USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 924 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 34 TYR OH : rot 129:sc= 0.985 USER MOD Set 1.2: A 105 GLN :FLIP amide:sc= 0.723 F(o=0.61,f=1.7) USER MOD Set 2.1: A 97 ASN : amide:sc= 0.807 K(o=1.7,f=-1.3) USER MOD Set 2.2: A 108 THR OG1 : rot -28:sc= 0.85 USER MOD Set 3.1: A 69 ASN : amide:sc= 1.07 K(o=3.3,f=-7.6!) USER MOD Set 3.2: A 74 LYS NZ :NH3+ -171:sc= 2.2 (180deg=0.902) USER MOD Set 4.1: A 56 GLN : amide:sc= 0.172 K(o=0.18,f=-0.84) USER MOD Set 4.2: A 59 GLN : amide:sc= 0.00619 X(o=0.18,f=0.15) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0133 (180deg=-0.205) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -163:sc= -0.125 (180deg=-0.637) USER MOD Single : A 6 THR OG1 : rot -25:sc= 0.277 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.127 F(o=-2.7!,f=-0.13) USER MOD Single : A 11 ASN :FLIP amide:sc= -0.0119 F(o=-0.91,f=-0.012) USER MOD Single : A 13 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.24) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 20 ASN : amide:sc= -0.503 X(o=-0.5,f=-0.1) USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0.0788 X(o=0.079,f=-0.25) USER MOD Single : A 31 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.2) USER MOD Single : A 32 ASN : amide:sc= -4.09! C(o=-4.1!,f=-4.4!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.1) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -73:sc= 0.334 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 71:sc= 1.27 USER MOD Single : A 61 GLN :FLIP amide:sc=-0.00185 F(o=-0.96,f=-0.0018) USER MOD Single : A 68 SER OG : rot 26:sc= 0.891 USER MOD Single : A 71 ASN : amide:sc= -0.457 K(o=-0.46,f=-1.6) USER MOD Single : A 72 THR OG1 : rot 15:sc= 0.879 USER MOD Single : A 78 MET CE :methyl -158:sc= -0.128 (180deg=-0.686) USER MOD Single : A 80 THR OG1 : rot 89:sc= 1.02 USER MOD Single : A 81 ASN : amide:sc= 1.17 K(o=1.2,f=-0.048) USER MOD Single : A 83 TYR OH : rot -110:sc= 1.02 USER MOD Single : A 89 ASN : amide:sc= -0.509 K(o=-0.51,f=-8.6!) USER MOD Single : A 93 GLN : amide:sc= 0.335 X(o=0.34,f=-0.029) USER MOD Single : A 95 GLN :FLIP amide:sc= -0.0132 F(o=-1.2,f=-0.013) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.0114 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 112 SER OG : rot 69:sc= 1.13 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 116 ASN : amide:sc= -0.361 K(o=-0.36,f=-3.6!) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc=-0.00175 X(o=-0.0018,f=0) USER MOD Single : A 123 HIS :FLIP no HE2:sc= -0.137 F(o=-1.1,f=-0.14) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 HIS : no HD1:sc= -0.0605 X(o=-0.061,f=0) USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=-0.00019) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 80.248 62.687 7.024 1.00 0.00 N ATOM 2 CA MET A 1 79.674 61.532 6.291 1.00 52.33 C ATOM 3 C MET A 1 79.262 60.440 7.265 1.00 71.33 C ATOM 4 O MET A 1 80.064 60.005 8.090 1.00 1.24 O ATOM 5 CB MET A 1 80.687 60.978 5.282 1.00 2.44 C ATOM 6 CG MET A 1 81.092 61.983 4.216 1.00 75.50 C ATOM 7 SD MET A 1 82.289 61.317 3.045 1.00 21.34 S ATOM 8 CE MET A 1 82.574 62.747 2.002 1.00 13.04 C ATOM 0 H1 MET A 1 80.321 63.503 6.384 1.00 0.00 H new ATOM 0 H2 MET A 1 79.632 62.930 7.826 1.00 0.00 H new ATOM 0 H3 MET A 1 81.194 62.439 7.377 1.00 0.00 H new ATOM 0 HA MET A 1 78.792 61.874 5.749 1.00 52.33 H new ATOM 0 HB2 MET A 1 81.578 60.649 5.817 1.00 2.44 H new ATOM 0 HB3 MET A 1 80.262 60.098 4.798 1.00 2.44 H new ATOM 0 HG2 MET A 1 80.204 62.309 3.675 1.00 75.50 H new ATOM 0 HG3 MET A 1 81.514 62.866 4.697 1.00 75.50 H new ATOM 0 HE1 MET A 1 83.295 62.493 1.225 1.00 13.04 H new ATOM 0 HE2 MET A 1 81.636 63.053 1.540 1.00 13.04 H new ATOM 0 HE3 MET A 1 82.965 63.566 2.606 1.00 13.04 H new ATOM 20 N ALA A 2 78.014 60.008 7.175 1.00 12.30 N ATOM 21 CA ALA A 2 77.494 58.992 8.073 1.00 21.34 C ATOM 22 C ALA A 2 76.503 58.099 7.342 1.00 14.20 C ATOM 23 O ALA A 2 76.150 58.363 6.191 1.00 72.13 O ATOM 24 CB ALA A 2 76.843 59.641 9.293 1.00 74.23 C ATOM 0 H ALA A 2 77.342 60.347 6.487 1.00 12.30 H new ATOM 0 HA ALA A 2 78.322 58.373 8.419 1.00 21.34 H new ATOM 0 HB1 ALA A 2 76.458 58.866 9.956 1.00 74.23 H new ATOM 0 HB2 ALA A 2 77.583 60.239 9.825 1.00 74.23 H new ATOM 0 HB3 ALA A 2 76.023 60.282 8.970 1.00 74.23 H new ATOM 30 N GLY A 3 76.064 57.043 8.007 1.00 50.23 N ATOM 31 CA GLY A 3 75.116 56.128 7.410 1.00 65.14 C ATOM 32 C GLY A 3 75.394 54.696 7.807 1.00 23.21 C ATOM 33 O GLY A 3 74.986 54.262 8.886 1.00 32.24 O ATOM 0 H GLY A 3 76.350 56.802 8.956 1.00 50.23 H new ATOM 0 HA2 GLY A 3 74.106 56.401 7.715 1.00 65.14 H new ATOM 0 HA3 GLY A 3 75.157 56.219 6.325 1.00 65.14 H new ATOM 37 N THR A 4 76.093 53.973 6.936 1.00 43.32 N ATOM 38 CA THR A 4 76.463 52.582 7.188 1.00 31.21 C ATOM 39 C THR A 4 75.219 51.724 7.454 1.00 2.41 C ATOM 40 O THR A 4 75.191 50.907 8.378 1.00 63.23 O ATOM 41 CB THR A 4 77.452 52.486 8.374 1.00 4.31 C ATOM 42 OG1 THR A 4 78.471 53.486 8.231 1.00 72.25 O ATOM 43 CG2 THR A 4 78.115 51.114 8.441 1.00 71.44 C ATOM 0 H THR A 4 76.418 54.333 6.039 1.00 43.32 H new ATOM 0 HA THR A 4 76.957 52.197 6.296 1.00 31.21 H new ATOM 0 HB THR A 4 76.887 52.643 9.293 1.00 4.31 H new ATOM 0 HG1 THR A 4 79.096 53.426 8.983 1.00 72.25 H new ATOM 0 HG21 THR A 4 78.803 51.083 9.286 1.00 71.44 H new ATOM 0 HG22 THR A 4 77.351 50.347 8.567 1.00 71.44 H new ATOM 0 HG23 THR A 4 78.665 50.930 7.518 1.00 71.44 H new ATOM 51 N MET A 5 74.192 51.918 6.627 1.00 11.31 N ATOM 52 CA MET A 5 72.942 51.170 6.745 1.00 75.43 C ATOM 53 C MET A 5 72.356 51.336 8.147 1.00 15.13 C ATOM 54 O MET A 5 72.233 50.378 8.910 1.00 24.32 O ATOM 55 CB MET A 5 73.173 49.690 6.418 1.00 22.24 C ATOM 56 CG MET A 5 71.898 48.873 6.307 1.00 23.44 C ATOM 57 SD MET A 5 72.220 47.117 6.034 1.00 11.43 S ATOM 58 CE MET A 5 73.127 47.168 4.489 1.00 45.42 C ATOM 0 H MET A 5 74.203 52.593 5.862 1.00 11.31 H new ATOM 0 HA MET A 5 72.225 51.567 6.027 1.00 75.43 H new ATOM 0 HB2 MET A 5 73.721 49.618 5.478 1.00 22.24 H new ATOM 0 HB3 MET A 5 73.806 49.253 7.190 1.00 22.24 H new ATOM 0 HG2 MET A 5 71.313 48.994 7.219 1.00 23.44 H new ATOM 0 HG3 MET A 5 71.293 49.260 5.487 1.00 23.44 H new ATOM 0 HE1 MET A 5 73.134 46.176 4.038 1.00 45.42 H new ATOM 0 HE2 MET A 5 72.648 47.872 3.809 1.00 45.42 H new ATOM 0 HE3 MET A 5 74.152 47.487 4.679 1.00 45.42 H new ATOM 68 N THR A 6 72.011 52.565 8.488 1.00 41.42 N ATOM 69 CA THR A 6 71.488 52.866 9.809 1.00 43.12 C ATOM 70 C THR A 6 69.975 52.660 9.842 1.00 64.43 C ATOM 71 O THR A 6 69.369 52.630 10.915 1.00 60.42 O ATOM 72 CB THR A 6 71.837 54.311 10.239 1.00 74.21 C ATOM 73 OG1 THR A 6 71.383 54.555 11.577 1.00 54.11 O ATOM 74 CG2 THR A 6 71.216 55.334 9.297 1.00 62.12 C ATOM 0 H THR A 6 72.084 53.372 7.868 1.00 41.42 H new ATOM 0 HA THR A 6 71.957 52.181 10.515 1.00 43.12 H new ATOM 0 HB THR A 6 72.921 54.416 10.197 1.00 74.21 H new ATOM 0 HG1 THR A 6 70.633 53.958 11.782 1.00 54.11 H new ATOM 0 HG21 THR A 6 71.480 56.339 9.626 1.00 62.12 H new ATOM 0 HG22 THR A 6 71.591 55.173 8.286 1.00 62.12 H new ATOM 0 HG23 THR A 6 70.132 55.223 9.303 1.00 62.12 H new ATOM 82 N PHE A 7 69.386 52.520 8.652 1.00 42.33 N ATOM 83 CA PHE A 7 67.950 52.278 8.490 1.00 74.33 C ATOM 84 C PHE A 7 67.116 53.496 8.878 1.00 63.13 C ATOM 85 O PHE A 7 67.596 54.428 9.527 1.00 64.35 O ATOM 86 CB PHE A 7 67.486 51.055 9.291 1.00 24.13 C ATOM 87 CG PHE A 7 68.048 49.754 8.796 1.00 71.12 C ATOM 88 CD1 PHE A 7 68.955 49.042 9.563 1.00 75.04 C ATOM 89 CD2 PHE A 7 67.666 49.244 7.567 1.00 54.44 C ATOM 90 CE1 PHE A 7 69.474 47.845 9.109 1.00 24.44 C ATOM 91 CE2 PHE A 7 68.181 48.049 7.108 1.00 13.11 C ATOM 92 CZ PHE A 7 69.086 47.347 7.881 1.00 63.23 C ATOM 0 H PHE A 7 69.894 52.572 7.769 1.00 42.33 H new ATOM 0 HA PHE A 7 67.793 52.080 7.430 1.00 74.33 H new ATOM 0 HB2 PHE A 7 67.769 51.188 10.335 1.00 24.13 H new ATOM 0 HB3 PHE A 7 66.398 51.004 9.260 1.00 24.13 H new ATOM 0 HD1 PHE A 7 69.259 49.426 10.525 1.00 75.04 H new ATOM 0 HD2 PHE A 7 66.957 49.788 6.961 1.00 54.44 H new ATOM 0 HE1 PHE A 7 70.183 47.299 9.714 1.00 24.44 H new ATOM 0 HE2 PHE A 7 67.877 47.663 6.146 1.00 13.11 H new ATOM 0 HZ PHE A 7 69.489 46.410 7.525 1.00 63.23 H new ATOM 102 N GLN A 8 65.862 53.477 8.458 1.00 31.11 N ATOM 103 CA GLN A 8 64.926 54.546 8.750 1.00 22.32 C ATOM 104 C GLN A 8 63.503 54.005 8.712 1.00 73.41 C ATOM 105 O GLN A 8 62.707 54.267 9.611 1.00 70.13 O ATOM 106 CB GLN A 8 65.085 55.680 7.733 1.00 44.31 C ATOM 107 CG GLN A 8 64.105 56.826 7.925 1.00 2.34 C ATOM 108 CD GLN A 8 64.262 57.893 6.863 1.00 35.43 C ATOM 109 OE1 GLN A 8 63.541 57.739 5.765 1.00 50.31 O flip ATOM 110 NE2 GLN A 8 65.025 58.844 7.025 1.00 14.45 N flip ATOM 0 H GLN A 8 65.465 52.718 7.904 1.00 31.11 H new ATOM 0 HA GLN A 8 65.133 54.939 9.745 1.00 22.32 H new ATOM 0 HB2 GLN A 8 66.101 56.070 7.795 1.00 44.31 H new ATOM 0 HB3 GLN A 8 64.961 55.274 6.729 1.00 44.31 H new ATOM 0 HG2 GLN A 8 63.086 56.439 7.902 1.00 2.34 H new ATOM 0 HG3 GLN A 8 64.255 57.270 8.909 1.00 2.34 H new ATOM 0 HE21 GLN A 8 65.563 58.925 7.888 1.00 14.45 H new ATOM 0 HE22 GLN A 8 65.120 59.552 6.297 1.00 14.45 H new ATOM 119 N PHE A 9 63.215 53.230 7.664 1.00 73.24 N ATOM 120 CA PHE A 9 61.894 52.649 7.438 1.00 4.13 C ATOM 121 C PHE A 9 60.832 53.732 7.294 1.00 32.53 C ATOM 122 O PHE A 9 60.178 54.114 8.261 1.00 20.24 O ATOM 123 CB PHE A 9 61.514 51.667 8.551 1.00 55.13 C ATOM 124 CG PHE A 9 62.373 50.435 8.579 1.00 3.12 C ATOM 125 CD1 PHE A 9 63.411 50.316 9.488 1.00 54.02 C ATOM 126 CD2 PHE A 9 62.147 49.397 7.688 1.00 53.11 C ATOM 127 CE1 PHE A 9 64.203 49.184 9.512 1.00 4.52 C ATOM 128 CE2 PHE A 9 62.934 48.263 7.707 1.00 31.40 C ATOM 129 CZ PHE A 9 63.964 48.158 8.618 1.00 63.11 C ATOM 0 H PHE A 9 63.897 52.988 6.945 1.00 73.24 H new ATOM 0 HA PHE A 9 61.942 52.093 6.502 1.00 4.13 H new ATOM 0 HB2 PHE A 9 61.587 52.174 9.513 1.00 55.13 H new ATOM 0 HB3 PHE A 9 60.472 51.372 8.425 1.00 55.13 H new ATOM 0 HD1 PHE A 9 63.604 51.117 10.186 1.00 54.02 H new ATOM 0 HD2 PHE A 9 61.345 49.477 6.970 1.00 53.11 H new ATOM 0 HE1 PHE A 9 65.007 49.101 10.228 1.00 4.52 H new ATOM 0 HE2 PHE A 9 62.744 47.460 7.010 1.00 31.40 H new ATOM 0 HZ PHE A 9 64.584 47.274 8.633 1.00 63.11 H new ATOM 139 N ARG A 10 60.683 54.235 6.080 1.00 62.51 N ATOM 140 CA ARG A 10 59.700 55.267 5.798 1.00 44.32 C ATOM 141 C ARG A 10 58.674 54.721 4.815 1.00 21.34 C ATOM 142 O ARG A 10 59.041 54.119 3.805 1.00 35.21 O ATOM 143 CB ARG A 10 60.388 56.502 5.214 1.00 21.20 C ATOM 144 CG ARG A 10 59.749 57.819 5.630 1.00 72.03 C ATOM 145 CD ARG A 10 59.894 58.057 7.125 1.00 53.43 C ATOM 146 NE ARG A 10 59.477 59.404 7.516 1.00 61.25 N ATOM 147 CZ ARG A 10 59.332 59.808 8.779 1.00 52.03 C ATOM 148 NH1 ARG A 10 59.561 58.969 9.784 1.00 11.40 N1+ ATOM 149 NH2 ARG A 10 58.976 61.063 9.033 1.00 60.33 N ATOM 0 H ARG A 10 61.233 53.944 5.271 1.00 62.51 H new ATOM 0 HA ARG A 10 59.199 55.557 6.722 1.00 44.32 H new ATOM 0 HB2 ARG A 10 61.433 56.503 5.523 1.00 21.20 H new ATOM 0 HB3 ARG A 10 60.377 56.432 4.126 1.00 21.20 H new ATOM 0 HG2 ARG A 10 60.213 58.639 5.083 1.00 72.03 H new ATOM 0 HG3 ARG A 10 58.693 57.814 5.361 1.00 72.03 H new ATOM 0 HD2 ARG A 10 59.298 57.323 7.667 1.00 53.43 H new ATOM 0 HD3 ARG A 10 60.933 57.902 7.416 1.00 53.43 H new ATOM 0 HE ARG A 10 59.285 60.078 6.775 1.00 61.25 H new ATOM 0 HH11 ARG A 10 59.850 58.010 9.592 1.00 11.40 H new ATOM 0 HH12 ARG A 10 59.448 59.284 10.747 1.00 11.40 H new ATOM 0 HH21 ARG A 10 58.815 61.713 8.264 1.00 60.33 H new ATOM 0 HH22 ARG A 10 58.864 61.376 9.997 1.00 60.33 H new ATOM 163 N ASN A 11 57.399 54.916 5.109 1.00 4.11 N ATOM 164 CA ASN A 11 56.337 54.376 4.271 1.00 44.33 C ATOM 165 C ASN A 11 55.314 55.454 3.936 1.00 62.55 C ATOM 166 O ASN A 11 54.326 55.631 4.653 1.00 3.33 O ATOM 167 CB ASN A 11 55.644 53.194 4.958 1.00 42.41 C ATOM 168 CG ASN A 11 54.650 52.492 4.049 1.00 62.50 C ATOM 169 OD1 ASN A 11 54.993 52.361 2.775 1.00 63.14 O flip ATOM 170 ND2 ASN A 11 53.590 52.045 4.494 1.00 43.24 N flip ATOM 0 H ASN A 11 57.073 55.443 5.919 1.00 4.11 H new ATOM 0 HA ASN A 11 56.791 54.022 3.346 1.00 44.33 H new ATOM 0 HB2 ASN A 11 56.397 52.478 5.289 1.00 42.41 H new ATOM 0 HB3 ASN A 11 55.128 53.549 5.850 1.00 42.41 H new ATOM 0 HD21 ASN A 11 53.360 52.165 5.480 1.00 43.24 H new ATOM 0 HD22 ASN A 11 52.943 51.555 3.876 1.00 43.24 H new ATOM 177 N PRO A 12 55.561 56.218 2.863 1.00 71.33 N ATOM 178 CA PRO A 12 54.657 57.282 2.427 1.00 34.14 C ATOM 179 C PRO A 12 53.394 56.730 1.771 1.00 51.42 C ATOM 180 O PRO A 12 53.388 55.600 1.266 1.00 63.23 O ATOM 181 CB PRO A 12 55.492 58.056 1.410 1.00 5.44 C ATOM 182 CG PRO A 12 56.431 57.044 0.854 1.00 13.40 C ATOM 183 CD PRO A 12 56.740 56.102 1.986 1.00 22.12 C ATOM 0 HA PRO A 12 54.304 57.890 3.260 1.00 34.14 H new ATOM 0 HB2 PRO A 12 54.866 58.489 0.629 1.00 5.44 H new ATOM 0 HB3 PRO A 12 56.029 58.879 1.881 1.00 5.44 H new ATOM 0 HG2 PRO A 12 55.981 56.513 0.016 1.00 13.40 H new ATOM 0 HG3 PRO A 12 57.339 57.517 0.481 1.00 13.40 H new ATOM 0 HD2 PRO A 12 56.877 55.080 1.632 1.00 22.12 H new ATOM 0 HD3 PRO A 12 57.656 56.385 2.505 1.00 22.12 H new ATOM 191 N ASN A 13 52.335 57.538 1.793 1.00 41.30 N ATOM 192 CA ASN A 13 51.037 57.184 1.212 1.00 75.43 C ATOM 193 C ASN A 13 50.333 56.123 2.061 1.00 53.44 C ATOM 194 O ASN A 13 50.978 55.352 2.774 1.00 60.03 O ATOM 195 CB ASN A 13 51.186 56.724 -0.249 1.00 5.35 C ATOM 196 CG ASN A 13 49.853 56.588 -0.960 1.00 12.51 C ATOM 197 OD1 ASN A 13 49.264 55.511 -1.001 1.00 74.54 O ATOM 198 ND2 ASN A 13 49.364 57.685 -1.515 1.00 31.22 N ATOM 0 H ASN A 13 52.352 58.465 2.218 1.00 41.30 H new ATOM 0 HA ASN A 13 50.414 58.079 1.210 1.00 75.43 H new ATOM 0 HB2 ASN A 13 51.809 57.437 -0.788 1.00 5.35 H new ATOM 0 HB3 ASN A 13 51.705 55.766 -0.273 1.00 5.35 H new ATOM 0 HD21 ASN A 13 48.467 57.655 -1.999 1.00 31.22 H new ATOM 0 HD22 ASN A 13 49.884 58.560 -1.459 1.00 31.22 H new ATOM 205 N PHE A 14 49.009 56.099 2.002 1.00 62.35 N ATOM 206 CA PHE A 14 48.222 55.216 2.851 1.00 0.14 C ATOM 207 C PHE A 14 47.837 53.934 2.117 1.00 75.23 C ATOM 208 O PHE A 14 47.987 53.832 0.900 1.00 23.43 O ATOM 209 CB PHE A 14 46.963 55.941 3.347 1.00 41.22 C ATOM 210 CG PHE A 14 46.047 56.411 2.249 1.00 21.33 C ATOM 211 CD1 PHE A 14 44.979 55.630 1.838 1.00 5.43 C ATOM 212 CD2 PHE A 14 46.245 57.638 1.635 1.00 23.12 C ATOM 213 CE1 PHE A 14 44.130 56.060 0.837 1.00 32.32 C ATOM 214 CE2 PHE A 14 45.399 58.072 0.634 1.00 54.41 C ATOM 215 CZ PHE A 14 44.341 57.282 0.235 1.00 3.14 C ATOM 0 H PHE A 14 48.456 56.682 1.374 1.00 62.35 H new ATOM 0 HA PHE A 14 48.837 54.940 3.708 1.00 0.14 H new ATOM 0 HB2 PHE A 14 46.409 55.273 4.006 1.00 41.22 H new ATOM 0 HB3 PHE A 14 47.265 56.801 3.946 1.00 41.22 H new ATOM 0 HD1 PHE A 14 44.808 54.672 2.307 1.00 5.43 H new ATOM 0 HD2 PHE A 14 47.071 58.262 1.943 1.00 23.12 H new ATOM 0 HE1 PHE A 14 43.302 55.440 0.526 1.00 32.32 H new ATOM 0 HE2 PHE A 14 45.566 59.030 0.163 1.00 54.41 H new ATOM 0 HZ PHE A 14 43.679 57.620 -0.548 1.00 3.14 H new ATOM 225 N GLY A 15 47.334 52.963 2.862 1.00 54.15 N ATOM 226 CA GLY A 15 46.931 51.704 2.271 1.00 71.23 C ATOM 227 C GLY A 15 45.449 51.670 1.977 1.00 65.22 C ATOM 228 O GLY A 15 44.679 51.020 2.688 1.00 42.44 O ATOM 0 H GLY A 15 47.197 53.024 3.871 1.00 54.15 H new ATOM 0 HA2 GLY A 15 47.488 51.541 1.349 1.00 71.23 H new ATOM 0 HA3 GLY A 15 47.186 50.887 2.946 1.00 71.23 H new ATOM 232 N GLY A 16 45.048 52.371 0.931 1.00 14.53 N ATOM 233 CA GLY A 16 43.648 52.439 0.581 1.00 0.24 C ATOM 234 C GLY A 16 43.394 52.058 -0.857 1.00 22.35 C ATOM 235 O GLY A 16 42.580 52.691 -1.532 1.00 73.33 O ATOM 0 H GLY A 16 45.670 52.896 0.316 1.00 14.53 H new ATOM 0 HA2 GLY A 16 43.081 51.777 1.235 1.00 0.24 H new ATOM 0 HA3 GLY A 16 43.282 53.451 0.756 1.00 0.24 H new ATOM 239 N ASN A 17 44.088 51.015 -1.313 1.00 43.33 N ATOM 240 CA ASN A 17 43.970 50.504 -2.684 1.00 1.12 C ATOM 241 C ASN A 17 44.503 51.512 -3.707 1.00 62.33 C ATOM 242 O ASN A 17 44.582 52.712 -3.436 1.00 61.32 O ATOM 243 CB ASN A 17 42.512 50.144 -3.023 1.00 21.55 C ATOM 244 CG ASN A 17 41.972 48.998 -2.185 1.00 72.14 C ATOM 245 OD1 ASN A 17 42.144 47.830 -2.530 1.00 51.22 O ATOM 246 ND2 ASN A 17 41.293 49.320 -1.094 1.00 0.34 N ATOM 0 H ASN A 17 44.753 50.496 -0.740 1.00 43.33 H new ATOM 0 HA ASN A 17 44.577 49.600 -2.738 1.00 1.12 H new ATOM 0 HB2 ASN A 17 41.883 51.022 -2.875 1.00 21.55 H new ATOM 0 HB3 ASN A 17 42.445 49.878 -4.078 1.00 21.55 H new ATOM 0 HD21 ASN A 17 40.892 48.588 -0.508 1.00 0.34 H new ATOM 0 HD22 ASN A 17 41.171 50.300 -0.840 1.00 0.34 H new ATOM 253 N PRO A 18 44.900 51.032 -4.902 1.00 24.35 N ATOM 254 CA PRO A 18 45.368 51.900 -5.986 1.00 21.23 C ATOM 255 C PRO A 18 44.222 52.651 -6.663 1.00 14.44 C ATOM 256 O PRO A 18 43.926 52.438 -7.843 1.00 61.41 O ATOM 257 CB PRO A 18 46.027 50.924 -6.960 1.00 45.30 C ATOM 258 CG PRO A 18 45.325 49.629 -6.736 1.00 32.23 C ATOM 259 CD PRO A 18 44.941 49.604 -5.280 1.00 15.21 C ATOM 0 HA PRO A 18 46.040 52.679 -5.627 1.00 21.23 H new ATOM 0 HB2 PRO A 18 45.917 51.260 -7.991 1.00 45.30 H new ATOM 0 HB3 PRO A 18 47.096 50.833 -6.766 1.00 45.30 H new ATOM 0 HG2 PRO A 18 44.444 49.549 -7.372 1.00 32.23 H new ATOM 0 HG3 PRO A 18 45.973 48.788 -6.982 1.00 32.23 H new ATOM 0 HD2 PRO A 18 43.975 49.122 -5.129 1.00 15.21 H new ATOM 0 HD3 PRO A 18 45.668 49.053 -4.684 1.00 15.21 H new ATOM 267 N ASN A 19 43.574 53.518 -5.901 1.00 23.42 N ATOM 268 CA ASN A 19 42.469 54.321 -6.401 1.00 64.52 C ATOM 269 C ASN A 19 42.206 55.497 -5.466 1.00 63.24 C ATOM 270 O ASN A 19 41.631 55.335 -4.391 1.00 74.52 O ATOM 271 CB ASN A 19 41.204 53.464 -6.555 1.00 34.52 C ATOM 272 CG ASN A 19 39.989 54.286 -6.944 1.00 65.20 C ATOM 273 OD1 ASN A 19 39.226 54.732 -6.085 1.00 30.24 O ATOM 274 ND2 ASN A 19 39.799 54.493 -8.238 1.00 44.43 N ATOM 0 H ASN A 19 43.799 53.685 -4.920 1.00 23.42 H new ATOM 0 HA ASN A 19 42.740 54.710 -7.383 1.00 64.52 H new ATOM 0 HB2 ASN A 19 41.378 52.698 -7.311 1.00 34.52 H new ATOM 0 HB3 ASN A 19 41.003 52.946 -5.617 1.00 34.52 H new ATOM 0 HD21 ASN A 19 38.998 55.039 -8.555 1.00 44.43 H new ATOM 0 HD22 ASN A 19 40.454 54.107 -8.918 1.00 44.43 H new ATOM 281 N ASN A 20 42.669 56.673 -5.861 1.00 0.34 N ATOM 282 CA ASN A 20 42.440 57.882 -5.085 1.00 2.02 C ATOM 283 C ASN A 20 42.426 59.096 -5.999 1.00 40.34 C ATOM 284 O ASN A 20 41.488 59.891 -5.983 1.00 74.24 O ATOM 285 CB ASN A 20 43.523 58.053 -4.018 1.00 1.51 C ATOM 286 CG ASN A 20 43.254 59.235 -3.104 1.00 51.11 C ATOM 287 OD1 ASN A 20 43.679 60.360 -3.372 1.00 52.43 O ATOM 288 ND2 ASN A 20 42.545 58.984 -2.017 1.00 2.01 N ATOM 0 H ASN A 20 43.207 56.816 -6.716 1.00 0.34 H new ATOM 0 HA ASN A 20 41.473 57.792 -4.591 1.00 2.02 H new ATOM 0 HB2 ASN A 20 43.588 57.143 -3.421 1.00 1.51 H new ATOM 0 HB3 ASN A 20 44.490 58.185 -4.504 1.00 1.51 H new ATOM 0 HD21 ASN A 20 42.331 59.737 -1.363 1.00 2.01 H new ATOM 0 HD22 ASN A 20 42.212 58.038 -1.833 1.00 2.01 H new ATOM 295 N GLY A 21 43.463 59.215 -6.810 1.00 62.44 N ATOM 296 CA GLY A 21 43.582 60.339 -7.710 1.00 13.55 C ATOM 297 C GLY A 21 45.008 60.516 -8.177 1.00 0.45 C ATOM 298 O GLY A 21 45.847 61.046 -7.447 1.00 25.41 O ATOM 0 H GLY A 21 44.231 58.546 -6.861 1.00 62.44 H new ATOM 0 HA2 GLY A 21 42.930 60.190 -8.571 1.00 13.55 H new ATOM 0 HA3 GLY A 21 43.245 61.247 -7.209 1.00 13.55 H new ATOM 302 N ALA A 22 45.291 60.062 -9.388 1.00 11.14 N ATOM 303 CA ALA A 22 46.653 60.074 -9.898 1.00 24.15 C ATOM 304 C ALA A 22 46.706 60.491 -11.362 1.00 21.32 C ATOM 305 O ALA A 22 47.772 60.855 -11.867 1.00 64.10 O ATOM 306 CB ALA A 22 47.289 58.702 -9.723 1.00 21.11 C ATOM 0 H ALA A 22 44.599 59.682 -10.034 1.00 11.14 H new ATOM 0 HA ALA A 22 47.214 60.811 -9.323 1.00 24.15 H new ATOM 0 HB1 ALA A 22 48.309 58.722 -10.108 1.00 21.11 H new ATOM 0 HB2 ALA A 22 47.306 58.441 -8.665 1.00 21.11 H new ATOM 0 HB3 ALA A 22 46.709 57.959 -10.271 1.00 21.11 H new ATOM 312 N PHE A 23 45.551 60.454 -12.030 1.00 32.04 N ATOM 313 CA PHE A 23 45.472 60.715 -13.465 1.00 53.22 C ATOM 314 C PHE A 23 46.358 59.731 -14.221 1.00 65.32 C ATOM 315 O PHE A 23 47.374 60.105 -14.810 1.00 62.34 O ATOM 316 CB PHE A 23 45.875 62.160 -13.793 1.00 65.22 C ATOM 317 CG PHE A 23 44.999 63.195 -13.144 1.00 71.25 C ATOM 318 CD1 PHE A 23 45.374 63.794 -11.952 1.00 53.43 C ATOM 319 CD2 PHE A 23 43.800 63.572 -13.728 1.00 21.43 C ATOM 320 CE1 PHE A 23 44.570 64.748 -11.356 1.00 0.12 C ATOM 321 CE2 PHE A 23 42.992 64.524 -13.136 1.00 3.24 C ATOM 322 CZ PHE A 23 43.378 65.113 -11.949 1.00 64.54 C ATOM 0 H PHE A 23 44.653 60.244 -11.594 1.00 32.04 H new ATOM 0 HA PHE A 23 44.437 60.580 -13.780 1.00 53.22 H new ATOM 0 HB2 PHE A 23 46.906 62.320 -13.478 1.00 65.22 H new ATOM 0 HB3 PHE A 23 45.847 62.299 -14.874 1.00 65.22 H new ATOM 0 HD1 PHE A 23 46.305 63.512 -11.483 1.00 53.43 H new ATOM 0 HD2 PHE A 23 43.493 63.116 -14.658 1.00 21.43 H new ATOM 0 HE1 PHE A 23 44.874 65.207 -10.427 1.00 0.12 H new ATOM 0 HE2 PHE A 23 42.059 64.807 -13.602 1.00 3.24 H new ATOM 0 HZ PHE A 23 42.749 65.858 -11.485 1.00 64.54 H new ATOM 332 N LEU A 24 45.985 58.464 -14.171 1.00 53.34 N ATOM 333 CA LEU A 24 46.753 57.424 -14.826 1.00 51.34 C ATOM 334 C LEU A 24 46.302 57.273 -16.268 1.00 45.44 C ATOM 335 O LEU A 24 45.320 56.588 -16.557 1.00 10.11 O ATOM 336 CB LEU A 24 46.610 56.094 -14.081 1.00 62.32 C ATOM 337 CG LEU A 24 47.412 54.928 -14.665 1.00 3.14 C ATOM 338 CD1 LEU A 24 48.902 55.221 -14.615 1.00 23.03 C ATOM 339 CD2 LEU A 24 47.093 53.641 -13.919 1.00 11.23 C ATOM 0 H LEU A 24 45.153 58.132 -13.682 1.00 53.34 H new ATOM 0 HA LEU A 24 47.805 57.710 -14.813 1.00 51.34 H new ATOM 0 HB2 LEU A 24 46.916 56.242 -13.045 1.00 62.32 H new ATOM 0 HB3 LEU A 24 45.556 55.817 -14.065 1.00 62.32 H new ATOM 0 HG LEU A 24 47.127 54.803 -15.710 1.00 3.14 H new ATOM 0 HD11 LEU A 24 49.453 54.379 -15.035 1.00 23.03 H new ATOM 0 HD12 LEU A 24 49.116 56.120 -15.194 1.00 23.03 H new ATOM 0 HD13 LEU A 24 49.208 55.375 -13.580 1.00 23.03 H new ATOM 0 HD21 LEU A 24 47.671 52.821 -14.345 1.00 11.23 H new ATOM 0 HD22 LEU A 24 47.350 53.757 -12.866 1.00 11.23 H new ATOM 0 HD23 LEU A 24 46.029 53.422 -14.010 1.00 11.23 H new ATOM 351 N LEU A 25 46.997 57.949 -17.164 1.00 14.23 N ATOM 352 CA LEU A 25 46.675 57.883 -18.575 1.00 22.42 C ATOM 353 C LEU A 25 47.846 57.319 -19.360 1.00 42.44 C ATOM 354 O LEU A 25 47.772 56.208 -19.887 1.00 41.32 O ATOM 355 CB LEU A 25 46.311 59.271 -19.109 1.00 52.44 C ATOM 356 CG LEU A 25 45.108 59.942 -18.438 1.00 3.52 C ATOM 357 CD1 LEU A 25 44.907 61.343 -18.992 1.00 35.34 C ATOM 358 CD2 LEU A 25 43.850 59.108 -18.634 1.00 34.05 C ATOM 0 H LEU A 25 47.789 58.551 -16.938 1.00 14.23 H new ATOM 0 HA LEU A 25 45.816 57.223 -18.698 1.00 22.42 H new ATOM 0 HB2 LEU A 25 47.177 59.923 -18.997 1.00 52.44 H new ATOM 0 HB3 LEU A 25 46.110 59.189 -20.177 1.00 52.44 H new ATOM 0 HG LEU A 25 45.307 60.016 -17.369 1.00 3.52 H new ATOM 0 HD11 LEU A 25 44.049 61.807 -18.506 1.00 35.34 H new ATOM 0 HD12 LEU A 25 45.799 61.941 -18.802 1.00 35.34 H new ATOM 0 HD13 LEU A 25 44.729 61.288 -20.066 1.00 35.34 H new ATOM 0 HD21 LEU A 25 43.007 59.602 -18.150 1.00 34.05 H new ATOM 0 HD22 LEU A 25 43.646 59.002 -19.699 1.00 34.05 H new ATOM 0 HD23 LEU A 25 43.995 58.122 -18.193 1.00 34.05 H new ATOM 370 N ASN A 26 48.937 58.083 -19.397 1.00 73.20 N ATOM 371 CA ASN A 26 50.105 57.748 -20.205 1.00 60.40 C ATOM 372 C ASN A 26 49.706 57.609 -21.668 1.00 55.24 C ATOM 373 O ASN A 26 49.556 56.502 -22.191 1.00 70.31 O ATOM 374 CB ASN A 26 50.791 56.469 -19.712 1.00 52.12 C ATOM 375 CG ASN A 26 52.083 56.181 -20.456 1.00 31.52 C ATOM 376 OD1 ASN A 26 52.768 57.097 -20.915 1.00 61.41 O ATOM 377 ND2 ASN A 26 52.431 54.909 -20.565 1.00 0.40 N ATOM 0 H ASN A 26 49.034 58.950 -18.868 1.00 73.20 H new ATOM 0 HA ASN A 26 50.824 58.561 -20.105 1.00 60.40 H new ATOM 0 HB2 ASN A 26 51.001 56.560 -18.646 1.00 52.12 H new ATOM 0 HB3 ASN A 26 50.111 55.626 -19.831 1.00 52.12 H new ATOM 0 HD21 ASN A 26 53.296 54.656 -21.044 1.00 0.40 H new ATOM 0 HD22 ASN A 26 51.835 54.182 -20.170 1.00 0.40 H new ATOM 384 N SER A 27 49.495 58.744 -22.316 1.00 41.42 N ATOM 385 CA SER A 27 49.045 58.755 -23.694 1.00 71.35 C ATOM 386 C SER A 27 50.195 58.449 -24.645 1.00 32.44 C ATOM 387 O SER A 27 50.868 59.352 -25.141 1.00 10.41 O ATOM 388 CB SER A 27 48.402 60.097 -24.037 1.00 30.22 C ATOM 389 OG SER A 27 47.307 60.367 -23.174 1.00 62.34 O ATOM 0 H SER A 27 49.629 59.669 -21.907 1.00 41.42 H new ATOM 0 HA SER A 27 48.294 57.974 -23.812 1.00 71.35 H new ATOM 0 HB2 SER A 27 49.142 60.892 -23.952 1.00 30.22 H new ATOM 0 HB3 SER A 27 48.061 60.088 -25.072 1.00 30.22 H new ATOM 0 HG SER A 27 46.910 61.232 -23.409 1.00 62.34 H new ATOM 395 N ALA A 28 50.443 57.164 -24.842 1.00 11.40 N ATOM 396 CA ALA A 28 51.433 56.704 -25.801 1.00 74.12 C ATOM 397 C ALA A 28 50.736 56.208 -27.060 1.00 32.20 C ATOM 398 O ALA A 28 49.507 56.120 -27.098 1.00 40.33 O ATOM 399 CB ALA A 28 52.292 55.605 -25.190 1.00 11.11 C ATOM 0 H ALA A 28 49.965 56.413 -24.343 1.00 11.40 H new ATOM 0 HA ALA A 28 52.087 57.535 -26.067 1.00 74.12 H new ATOM 0 HB1 ALA A 28 53.029 55.271 -25.920 1.00 11.11 H new ATOM 0 HB2 ALA A 28 52.804 55.991 -24.309 1.00 11.11 H new ATOM 0 HB3 ALA A 28 51.659 54.765 -24.903 1.00 11.11 H new ATOM 405 N GLN A 29 51.510 55.877 -28.080 1.00 51.32 N ATOM 406 CA GLN A 29 50.939 55.440 -29.346 1.00 50.44 C ATOM 407 C GLN A 29 50.549 53.966 -29.287 1.00 51.32 C ATOM 408 O GLN A 29 49.455 53.592 -29.715 1.00 65.31 O ATOM 409 CB GLN A 29 51.924 55.688 -30.489 1.00 25.01 C ATOM 410 CG GLN A 29 51.348 55.390 -31.863 1.00 22.41 C ATOM 411 CD GLN A 29 50.072 56.160 -32.141 1.00 13.34 C ATOM 412 OE1 GLN A 29 50.102 57.280 -32.651 1.00 43.24 O ATOM 413 NE2 GLN A 29 48.938 55.565 -31.805 1.00 45.43 N ATOM 0 H GLN A 29 52.529 55.902 -28.059 1.00 51.32 H new ATOM 0 HA GLN A 29 50.036 56.022 -29.532 1.00 50.44 H new ATOM 0 HB2 GLN A 29 52.249 56.728 -30.458 1.00 25.01 H new ATOM 0 HB3 GLN A 29 52.810 55.072 -30.334 1.00 25.01 H new ATOM 0 HG2 GLN A 29 52.089 55.635 -32.624 1.00 22.41 H new ATOM 0 HG3 GLN A 29 51.148 54.322 -31.945 1.00 22.41 H new ATOM 0 HE21 GLN A 29 48.955 54.636 -31.384 1.00 45.43 H new ATOM 0 HE22 GLN A 29 48.048 56.036 -31.967 1.00 45.43 H new ATOM 422 N ALA A 30 51.457 53.147 -28.751 1.00 32.35 N ATOM 423 CA ALA A 30 51.249 51.703 -28.608 1.00 75.25 C ATOM 424 C ALA A 30 51.214 51.001 -29.966 1.00 2.24 C ATOM 425 O ALA A 30 51.107 51.641 -31.016 1.00 44.53 O ATOM 426 CB ALA A 30 49.981 51.406 -27.811 1.00 53.52 C ATOM 0 H ALA A 30 52.361 53.467 -28.403 1.00 32.35 H new ATOM 0 HA ALA A 30 52.100 51.307 -28.054 1.00 75.25 H new ATOM 0 HB1 ALA A 30 49.852 50.327 -27.721 1.00 53.52 H new ATOM 0 HB2 ALA A 30 50.065 51.846 -26.817 1.00 53.52 H new ATOM 0 HB3 ALA A 30 49.120 51.833 -28.325 1.00 53.52 H new ATOM 432 N GLN A 31 51.313 49.680 -29.942 1.00 62.43 N ATOM 433 CA GLN A 31 51.329 48.900 -31.166 1.00 45.15 C ATOM 434 C GLN A 31 50.067 48.053 -31.285 1.00 11.34 C ATOM 435 O GLN A 31 49.083 48.477 -31.897 1.00 33.30 O ATOM 436 CB GLN A 31 52.567 47.998 -31.218 1.00 15.14 C ATOM 437 CG GLN A 31 53.885 48.753 -31.294 1.00 52.33 C ATOM 438 CD GLN A 31 53.970 49.648 -32.513 1.00 4.22 C ATOM 439 OE1 GLN A 31 53.645 50.835 -32.459 1.00 75.53 O ATOM 440 NE2 GLN A 31 54.383 49.077 -33.631 1.00 5.45 N ATOM 0 H GLN A 31 51.383 49.128 -29.087 1.00 62.43 H new ATOM 0 HA GLN A 31 51.365 49.596 -32.004 1.00 45.15 H new ATOM 0 HB2 GLN A 31 52.576 47.361 -30.333 1.00 15.14 H new ATOM 0 HB3 GLN A 31 52.487 47.340 -32.083 1.00 15.14 H new ATOM 0 HG2 GLN A 31 54.007 49.357 -30.395 1.00 52.33 H new ATOM 0 HG3 GLN A 31 54.709 48.039 -31.313 1.00 52.33 H new ATOM 0 HE21 GLN A 31 54.643 48.091 -33.634 1.00 5.45 H new ATOM 0 HE22 GLN A 31 54.442 49.623 -34.491 1.00 5.45 H new ATOM 449 N ASN A 32 50.103 46.870 -30.667 1.00 32.35 N ATOM 450 CA ASN A 32 49.001 45.908 -30.732 1.00 60.00 C ATOM 451 C ASN A 32 48.730 45.500 -32.191 1.00 24.31 C ATOM 452 O ASN A 32 49.484 45.859 -33.097 1.00 12.35 O ATOM 453 CB ASN A 32 47.743 46.494 -30.067 1.00 55.23 C ATOM 454 CG ASN A 32 46.667 45.454 -29.816 1.00 52.21 C ATOM 455 OD1 ASN A 32 46.956 44.271 -29.667 1.00 64.01 O ATOM 456 ND2 ASN A 32 45.421 45.889 -29.755 1.00 12.22 N ATOM 0 H ASN A 32 50.895 46.553 -30.109 1.00 32.35 H new ATOM 0 HA ASN A 32 49.281 45.009 -30.183 1.00 60.00 H new ATOM 0 HB2 ASN A 32 48.021 46.957 -29.120 1.00 55.23 H new ATOM 0 HB3 ASN A 32 47.338 47.283 -30.701 1.00 55.23 H new ATOM 0 HD21 ASN A 32 44.660 45.233 -29.579 1.00 12.22 H new ATOM 0 HD22 ASN A 32 45.220 46.881 -29.884 1.00 12.22 H new ATOM 463 N SER A 33 47.687 44.721 -32.414 1.00 43.41 N ATOM 464 CA SER A 33 47.318 44.309 -33.756 1.00 24.32 C ATOM 465 C SER A 33 45.881 44.711 -34.067 1.00 0.13 C ATOM 466 O SER A 33 44.936 44.083 -33.592 1.00 23.01 O ATOM 467 CB SER A 33 47.497 42.798 -33.905 1.00 74.21 C ATOM 468 OG SER A 33 48.823 42.416 -33.567 1.00 5.52 O ATOM 0 H SER A 33 47.078 44.360 -31.680 1.00 43.41 H new ATOM 0 HA SER A 33 47.971 44.813 -34.468 1.00 24.32 H new ATOM 0 HB2 SER A 33 46.788 42.277 -33.262 1.00 74.21 H new ATOM 0 HB3 SER A 33 47.277 42.500 -34.930 1.00 74.21 H new ATOM 0 HG SER A 33 48.919 41.446 -33.666 1.00 5.52 H new ATOM 474 N TYR A 34 45.733 45.803 -34.816 1.00 44.31 N ATOM 475 CA TYR A 34 44.430 46.264 -35.292 1.00 61.24 C ATOM 476 C TYR A 34 43.585 46.726 -34.108 1.00 73.24 C ATOM 477 O TYR A 34 42.363 46.677 -34.150 1.00 62.43 O ATOM 478 CB TYR A 34 43.725 45.148 -36.079 1.00 13.13 C ATOM 479 CG TYR A 34 42.619 45.637 -36.988 1.00 74.24 C ATOM 480 CD1 TYR A 34 42.903 46.442 -38.083 1.00 25.42 C ATOM 481 CD2 TYR A 34 41.295 45.289 -36.755 1.00 64.13 C ATOM 482 CE1 TYR A 34 41.900 46.888 -38.920 1.00 53.30 C ATOM 483 CE2 TYR A 34 40.285 45.733 -37.589 1.00 70.13 C ATOM 484 CZ TYR A 34 40.594 46.531 -38.669 1.00 21.34 C ATOM 485 OH TYR A 34 39.593 46.978 -39.503 1.00 74.43 O ATOM 0 H TYR A 34 46.512 46.392 -35.109 1.00 44.31 H new ATOM 0 HA TYR A 34 44.568 47.109 -35.966 1.00 61.24 H new ATOM 0 HB2 TYR A 34 44.465 44.617 -36.678 1.00 13.13 H new ATOM 0 HB3 TYR A 34 43.310 44.428 -35.374 1.00 13.13 H new ATOM 0 HD1 TYR A 34 43.926 46.724 -38.283 1.00 25.42 H new ATOM 0 HD2 TYR A 34 41.050 44.662 -35.910 1.00 64.13 H new ATOM 0 HE1 TYR A 34 42.138 47.514 -39.767 1.00 53.30 H new ATOM 0 HE2 TYR A 34 39.259 45.456 -37.395 1.00 70.13 H new ATOM 0 HH TYR A 34 39.045 46.219 -39.793 1.00 74.43 H new ATOM 495 N LYS A 35 44.290 47.169 -33.058 1.00 52.32 N ATOM 496 CA LYS A 35 43.719 47.678 -31.796 1.00 32.34 C ATOM 497 C LYS A 35 42.658 46.749 -31.178 1.00 3.52 C ATOM 498 O LYS A 35 41.981 47.120 -30.218 1.00 34.43 O ATOM 499 CB LYS A 35 43.200 49.130 -31.936 1.00 4.45 C ATOM 500 CG LYS A 35 41.731 49.289 -32.321 1.00 64.01 C ATOM 501 CD LYS A 35 41.541 49.355 -33.824 1.00 53.33 C ATOM 502 CE LYS A 35 40.080 49.503 -34.209 1.00 71.43 C ATOM 503 NZ LYS A 35 39.861 49.173 -35.640 1.00 25.44 N1+ ATOM 0 H LYS A 35 45.310 47.185 -33.061 1.00 52.32 H new ATOM 0 HA LYS A 35 44.548 47.692 -31.088 1.00 32.34 H new ATOM 0 HB2 LYS A 35 43.363 49.644 -30.989 1.00 4.45 H new ATOM 0 HB3 LYS A 35 43.807 49.640 -32.684 1.00 4.45 H new ATOM 0 HG2 LYS A 35 41.159 48.453 -31.920 1.00 64.01 H new ATOM 0 HG3 LYS A 35 41.333 50.196 -31.865 1.00 64.01 H new ATOM 0 HD2 LYS A 35 42.108 50.196 -34.224 1.00 53.33 H new ATOM 0 HD3 LYS A 35 41.946 48.452 -34.280 1.00 53.33 H new ATOM 0 HE2 LYS A 35 39.470 48.849 -33.586 1.00 71.43 H new ATOM 0 HE3 LYS A 35 39.753 50.525 -34.015 1.00 71.43 H new ATOM 0 HZ1 LYS A 35 38.853 49.284 -35.872 1.00 25.44 H new ATOM 0 HZ2 LYS A 35 40.425 49.813 -36.234 1.00 25.44 H new ATOM 0 HZ3 LYS A 35 40.151 48.190 -35.818 1.00 25.44 H new ATOM 517 N ASP A 36 42.576 45.527 -31.687 1.00 74.53 N ATOM 518 CA ASP A 36 41.681 44.511 -31.147 1.00 12.22 C ATOM 519 C ASP A 36 42.500 43.306 -30.700 1.00 2.12 C ATOM 520 O ASP A 36 43.660 43.173 -31.092 1.00 1.02 O ATOM 521 CB ASP A 36 40.642 44.088 -32.197 1.00 13.10 C ATOM 522 CG ASP A 36 39.426 44.997 -32.230 1.00 53.20 C ATOM 523 OD1 ASP A 36 38.420 44.673 -31.560 1.00 0.23 O ATOM 524 OD2 ASP A 36 39.460 46.027 -32.937 1.00 61.43 O1- ATOM 0 H ASP A 36 43.127 45.212 -32.485 1.00 74.53 H new ATOM 0 HA ASP A 36 41.147 44.926 -30.292 1.00 12.22 H new ATOM 0 HB2 ASP A 36 41.110 44.082 -33.181 1.00 13.10 H new ATOM 0 HB3 ASP A 36 40.320 43.067 -31.991 1.00 13.10 H new ATOM 529 N PRO A 37 41.931 42.431 -29.852 1.00 13.20 N ATOM 530 CA PRO A 37 42.614 41.214 -29.388 1.00 63.51 C ATOM 531 C PRO A 37 43.155 40.366 -30.540 1.00 54.33 C ATOM 532 O PRO A 37 42.540 40.278 -31.604 1.00 45.11 O ATOM 533 CB PRO A 37 41.514 40.462 -28.639 1.00 21.24 C ATOM 534 CG PRO A 37 40.583 41.525 -28.177 1.00 41.34 C ATOM 535 CD PRO A 37 40.587 42.567 -29.260 1.00 70.22 C ATOM 0 HA PRO A 37 43.488 41.444 -28.779 1.00 63.51 H new ATOM 0 HB2 PRO A 37 41.009 39.747 -29.289 1.00 21.24 H new ATOM 0 HB3 PRO A 37 41.920 39.898 -27.799 1.00 21.24 H new ATOM 0 HG2 PRO A 37 39.581 41.127 -28.020 1.00 41.34 H new ATOM 0 HG3 PRO A 37 40.911 41.947 -27.227 1.00 41.34 H new ATOM 0 HD2 PRO A 37 39.803 42.387 -29.995 1.00 70.22 H new ATOM 0 HD3 PRO A 37 40.423 43.567 -28.858 1.00 70.22 H new ATOM 543 N SER A 38 44.304 39.743 -30.320 1.00 14.04 N ATOM 544 CA SER A 38 44.978 38.990 -31.365 1.00 55.00 C ATOM 545 C SER A 38 44.454 37.554 -31.467 1.00 15.51 C ATOM 546 O SER A 38 43.621 37.255 -32.324 1.00 61.15 O ATOM 547 CB SER A 38 46.485 38.993 -31.114 1.00 62.11 C ATOM 548 OG SER A 38 46.962 40.317 -30.927 1.00 2.22 O ATOM 0 H SER A 38 44.790 39.745 -29.423 1.00 14.04 H new ATOM 0 HA SER A 38 44.767 39.477 -32.317 1.00 55.00 H new ATOM 0 HB2 SER A 38 46.713 38.392 -30.234 1.00 62.11 H new ATOM 0 HB3 SER A 38 47.000 38.532 -31.957 1.00 62.11 H new ATOM 0 HG SER A 38 47.928 40.297 -30.766 1.00 2.22 H new ATOM 554 N TYR A 39 44.927 36.668 -30.589 1.00 43.44 N ATOM 555 CA TYR A 39 44.586 35.251 -30.684 1.00 20.45 C ATOM 556 C TYR A 39 44.922 34.508 -29.394 1.00 62.10 C ATOM 557 O TYR A 39 45.650 35.029 -28.547 1.00 24.30 O ATOM 558 CB TYR A 39 45.330 34.602 -31.863 1.00 32.34 C ATOM 559 CG TYR A 39 46.842 34.691 -31.777 1.00 55.01 C ATOM 560 CD1 TYR A 39 47.527 35.772 -32.316 1.00 1.41 C ATOM 561 CD2 TYR A 39 47.582 33.691 -31.160 1.00 62.40 C ATOM 562 CE1 TYR A 39 48.905 35.852 -32.246 1.00 74.42 C ATOM 563 CE2 TYR A 39 48.960 33.764 -31.084 1.00 23.44 C ATOM 564 CZ TYR A 39 49.616 34.849 -31.627 1.00 40.22 C ATOM 565 OH TYR A 39 50.990 34.923 -31.560 1.00 3.35 O ATOM 0 H TYR A 39 45.542 36.905 -29.811 1.00 43.44 H new ATOM 0 HA TYR A 39 43.511 35.181 -30.849 1.00 20.45 H new ATOM 0 HB2 TYR A 39 45.043 33.552 -31.924 1.00 32.34 H new ATOM 0 HB3 TYR A 39 45.003 35.076 -32.788 1.00 32.34 H new ATOM 0 HD1 TYR A 39 46.973 36.564 -32.798 1.00 1.41 H new ATOM 0 HD2 TYR A 39 47.072 32.841 -30.732 1.00 62.40 H new ATOM 0 HE1 TYR A 39 49.422 36.698 -32.675 1.00 74.42 H new ATOM 0 HE2 TYR A 39 49.520 32.976 -30.602 1.00 23.44 H new ATOM 0 HH TYR A 39 51.337 34.136 -31.090 1.00 3.35 H new ATOM 575 N ASN A 40 44.381 33.289 -29.272 1.00 65.22 N ATOM 576 CA ASN A 40 44.658 32.388 -28.144 1.00 3.22 C ATOM 577 C ASN A 40 44.266 33.002 -26.807 1.00 70.45 C ATOM 578 O ASN A 40 45.082 33.651 -26.152 1.00 15.21 O ATOM 579 CB ASN A 40 46.133 31.965 -28.109 1.00 75.20 C ATOM 580 CG ASN A 40 46.477 30.897 -29.135 1.00 64.02 C ATOM 581 OD1 ASN A 40 45.884 30.829 -30.215 1.00 40.50 O ATOM 582 ND2 ASN A 40 47.435 30.045 -28.800 1.00 70.04 N ATOM 0 H ASN A 40 43.735 32.897 -29.957 1.00 65.22 H new ATOM 0 HA ASN A 40 44.042 31.503 -28.304 1.00 3.22 H new ATOM 0 HB2 ASN A 40 46.759 32.840 -28.282 1.00 75.20 H new ATOM 0 HB3 ASN A 40 46.374 31.593 -27.113 1.00 75.20 H new ATOM 0 HD21 ASN A 40 47.704 29.302 -29.444 1.00 70.04 H new ATOM 0 HD22 ASN A 40 47.903 30.133 -27.898 1.00 70.04 H new ATOM 589 N ASP A 41 43.011 32.781 -26.413 1.00 1.43 N ATOM 590 CA ASP A 41 42.469 33.294 -25.152 1.00 42.41 C ATOM 591 C ASP A 41 42.652 34.806 -25.062 1.00 73.04 C ATOM 592 O ASP A 41 43.625 35.304 -24.493 1.00 20.40 O ATOM 593 CB ASP A 41 43.112 32.594 -23.944 1.00 75.34 C ATOM 594 CG ASP A 41 42.432 32.943 -22.628 1.00 44.10 C ATOM 595 OD1 ASP A 41 43.027 33.687 -21.820 1.00 61.14 O ATOM 596 OD2 ASP A 41 41.302 32.464 -22.392 1.00 31.02 O1- ATOM 0 H ASP A 41 42.340 32.241 -26.959 1.00 1.43 H new ATOM 0 HA ASP A 41 41.401 33.076 -25.134 1.00 42.41 H new ATOM 0 HB2 ASP A 41 43.073 31.515 -24.092 1.00 75.34 H new ATOM 0 HB3 ASP A 41 44.165 32.870 -23.888 1.00 75.34 H new ATOM 601 N ASP A 42 41.725 35.531 -25.657 1.00 64.11 N ATOM 602 CA ASP A 42 41.820 36.980 -25.720 1.00 22.32 C ATOM 603 C ASP A 42 40.845 37.648 -24.751 1.00 12.21 C ATOM 604 O ASP A 42 41.235 38.018 -23.643 1.00 2.23 O ATOM 605 CB ASP A 42 41.621 37.480 -27.162 1.00 70.12 C ATOM 606 CG ASP A 42 40.442 36.837 -27.873 1.00 70.01 C ATOM 607 OD1 ASP A 42 39.313 37.348 -27.747 1.00 24.15 O ATOM 608 OD2 ASP A 42 40.644 35.814 -28.562 1.00 23.10 O1- ATOM 0 H ASP A 42 40.895 35.142 -26.105 1.00 64.11 H new ATOM 0 HA ASP A 42 42.825 37.264 -25.407 1.00 22.32 H new ATOM 0 HB2 ASP A 42 41.479 38.561 -27.146 1.00 70.12 H new ATOM 0 HB3 ASP A 42 42.529 37.286 -27.733 1.00 70.12 H new ATOM 613 N PHE A 43 39.586 37.798 -25.162 1.00 34.33 N ATOM 614 CA PHE A 43 38.554 38.418 -24.328 1.00 42.52 C ATOM 615 C PHE A 43 38.959 39.818 -23.867 1.00 55.15 C ATOM 616 O PHE A 43 38.540 40.283 -22.808 1.00 42.21 O ATOM 617 CB PHE A 43 38.227 37.532 -23.122 1.00 45.40 C ATOM 618 CG PHE A 43 37.199 36.480 -23.422 1.00 60.21 C ATOM 619 CD1 PHE A 43 35.952 36.525 -22.815 1.00 61.42 C ATOM 620 CD2 PHE A 43 37.469 35.457 -24.313 1.00 74.23 C ATOM 621 CE1 PHE A 43 34.997 35.567 -23.095 1.00 3.13 C ATOM 622 CE2 PHE A 43 36.519 34.496 -24.597 1.00 34.35 C ATOM 623 CZ PHE A 43 35.280 34.550 -23.986 1.00 75.22 C ATOM 0 H PHE A 43 39.253 37.495 -26.077 1.00 34.33 H new ATOM 0 HA PHE A 43 37.659 38.520 -24.943 1.00 42.52 H new ATOM 0 HB2 PHE A 43 39.141 37.049 -22.776 1.00 45.40 H new ATOM 0 HB3 PHE A 43 37.868 38.159 -22.306 1.00 45.40 H new ATOM 0 HD1 PHE A 43 35.726 37.317 -22.117 1.00 61.42 H new ATOM 0 HD2 PHE A 43 38.435 35.409 -24.793 1.00 74.23 H new ATOM 0 HE1 PHE A 43 34.029 35.613 -22.617 1.00 3.13 H new ATOM 0 HE2 PHE A 43 36.744 33.703 -25.295 1.00 34.35 H new ATOM 0 HZ PHE A 43 34.535 33.799 -24.205 1.00 75.22 H new ATOM 633 N GLY A 44 39.744 40.500 -24.689 1.00 3.11 N ATOM 634 CA GLY A 44 40.161 41.851 -24.364 1.00 42.15 C ATOM 635 C GLY A 44 39.227 42.887 -24.956 1.00 3.45 C ATOM 636 O GLY A 44 39.540 44.074 -24.982 1.00 74.52 O ATOM 0 H GLY A 44 40.100 40.143 -25.576 1.00 3.11 H new ATOM 0 HA2 GLY A 44 40.196 41.970 -23.281 1.00 42.15 H new ATOM 0 HA3 GLY A 44 41.172 42.019 -24.736 1.00 42.15 H new ATOM 640 N ILE A 45 38.073 42.430 -25.430 1.00 51.24 N ATOM 641 CA ILE A 45 37.099 43.310 -26.065 1.00 71.42 C ATOM 642 C ILE A 45 36.187 43.937 -25.016 1.00 20.41 C ATOM 643 O ILE A 45 35.800 45.100 -25.124 1.00 25.51 O ATOM 644 CB ILE A 45 36.232 42.538 -27.085 1.00 34.42 C ATOM 645 CG1 ILE A 45 37.121 41.761 -28.061 1.00 11.31 C ATOM 646 CG2 ILE A 45 35.316 43.494 -27.843 1.00 54.24 C ATOM 647 CD1 ILE A 45 36.353 40.879 -29.022 1.00 75.24 C ATOM 0 H ILE A 45 37.789 41.451 -25.386 1.00 51.24 H new ATOM 0 HA ILE A 45 37.653 44.090 -26.587 1.00 71.42 H new ATOM 0 HB ILE A 45 35.611 41.827 -26.541 1.00 34.42 H new ATOM 0 HG12 ILE A 45 37.721 42.469 -28.633 1.00 11.31 H new ATOM 0 HG13 ILE A 45 37.815 41.143 -27.491 1.00 11.31 H new ATOM 0 HG21 ILE A 45 34.714 42.932 -28.556 1.00 54.24 H new ATOM 0 HG22 ILE A 45 34.660 44.005 -27.138 1.00 54.24 H new ATOM 0 HG23 ILE A 45 35.919 44.229 -28.377 1.00 54.24 H new ATOM 0 HD11 ILE A 45 37.052 40.363 -29.680 1.00 75.24 H new ATOM 0 HD12 ILE A 45 35.774 40.146 -28.460 1.00 75.24 H new ATOM 0 HD13 ILE A 45 35.679 41.493 -29.619 1.00 75.24 H new ATOM 659 N GLU A 46 35.864 43.157 -23.991 1.00 65.21 N ATOM 660 CA GLU A 46 34.934 43.588 -22.951 1.00 41.54 C ATOM 661 C GLU A 46 35.617 44.465 -21.909 1.00 5.12 C ATOM 662 O GLU A 46 34.982 44.921 -20.960 1.00 43.23 O ATOM 663 CB GLU A 46 34.305 42.371 -22.287 1.00 55.55 C ATOM 664 CG GLU A 46 33.472 41.539 -23.242 1.00 14.53 C ATOM 665 CD GLU A 46 33.077 40.207 -22.655 1.00 0.14 C ATOM 666 OE1 GLU A 46 32.047 40.142 -21.955 1.00 65.32 O ATOM 667 OE2 GLU A 46 33.796 39.214 -22.893 1.00 5.55 O1- ATOM 0 H GLU A 46 36.235 42.216 -23.857 1.00 65.21 H new ATOM 0 HA GLU A 46 34.156 44.189 -23.423 1.00 41.54 H new ATOM 0 HB2 GLU A 46 35.092 41.748 -21.863 1.00 55.55 H new ATOM 0 HB3 GLU A 46 33.678 42.700 -21.458 1.00 55.55 H new ATOM 0 HG2 GLU A 46 32.574 42.094 -23.513 1.00 14.53 H new ATOM 0 HG3 GLU A 46 34.035 41.375 -24.161 1.00 14.53 H new ATOM 674 N THR A 47 36.909 44.692 -22.088 1.00 53.34 N ATOM 675 CA THR A 47 37.648 45.608 -21.239 1.00 11.21 C ATOM 676 C THR A 47 38.154 46.782 -22.075 1.00 2.33 C ATOM 677 O THR A 47 39.271 46.749 -22.601 1.00 31.14 O ATOM 678 CB THR A 47 38.830 44.914 -20.536 1.00 14.13 C ATOM 679 OG1 THR A 47 38.366 43.752 -19.840 1.00 60.32 O ATOM 680 CG2 THR A 47 39.512 45.853 -19.551 1.00 31.14 C ATOM 0 H THR A 47 37.468 44.251 -22.818 1.00 53.34 H new ATOM 0 HA THR A 47 36.972 45.967 -20.463 1.00 11.21 H new ATOM 0 HB THR A 47 39.554 44.626 -21.298 1.00 14.13 H new ATOM 0 HG1 THR A 47 39.121 43.313 -19.396 1.00 60.32 H new ATOM 0 HG21 THR A 47 40.342 45.336 -19.070 1.00 31.14 H new ATOM 0 HG22 THR A 47 39.888 46.727 -20.083 1.00 31.14 H new ATOM 0 HG23 THR A 47 38.795 46.170 -18.794 1.00 31.14 H new ATOM 688 N PRO A 48 37.313 47.816 -22.244 1.00 63.35 N ATOM 689 CA PRO A 48 37.621 48.966 -23.095 1.00 21.13 C ATOM 690 C PRO A 48 38.852 49.723 -22.619 1.00 23.22 C ATOM 691 O PRO A 48 38.810 50.439 -21.617 1.00 30.10 O ATOM 692 CB PRO A 48 36.370 49.849 -22.996 1.00 72.10 C ATOM 693 CG PRO A 48 35.300 48.954 -22.478 1.00 2.42 C ATOM 694 CD PRO A 48 35.995 47.953 -21.603 1.00 3.12 C ATOM 0 HA PRO A 48 37.852 48.660 -24.116 1.00 21.13 H new ATOM 0 HB2 PRO A 48 36.536 50.693 -22.326 1.00 72.10 H new ATOM 0 HB3 PRO A 48 36.101 50.262 -23.968 1.00 72.10 H new ATOM 0 HG2 PRO A 48 34.557 49.518 -21.914 1.00 2.42 H new ATOM 0 HG3 PRO A 48 34.773 48.461 -23.295 1.00 2.42 H new ATOM 0 HD2 PRO A 48 36.080 48.305 -20.575 1.00 3.12 H new ATOM 0 HD3 PRO A 48 35.460 47.004 -21.571 1.00 3.12 H new ATOM 702 N SER A 49 39.949 49.534 -23.333 1.00 1.52 N ATOM 703 CA SER A 49 41.195 50.207 -23.019 1.00 71.45 C ATOM 704 C SER A 49 41.828 50.773 -24.289 1.00 5.40 C ATOM 705 O SER A 49 41.766 51.976 -24.545 1.00 55.33 O ATOM 706 CB SER A 49 42.142 49.226 -22.330 1.00 4.01 C ATOM 707 OG SER A 49 42.161 47.983 -23.017 1.00 52.25 O ATOM 0 H SER A 49 40.000 48.914 -24.141 1.00 1.52 H new ATOM 0 HA SER A 49 40.997 51.039 -22.344 1.00 71.45 H new ATOM 0 HB2 SER A 49 43.148 49.645 -22.298 1.00 4.01 H new ATOM 0 HB3 SER A 49 41.827 49.072 -21.298 1.00 4.01 H new ATOM 0 HG SER A 49 41.324 47.502 -22.846 1.00 52.25 H new ATOM 713 N ALA A 50 42.419 49.900 -25.093 1.00 4.34 N ATOM 714 CA ALA A 50 43.011 50.309 -26.361 1.00 71.23 C ATOM 715 C ALA A 50 41.926 50.662 -27.371 1.00 52.43 C ATOM 716 O ALA A 50 42.071 51.601 -28.153 1.00 63.35 O ATOM 717 CB ALA A 50 43.907 49.210 -26.909 1.00 52.42 C ATOM 0 H ALA A 50 42.502 48.904 -24.891 1.00 4.34 H new ATOM 0 HA ALA A 50 43.619 51.196 -26.184 1.00 71.23 H new ATOM 0 HB1 ALA A 50 44.341 49.532 -27.856 1.00 52.42 H new ATOM 0 HB2 ALA A 50 44.705 49.002 -26.196 1.00 52.42 H new ATOM 0 HB3 ALA A 50 43.319 48.306 -27.068 1.00 52.42 H new ATOM 723 N LEU A 51 40.836 49.908 -27.335 1.00 14.24 N ATOM 724 CA LEU A 51 39.717 50.112 -28.247 1.00 65.24 C ATOM 725 C LEU A 51 38.621 50.940 -27.583 1.00 54.11 C ATOM 726 O LEU A 51 37.523 51.085 -28.124 1.00 73.42 O ATOM 727 CB LEU A 51 39.173 48.751 -28.700 1.00 34.13 C ATOM 728 CG LEU A 51 38.832 47.771 -27.573 1.00 14.14 C ATOM 729 CD1 LEU A 51 37.412 47.980 -27.069 1.00 42.24 C ATOM 730 CD2 LEU A 51 39.029 46.338 -28.040 1.00 32.32 C ATOM 0 H LEU A 51 40.702 49.141 -26.676 1.00 14.24 H new ATOM 0 HA LEU A 51 40.065 50.664 -29.120 1.00 65.24 H new ATOM 0 HB2 LEU A 51 38.276 48.918 -29.297 1.00 34.13 H new ATOM 0 HB3 LEU A 51 39.909 48.284 -29.354 1.00 34.13 H new ATOM 0 HG LEU A 51 39.511 47.964 -26.742 1.00 14.14 H new ATOM 0 HD11 LEU A 51 37.201 47.269 -26.270 1.00 42.24 H new ATOM 0 HD12 LEU A 51 37.307 48.996 -26.688 1.00 42.24 H new ATOM 0 HD13 LEU A 51 36.709 47.825 -27.887 1.00 42.24 H new ATOM 0 HD21 LEU A 51 38.783 45.654 -27.228 1.00 32.32 H new ATOM 0 HD22 LEU A 51 38.378 46.140 -28.892 1.00 32.32 H new ATOM 0 HD23 LEU A 51 40.068 46.191 -28.336 1.00 32.32 H new ATOM 742 N ASP A 52 38.940 51.494 -26.416 1.00 2.23 N ATOM 743 CA ASP A 52 37.972 52.258 -25.630 1.00 12.25 C ATOM 744 C ASP A 52 37.438 53.442 -26.418 1.00 34.31 C ATOM 745 O ASP A 52 36.230 53.598 -26.576 1.00 33.15 O ATOM 746 CB ASP A 52 38.605 52.753 -24.328 1.00 5.20 C ATOM 747 CG ASP A 52 37.650 53.587 -23.497 1.00 62.52 C ATOM 748 OD1 ASP A 52 36.686 53.023 -22.943 1.00 12.41 O ATOM 749 OD2 ASP A 52 37.867 54.809 -23.375 1.00 63.02 O1- ATOM 0 H ASP A 52 39.865 51.428 -25.991 1.00 2.23 H new ATOM 0 HA ASP A 52 37.142 51.592 -25.395 1.00 12.25 H new ATOM 0 HB2 ASP A 52 38.939 51.897 -23.742 1.00 5.20 H new ATOM 0 HB3 ASP A 52 39.491 53.345 -24.561 1.00 5.20 H new ATOM 754 N ASN A 53 38.349 54.250 -26.938 1.00 61.25 N ATOM 755 CA ASN A 53 37.972 55.462 -27.660 1.00 42.12 C ATOM 756 C ASN A 53 37.160 55.110 -28.899 1.00 63.01 C ATOM 757 O ASN A 53 36.172 55.772 -29.216 1.00 23.25 O ATOM 758 CB ASN A 53 39.210 56.266 -28.070 1.00 44.53 C ATOM 759 CG ASN A 53 40.100 56.631 -26.895 1.00 73.01 C ATOM 760 OD1 ASN A 53 41.025 55.894 -26.549 1.00 72.42 O ATOM 761 ND2 ASN A 53 39.830 57.766 -26.268 1.00 31.23 N ATOM 0 H ASN A 53 39.355 54.091 -26.875 1.00 61.25 H new ATOM 0 HA ASN A 53 37.365 56.073 -26.992 1.00 42.12 H new ATOM 0 HB2 ASN A 53 39.789 55.688 -28.791 1.00 44.53 H new ATOM 0 HB3 ASN A 53 38.892 57.178 -28.575 1.00 44.53 H new ATOM 0 HD21 ASN A 53 40.396 58.055 -25.470 1.00 31.23 H new ATOM 0 HD22 ASN A 53 39.056 58.351 -26.583 1.00 31.23 H new ATOM 768 N PHE A 54 37.577 54.049 -29.579 1.00 22.14 N ATOM 769 CA PHE A 54 36.928 53.605 -30.803 1.00 43.23 C ATOM 770 C PHE A 54 35.459 53.246 -30.570 1.00 0.30 C ATOM 771 O PHE A 54 34.565 53.901 -31.100 1.00 51.31 O ATOM 772 CB PHE A 54 37.682 52.404 -31.386 1.00 64.13 C ATOM 773 CG PHE A 54 37.105 51.878 -32.670 1.00 32.43 C ATOM 774 CD1 PHE A 54 37.195 52.616 -33.837 1.00 20.25 C ATOM 775 CD2 PHE A 54 36.482 50.640 -32.709 1.00 52.44 C ATOM 776 CE1 PHE A 54 36.671 52.133 -35.019 1.00 74.25 C ATOM 777 CE2 PHE A 54 35.955 50.153 -33.888 1.00 41.13 C ATOM 778 CZ PHE A 54 36.050 50.899 -35.046 1.00 1.54 C ATOM 0 H PHE A 54 38.372 53.475 -29.298 1.00 22.14 H new ATOM 0 HA PHE A 54 36.954 54.431 -31.514 1.00 43.23 H new ATOM 0 HB2 PHE A 54 38.720 52.689 -31.557 1.00 64.13 H new ATOM 0 HB3 PHE A 54 37.690 51.601 -30.649 1.00 64.13 H new ATOM 0 HD1 PHE A 54 37.681 53.581 -33.823 1.00 20.25 H new ATOM 0 HD2 PHE A 54 36.408 50.050 -31.807 1.00 52.44 H new ATOM 0 HE1 PHE A 54 36.746 52.720 -35.923 1.00 74.25 H new ATOM 0 HE2 PHE A 54 35.469 49.189 -33.905 1.00 41.13 H new ATOM 0 HZ PHE A 54 35.640 50.519 -35.970 1.00 1.54 H new ATOM 788 N THR A 55 35.214 52.225 -29.757 1.00 75.41 N ATOM 789 CA THR A 55 33.864 51.700 -29.585 1.00 62.12 C ATOM 790 C THR A 55 32.959 52.686 -28.843 1.00 21.25 C ATOM 791 O THR A 55 31.732 52.601 -28.932 1.00 1.24 O ATOM 792 CB THR A 55 33.867 50.337 -28.854 1.00 4.21 C ATOM 793 OG1 THR A 55 32.536 49.805 -28.795 1.00 21.43 O ATOM 794 CG2 THR A 55 34.422 50.464 -27.442 1.00 4.31 C ATOM 0 H THR A 55 35.928 51.746 -29.209 1.00 75.41 H new ATOM 0 HA THR A 55 33.463 51.553 -30.588 1.00 62.12 H new ATOM 0 HB THR A 55 34.510 49.661 -29.418 1.00 4.21 H new ATOM 0 HG1 THR A 55 32.549 48.941 -28.332 1.00 21.43 H new ATOM 0 HG21 THR A 55 34.410 49.488 -26.957 1.00 4.31 H new ATOM 0 HG22 THR A 55 35.446 50.835 -27.486 1.00 4.31 H new ATOM 0 HG23 THR A 55 33.808 51.161 -26.871 1.00 4.31 H new ATOM 802 N GLN A 56 33.558 53.630 -28.133 1.00 32.54 N ATOM 803 CA GLN A 56 32.791 54.626 -27.394 1.00 40.22 C ATOM 804 C GLN A 56 32.358 55.757 -28.316 1.00 42.31 C ATOM 805 O GLN A 56 31.253 56.288 -28.186 1.00 33.50 O ATOM 806 CB GLN A 56 33.599 55.173 -26.215 1.00 24.31 C ATOM 807 CG GLN A 56 33.249 54.526 -24.882 1.00 3.12 C ATOM 808 CD GLN A 56 33.302 53.011 -24.925 1.00 23.51 C ATOM 809 OE1 GLN A 56 32.311 52.354 -25.239 1.00 22.43 O ATOM 810 NE2 GLN A 56 34.445 52.442 -24.589 1.00 51.20 N ATOM 0 H GLN A 56 34.570 53.729 -28.052 1.00 32.54 H new ATOM 0 HA GLN A 56 31.899 54.142 -26.997 1.00 40.22 H new ATOM 0 HB2 GLN A 56 34.661 55.025 -26.413 1.00 24.31 H new ATOM 0 HB3 GLN A 56 33.435 56.248 -26.141 1.00 24.31 H new ATOM 0 HG2 GLN A 56 33.938 54.886 -24.118 1.00 3.12 H new ATOM 0 HG3 GLN A 56 32.249 54.840 -24.584 1.00 3.12 H new ATOM 0 HE21 GLN A 56 35.246 53.019 -24.334 1.00 51.20 H new ATOM 0 HE22 GLN A 56 34.527 51.425 -24.584 1.00 51.20 H new ATOM 819 N ALA A 57 33.224 56.107 -29.261 1.00 43.12 N ATOM 820 CA ALA A 57 32.900 57.121 -30.252 1.00 74.22 C ATOM 821 C ALA A 57 31.773 56.640 -31.158 1.00 13.44 C ATOM 822 O ALA A 57 30.972 57.436 -31.649 1.00 44.41 O ATOM 823 CB ALA A 57 34.127 57.476 -31.077 1.00 32.32 C ATOM 0 H ALA A 57 34.155 55.702 -29.360 1.00 43.12 H new ATOM 0 HA ALA A 57 32.566 58.017 -29.728 1.00 74.22 H new ATOM 0 HB1 ALA A 57 33.863 58.236 -31.812 1.00 32.32 H new ATOM 0 HB2 ALA A 57 34.908 57.861 -30.421 1.00 32.32 H new ATOM 0 HB3 ALA A 57 34.491 56.586 -31.590 1.00 32.32 H new ATOM 829 N ILE A 58 31.712 55.329 -31.367 1.00 52.41 N ATOM 830 CA ILE A 58 30.654 54.732 -32.171 1.00 43.42 C ATOM 831 C ILE A 58 29.322 54.815 -31.440 1.00 42.32 C ATOM 832 O ILE A 58 28.312 55.209 -32.010 1.00 2.22 O ATOM 833 CB ILE A 58 30.947 53.258 -32.514 1.00 4.31 C ATOM 834 CG1 ILE A 58 32.361 53.122 -33.081 1.00 33.32 C ATOM 835 CG2 ILE A 58 29.914 52.732 -33.503 1.00 22.11 C ATOM 836 CD1 ILE A 58 32.662 51.757 -33.658 1.00 75.03 C ATOM 0 H ILE A 58 32.384 54.660 -30.990 1.00 52.41 H new ATOM 0 HA ILE A 58 30.607 55.297 -33.102 1.00 43.42 H new ATOM 0 HB ILE A 58 30.883 52.662 -31.604 1.00 4.31 H new ATOM 0 HG12 ILE A 58 32.504 53.873 -33.858 1.00 33.32 H new ATOM 0 HG13 ILE A 58 33.081 53.339 -32.292 1.00 33.32 H new ATOM 0 HG21 ILE A 58 30.132 51.690 -33.737 1.00 22.11 H new ATOM 0 HG22 ILE A 58 28.919 52.805 -33.063 1.00 22.11 H new ATOM 0 HG23 ILE A 58 29.951 53.325 -34.417 1.00 22.11 H new ATOM 0 HD11 ILE A 58 33.683 51.740 -34.040 1.00 75.03 H new ATOM 0 HD12 ILE A 58 32.553 51.001 -32.880 1.00 75.03 H new ATOM 0 HD13 ILE A 58 31.967 51.544 -34.471 1.00 75.03 H new ATOM 848 N GLN A 59 29.322 54.465 -30.164 1.00 20.32 N ATOM 849 CA GLN A 59 28.107 54.549 -29.366 1.00 43.14 C ATOM 850 C GLN A 59 27.677 56.007 -29.199 1.00 30.01 C ATOM 851 O GLN A 59 26.521 56.299 -28.904 1.00 22.32 O ATOM 852 CB GLN A 59 28.302 53.876 -28.006 1.00 0.24 C ATOM 853 CG GLN A 59 28.562 52.381 -28.110 1.00 33.03 C ATOM 854 CD GLN A 59 28.554 51.684 -26.764 1.00 32.54 C ATOM 855 OE1 GLN A 59 27.510 51.234 -26.295 1.00 24.13 O ATOM 856 NE2 GLN A 59 29.713 51.579 -26.136 1.00 51.23 N ATOM 0 H GLN A 59 30.141 54.123 -29.661 1.00 20.32 H new ATOM 0 HA GLN A 59 27.313 54.017 -29.891 1.00 43.14 H new ATOM 0 HB2 GLN A 59 29.138 54.349 -27.490 1.00 0.24 H new ATOM 0 HB3 GLN A 59 27.415 54.042 -27.395 1.00 0.24 H new ATOM 0 HG2 GLN A 59 27.805 51.930 -28.751 1.00 33.03 H new ATOM 0 HG3 GLN A 59 29.526 52.218 -28.592 1.00 33.03 H new ATOM 0 HE21 GLN A 59 30.558 51.965 -26.557 1.00 51.23 H new ATOM 0 HE22 GLN A 59 29.762 51.112 -25.231 1.00 51.23 H new ATOM 865 N SER A 60 28.611 56.920 -29.428 1.00 51.04 N ATOM 866 CA SER A 60 28.330 58.346 -29.350 1.00 11.41 C ATOM 867 C SER A 60 27.739 58.878 -30.662 1.00 54.31 C ATOM 868 O SER A 60 27.385 60.052 -30.755 1.00 71.15 O ATOM 869 CB SER A 60 29.606 59.116 -29.007 1.00 73.34 C ATOM 870 OG SER A 60 30.121 58.726 -27.744 1.00 3.51 O ATOM 0 H SER A 60 29.576 56.696 -29.671 1.00 51.04 H new ATOM 0 HA SER A 60 27.591 58.495 -28.563 1.00 11.41 H new ATOM 0 HB2 SER A 60 30.357 58.941 -29.778 1.00 73.34 H new ATOM 0 HB3 SER A 60 29.397 60.186 -29.002 1.00 73.34 H new ATOM 0 HG SER A 60 30.491 57.821 -27.807 1.00 3.51 H new ATOM 876 N GLN A 61 27.630 58.022 -31.676 1.00 30.10 N ATOM 877 CA GLN A 61 27.026 58.433 -32.939 1.00 24.42 C ATOM 878 C GLN A 61 25.631 57.827 -33.075 1.00 14.32 C ATOM 879 O GLN A 61 24.916 58.087 -34.041 1.00 1.12 O ATOM 880 CB GLN A 61 27.904 58.024 -34.133 1.00 64.21 C ATOM 881 CG GLN A 61 27.780 56.560 -34.534 1.00 32.32 C ATOM 882 CD GLN A 61 28.665 56.188 -35.712 1.00 64.01 C ATOM 883 OE1 GLN A 61 29.811 56.842 -35.833 1.00 52.54 O flip ATOM 884 NE2 GLN A 61 28.324 55.309 -36.503 1.00 61.52 N flip ATOM 0 H GLN A 61 27.947 57.053 -31.649 1.00 30.10 H new ATOM 0 HA GLN A 61 26.944 59.520 -32.939 1.00 24.42 H new ATOM 0 HB2 GLN A 61 27.644 58.646 -34.990 1.00 64.21 H new ATOM 0 HB3 GLN A 61 28.946 58.235 -33.891 1.00 64.21 H new ATOM 0 HG2 GLN A 61 28.038 55.933 -33.681 1.00 32.32 H new ATOM 0 HG3 GLN A 61 26.741 56.345 -34.785 1.00 32.32 H new ATOM 0 HE21 GLN A 61 27.434 54.827 -36.377 1.00 61.52 H new ATOM 0 HE22 GLN A 61 28.932 55.062 -37.284 1.00 61.52 H new ATOM 893 N ILE A 62 25.247 57.029 -32.083 1.00 25.21 N ATOM 894 CA ILE A 62 23.968 56.328 -32.110 1.00 60.23 C ATOM 895 C ILE A 62 22.818 57.280 -31.784 1.00 4.22 C ATOM 896 O ILE A 62 21.708 57.125 -32.293 1.00 73.53 O ATOM 897 CB ILE A 62 23.964 55.143 -31.115 1.00 31.41 C ATOM 898 CG1 ILE A 62 25.108 54.173 -31.435 1.00 75.12 C ATOM 899 CG2 ILE A 62 22.626 54.416 -31.135 1.00 11.33 C ATOM 900 CD1 ILE A 62 25.049 53.590 -32.835 1.00 54.33 C ATOM 0 H ILE A 62 25.806 56.852 -31.248 1.00 25.21 H new ATOM 0 HA ILE A 62 23.828 55.939 -33.118 1.00 60.23 H new ATOM 0 HB ILE A 62 24.115 55.542 -30.112 1.00 31.41 H new ATOM 0 HG12 ILE A 62 26.058 54.693 -31.309 1.00 75.12 H new ATOM 0 HG13 ILE A 62 25.092 53.358 -30.712 1.00 75.12 H new ATOM 0 HG21 ILE A 62 22.651 53.588 -30.427 1.00 11.33 H new ATOM 0 HG22 ILE A 62 21.832 55.108 -30.856 1.00 11.33 H new ATOM 0 HG23 ILE A 62 22.436 54.031 -32.137 1.00 11.33 H new ATOM 0 HD11 ILE A 62 25.891 52.915 -32.984 1.00 54.33 H new ATOM 0 HD12 ILE A 62 24.116 53.040 -32.961 1.00 54.33 H new ATOM 0 HD13 ILE A 62 25.097 54.396 -33.567 1.00 54.33 H new ATOM 912 N LEU A 63 23.107 58.287 -30.966 1.00 64.35 N ATOM 913 CA LEU A 63 22.088 59.236 -30.525 1.00 53.53 C ATOM 914 C LEU A 63 21.497 59.971 -31.726 1.00 34.31 C ATOM 915 O LEU A 63 20.282 60.151 -31.826 1.00 74.53 O ATOM 916 CB LEU A 63 22.662 60.257 -29.527 1.00 24.15 C ATOM 917 CG LEU A 63 23.403 59.686 -28.307 1.00 14.34 C ATOM 918 CD1 LEU A 63 22.696 58.460 -27.748 1.00 52.54 C ATOM 919 CD2 LEU A 63 24.849 59.359 -28.645 1.00 61.01 C ATOM 0 H LEU A 63 24.039 58.468 -30.594 1.00 64.35 H new ATOM 0 HA LEU A 63 21.305 58.669 -30.021 1.00 53.53 H new ATOM 0 HB2 LEU A 63 23.347 60.912 -30.066 1.00 24.15 H new ATOM 0 HB3 LEU A 63 21.843 60.879 -29.167 1.00 24.15 H new ATOM 0 HG LEU A 63 23.398 60.457 -27.537 1.00 14.34 H new ATOM 0 HD11 LEU A 63 23.248 58.083 -26.887 1.00 52.54 H new ATOM 0 HD12 LEU A 63 21.686 58.731 -27.442 1.00 52.54 H new ATOM 0 HD13 LEU A 63 22.648 57.687 -28.515 1.00 52.54 H new ATOM 0 HD21 LEU A 63 25.347 58.957 -27.763 1.00 61.01 H new ATOM 0 HD22 LEU A 63 24.877 58.620 -29.446 1.00 61.01 H new ATOM 0 HD23 LEU A 63 25.361 60.265 -28.969 1.00 61.01 H new ATOM 931 N GLY A 64 22.370 60.393 -32.634 1.00 54.14 N ATOM 932 CA GLY A 64 21.924 61.027 -33.859 1.00 43.53 C ATOM 933 C GLY A 64 21.562 60.004 -34.917 1.00 42.50 C ATOM 934 O GLY A 64 20.660 60.226 -35.723 1.00 45.41 O ATOM 0 H GLY A 64 23.382 60.306 -32.542 1.00 54.14 H new ATOM 0 HA2 GLY A 64 21.059 61.656 -33.650 1.00 43.53 H new ATOM 0 HA3 GLY A 64 22.710 61.681 -34.238 1.00 43.53 H new ATOM 938 N GLY A 65 22.259 58.868 -34.893 1.00 25.24 N ATOM 939 CA GLY A 65 22.009 57.804 -35.855 1.00 5.50 C ATOM 940 C GLY A 65 20.611 57.228 -35.745 1.00 33.53 C ATOM 941 O GLY A 65 20.085 56.667 -36.709 1.00 11.34 O ATOM 0 H GLY A 65 22.997 58.665 -34.219 1.00 25.24 H new ATOM 0 HA2 GLY A 65 22.160 58.190 -36.863 1.00 5.50 H new ATOM 0 HA3 GLY A 65 22.738 57.007 -35.706 1.00 5.50 H new ATOM 945 N LEU A 66 20.011 57.362 -34.567 1.00 53.33 N ATOM 946 CA LEU A 66 18.637 56.929 -34.345 1.00 72.23 C ATOM 947 C LEU A 66 17.712 57.600 -35.359 1.00 34.12 C ATOM 948 O LEU A 66 16.833 56.958 -35.939 1.00 33.03 O ATOM 949 CB LEU A 66 18.216 57.263 -32.903 1.00 31.31 C ATOM 950 CG LEU A 66 16.855 56.715 -32.444 1.00 64.21 C ATOM 951 CD1 LEU A 66 16.828 56.580 -30.930 1.00 22.03 C ATOM 952 CD2 LEU A 66 15.714 57.617 -32.898 1.00 65.03 C ATOM 0 H LEU A 66 20.459 57.770 -33.746 1.00 53.33 H new ATOM 0 HA LEU A 66 18.565 55.850 -34.482 1.00 72.23 H new ATOM 0 HB2 LEU A 66 18.982 56.884 -32.227 1.00 31.31 H new ATOM 0 HB3 LEU A 66 18.202 58.347 -32.794 1.00 31.31 H new ATOM 0 HG LEU A 66 16.720 55.734 -32.900 1.00 64.21 H new ATOM 0 HD11 LEU A 66 15.859 56.191 -30.617 1.00 22.03 H new ATOM 0 HD12 LEU A 66 17.614 55.895 -30.612 1.00 22.03 H new ATOM 0 HD13 LEU A 66 16.991 57.557 -30.475 1.00 22.03 H new ATOM 0 HD21 LEU A 66 14.765 57.202 -32.558 1.00 65.03 H new ATOM 0 HD22 LEU A 66 15.847 58.613 -32.475 1.00 65.03 H new ATOM 0 HD23 LEU A 66 15.712 57.682 -33.986 1.00 65.03 H new ATOM 964 N LEU A 67 17.958 58.882 -35.615 1.00 53.21 N ATOM 965 CA LEU A 67 17.134 59.655 -36.538 1.00 64.45 C ATOM 966 C LEU A 67 17.528 59.386 -37.989 1.00 60.43 C ATOM 967 O LEU A 67 17.133 60.114 -38.895 1.00 44.24 O ATOM 968 CB LEU A 67 17.233 61.158 -36.238 1.00 51.43 C ATOM 969 CG LEU A 67 16.573 61.621 -34.932 1.00 3.00 C ATOM 970 CD1 LEU A 67 17.430 61.271 -33.725 1.00 70.32 C ATOM 971 CD2 LEU A 67 16.303 63.116 -34.979 1.00 22.21 C ATOM 0 H LEU A 67 18.724 59.408 -35.194 1.00 53.21 H new ATOM 0 HA LEU A 67 16.101 59.338 -36.396 1.00 64.45 H new ATOM 0 HB2 LEU A 67 18.287 61.435 -36.209 1.00 51.43 H new ATOM 0 HB3 LEU A 67 16.782 61.705 -37.066 1.00 51.43 H new ATOM 0 HG LEU A 67 15.624 61.095 -34.829 1.00 3.00 H new ATOM 0 HD11 LEU A 67 16.935 61.612 -32.816 1.00 70.32 H new ATOM 0 HD12 LEU A 67 17.569 60.191 -33.679 1.00 70.32 H new ATOM 0 HD13 LEU A 67 18.401 61.759 -33.814 1.00 70.32 H new ATOM 0 HD21 LEU A 67 15.835 63.431 -34.046 1.00 22.21 H new ATOM 0 HD22 LEU A 67 17.243 63.652 -35.112 1.00 22.21 H new ATOM 0 HD23 LEU A 67 15.637 63.339 -35.813 1.00 22.21 H new ATOM 983 N SER A 68 18.317 58.343 -38.200 1.00 40.32 N ATOM 984 CA SER A 68 18.668 57.902 -39.538 1.00 11.31 C ATOM 985 C SER A 68 18.106 56.500 -39.782 1.00 75.02 C ATOM 986 O SER A 68 17.914 56.079 -40.925 1.00 75.11 O ATOM 987 CB SER A 68 20.192 57.918 -39.718 1.00 0.14 C ATOM 988 OG SER A 68 20.560 57.618 -41.053 1.00 4.11 O ATOM 0 H SER A 68 18.728 57.783 -37.453 1.00 40.32 H new ATOM 0 HA SER A 68 18.233 58.584 -40.268 1.00 11.31 H new ATOM 0 HB2 SER A 68 20.582 58.898 -39.444 1.00 0.14 H new ATOM 0 HB3 SER A 68 20.647 57.194 -39.042 1.00 0.14 H new ATOM 0 HG SER A 68 19.828 57.862 -41.657 1.00 4.11 H new ATOM 994 N ASN A 69 17.821 55.788 -38.692 1.00 22.22 N ATOM 995 CA ASN A 69 17.269 54.439 -38.778 1.00 3.21 C ATOM 996 C ASN A 69 15.755 54.492 -38.957 1.00 33.23 C ATOM 997 O ASN A 69 15.153 53.602 -39.558 1.00 41.32 O ATOM 998 CB ASN A 69 17.621 53.649 -37.509 1.00 53.44 C ATOM 999 CG ASN A 69 17.099 52.221 -37.515 1.00 25.14 C ATOM 1000 OD1 ASN A 69 16.970 51.587 -38.563 1.00 41.35 O ATOM 1001 ND2 ASN A 69 16.789 51.707 -36.333 1.00 2.13 N ATOM 0 H ASN A 69 17.964 56.124 -37.740 1.00 22.22 H new ATOM 0 HA ASN A 69 17.703 53.938 -39.643 1.00 3.21 H new ATOM 0 HB2 ASN A 69 18.705 53.630 -37.392 1.00 53.44 H new ATOM 0 HB3 ASN A 69 17.216 54.171 -36.642 1.00 53.44 H new ATOM 0 HD21 ASN A 69 16.430 50.755 -36.269 1.00 2.13 H new ATOM 0 HD22 ASN A 69 16.910 52.264 -35.487 1.00 2.13 H new ATOM 1008 N ILE A 70 15.153 55.570 -38.470 1.00 71.41 N ATOM 1009 CA ILE A 70 13.705 55.735 -38.527 1.00 54.25 C ATOM 1010 C ILE A 70 13.280 56.313 -39.882 1.00 15.54 C ATOM 1011 O ILE A 70 12.091 56.412 -40.192 1.00 23.53 O ATOM 1012 CB ILE A 70 13.207 56.650 -37.375 1.00 3.10 C ATOM 1013 CG1 ILE A 70 13.759 56.168 -36.027 1.00 23.53 C ATOM 1014 CG2 ILE A 70 11.684 56.690 -37.321 1.00 12.32 C ATOM 1015 CD1 ILE A 70 13.352 54.753 -35.662 1.00 42.43 C ATOM 0 H ILE A 70 15.647 56.346 -38.029 1.00 71.41 H new ATOM 0 HA ILE A 70 13.250 54.752 -38.408 1.00 54.25 H new ATOM 0 HB ILE A 70 13.573 57.657 -37.573 1.00 3.10 H new ATOM 0 HG12 ILE A 70 14.847 56.227 -36.050 1.00 23.53 H new ATOM 0 HG13 ILE A 70 13.419 56.846 -35.244 1.00 23.53 H new ATOM 0 HG21 ILE A 70 11.366 57.338 -36.505 1.00 12.32 H new ATOM 0 HG22 ILE A 70 11.297 57.077 -38.264 1.00 12.32 H new ATOM 0 HG23 ILE A 70 11.299 55.684 -37.156 1.00 12.32 H new ATOM 0 HD11 ILE A 70 13.782 54.488 -34.696 1.00 42.43 H new ATOM 0 HD12 ILE A 70 12.265 54.690 -35.604 1.00 42.43 H new ATOM 0 HD13 ILE A 70 13.715 54.062 -36.423 1.00 42.43 H new ATOM 1027 N ASN A 71 14.262 56.653 -40.713 1.00 10.14 N ATOM 1028 CA ASN A 71 13.987 57.265 -42.017 1.00 44.34 C ATOM 1029 C ASN A 71 13.590 56.222 -43.057 1.00 55.34 C ATOM 1030 O ASN A 71 13.449 56.548 -44.236 1.00 20.43 O ATOM 1031 CB ASN A 71 15.201 58.053 -42.524 1.00 33.10 C ATOM 1032 CG ASN A 71 15.504 59.274 -41.680 1.00 24.15 C ATOM 1033 OD1 ASN A 71 14.616 59.851 -41.056 1.00 2.11 O ATOM 1034 ND2 ASN A 71 16.762 59.681 -41.664 1.00 61.43 N ATOM 0 H ASN A 71 15.253 56.517 -40.511 1.00 10.14 H new ATOM 0 HA ASN A 71 13.150 57.949 -41.874 1.00 44.34 H new ATOM 0 HB2 ASN A 71 16.073 57.400 -42.535 1.00 33.10 H new ATOM 0 HB3 ASN A 71 15.022 58.364 -43.553 1.00 33.10 H new ATOM 0 HD21 ASN A 71 17.025 60.502 -41.120 1.00 61.43 H new ATOM 0 HD22 ASN A 71 17.469 59.174 -42.196 1.00 61.43 H new ATOM 1041 N THR A 72 13.407 54.977 -42.608 1.00 12.11 N ATOM 1042 CA THR A 72 13.017 53.857 -43.474 1.00 23.30 C ATOM 1043 C THR A 72 13.957 53.715 -44.674 1.00 44.31 C ATOM 1044 O THR A 72 15.075 54.234 -44.664 1.00 44.23 O ATOM 1045 CB THR A 72 11.545 53.966 -43.954 1.00 2.13 C ATOM 1046 OG1 THR A 72 11.316 55.198 -44.650 1.00 14.23 O ATOM 1047 CG2 THR A 72 10.585 53.864 -42.776 1.00 53.31 C ATOM 0 H THR A 72 13.525 54.715 -41.629 1.00 12.11 H new ATOM 0 HA THR A 72 13.101 52.958 -42.863 1.00 23.30 H new ATOM 0 HB THR A 72 11.363 53.138 -44.639 1.00 2.13 H new ATOM 0 HG1 THR A 72 12.176 55.603 -44.889 1.00 14.23 H new ATOM 0 HG21 THR A 72 9.559 53.943 -43.135 1.00 53.31 H new ATOM 0 HG22 THR A 72 10.722 52.905 -42.277 1.00 53.31 H new ATOM 0 HG23 THR A 72 10.786 54.671 -42.072 1.00 53.31 H new ATOM 1055 N GLY A 73 13.522 52.974 -45.682 1.00 3.13 N ATOM 1056 CA GLY A 73 14.326 52.797 -46.872 1.00 42.41 C ATOM 1057 C GLY A 73 14.605 51.337 -47.134 1.00 24.53 C ATOM 1058 O GLY A 73 14.217 50.796 -48.172 1.00 71.02 O ATOM 0 H GLY A 73 12.624 52.491 -45.696 1.00 3.13 H new ATOM 0 HA2 GLY A 73 13.811 53.230 -47.729 1.00 42.41 H new ATOM 0 HA3 GLY A 73 15.267 53.335 -46.761 1.00 42.41 H new ATOM 1062 N LYS A 74 15.314 50.709 -46.206 1.00 31.51 N ATOM 1063 CA LYS A 74 15.524 49.268 -46.241 1.00 51.44 C ATOM 1064 C LYS A 74 14.192 48.521 -46.245 1.00 44.43 C ATOM 1065 O LYS A 74 13.240 48.935 -45.582 1.00 24.01 O ATOM 1066 CB LYS A 74 16.362 48.818 -45.041 1.00 23.21 C ATOM 1067 CG LYS A 74 15.904 49.402 -43.713 1.00 4.23 C ATOM 1068 CD LYS A 74 16.584 48.719 -42.536 1.00 20.20 C ATOM 1069 CE LYS A 74 16.317 49.454 -41.232 1.00 35.24 C ATOM 1070 NZ LYS A 74 17.150 50.682 -41.098 1.00 22.45 N1+ ATOM 0 H LYS A 74 15.756 51.178 -45.415 1.00 31.51 H new ATOM 0 HA LYS A 74 16.060 49.032 -47.161 1.00 51.44 H new ATOM 0 HB2 LYS A 74 16.332 47.730 -44.977 1.00 23.21 H new ATOM 0 HB3 LYS A 74 17.401 49.099 -45.211 1.00 23.21 H new ATOM 0 HG2 LYS A 74 16.122 50.470 -43.690 1.00 4.23 H new ATOM 0 HG3 LYS A 74 14.823 49.295 -43.621 1.00 4.23 H new ATOM 0 HD2 LYS A 74 16.228 47.692 -42.455 1.00 20.20 H new ATOM 0 HD3 LYS A 74 17.658 48.671 -42.714 1.00 20.20 H new ATOM 0 HE2 LYS A 74 15.262 49.725 -41.179 1.00 35.24 H new ATOM 0 HE3 LYS A 74 16.518 48.787 -40.393 1.00 35.24 H new ATOM 0 HZ1 LYS A 74 17.050 51.066 -40.137 1.00 22.45 H new ATOM 0 HZ2 LYS A 74 18.147 50.446 -41.274 1.00 22.45 H new ATOM 0 HZ3 LYS A 74 16.835 51.392 -41.789 1.00 22.45 H new ATOM 1084 N PRO A 75 14.116 47.403 -46.979 1.00 62.34 N ATOM 1085 CA PRO A 75 12.946 46.528 -46.954 1.00 2.31 C ATOM 1086 C PRO A 75 12.984 45.588 -45.751 1.00 25.45 C ATOM 1087 O PRO A 75 12.004 44.907 -45.434 1.00 34.43 O ATOM 1088 CB PRO A 75 13.077 45.746 -48.257 1.00 60.25 C ATOM 1089 CG PRO A 75 14.546 45.664 -48.501 1.00 23.21 C ATOM 1090 CD PRO A 75 15.148 46.919 -47.918 1.00 65.03 C ATOM 0 HA PRO A 75 12.006 47.074 -46.868 1.00 2.31 H new ATOM 0 HB2 PRO A 75 12.634 44.754 -48.170 1.00 60.25 H new ATOM 0 HB3 PRO A 75 12.567 46.253 -49.076 1.00 60.25 H new ATOM 0 HG2 PRO A 75 14.968 44.776 -48.030 1.00 23.21 H new ATOM 0 HG3 PRO A 75 14.759 45.591 -49.568 1.00 23.21 H new ATOM 0 HD2 PRO A 75 16.088 46.711 -47.407 1.00 65.03 H new ATOM 0 HD3 PRO A 75 15.362 47.656 -48.692 1.00 65.03 H new ATOM 1098 N GLY A 76 14.135 45.569 -45.096 1.00 12.10 N ATOM 1099 CA GLY A 76 14.344 44.737 -43.935 1.00 14.01 C ATOM 1100 C GLY A 76 15.817 44.627 -43.610 1.00 13.34 C ATOM 1101 O GLY A 76 16.659 44.728 -44.505 1.00 72.12 O ATOM 0 H GLY A 76 14.945 46.131 -45.359 1.00 12.10 H new ATOM 0 HA2 GLY A 76 13.809 45.155 -43.082 1.00 14.01 H new ATOM 0 HA3 GLY A 76 13.932 43.744 -44.115 1.00 14.01 H new ATOM 1105 N ARG A 77 16.138 44.456 -42.339 1.00 2.44 N ATOM 1106 CA ARG A 77 17.527 44.293 -41.923 1.00 13.33 C ATOM 1107 C ARG A 77 17.851 42.815 -41.768 1.00 22.11 C ATOM 1108 O ARG A 77 16.958 41.968 -41.835 1.00 0.25 O ATOM 1109 CB ARG A 77 17.790 45.020 -40.602 1.00 21.41 C ATOM 1110 CG ARG A 77 16.996 44.462 -39.434 1.00 30.43 C ATOM 1111 CD ARG A 77 17.385 45.127 -38.126 1.00 20.32 C ATOM 1112 NE ARG A 77 17.214 46.577 -38.178 1.00 45.02 N ATOM 1113 CZ ARG A 77 16.164 47.221 -37.676 1.00 1.11 C ATOM 1114 NH1 ARG A 77 15.175 46.536 -37.112 1.00 21.40 N1+ ATOM 1115 NH2 ARG A 77 16.109 48.548 -37.738 1.00 14.15 N ATOM 0 H ARG A 77 15.461 44.426 -41.577 1.00 2.44 H new ATOM 0 HA ARG A 77 18.167 44.728 -42.691 1.00 13.33 H new ATOM 0 HB2 ARG A 77 18.853 44.961 -40.369 1.00 21.41 H new ATOM 0 HB3 ARG A 77 17.549 46.076 -40.723 1.00 21.41 H new ATOM 0 HG2 ARG A 77 15.931 44.608 -39.614 1.00 30.43 H new ATOM 0 HG3 ARG A 77 17.163 43.387 -39.360 1.00 30.43 H new ATOM 0 HD2 ARG A 77 16.779 44.719 -37.317 1.00 20.32 H new ATOM 0 HD3 ARG A 77 18.424 44.892 -37.895 1.00 20.32 H new ATOM 0 HE ARG A 77 17.945 47.129 -38.627 1.00 45.02 H new ATOM 0 HH11 ARG A 77 15.222 45.518 -37.065 1.00 21.40 H new ATOM 0 HH12 ARG A 77 14.369 47.028 -36.726 1.00 21.40 H new ATOM 0 HH21 ARG A 77 16.871 49.070 -38.170 1.00 14.15 H new ATOM 0 HH22 ARG A 77 15.305 49.044 -37.354 1.00 14.15 H new ATOM 1129 N MET A 78 19.122 42.505 -41.559 1.00 12.00 N ATOM 1130 CA MET A 78 19.529 41.132 -41.308 1.00 2.03 C ATOM 1131 C MET A 78 20.322 41.047 -40.013 1.00 70.13 C ATOM 1132 O MET A 78 21.421 41.595 -39.902 1.00 44.34 O ATOM 1133 CB MET A 78 20.347 40.572 -42.476 1.00 63.14 C ATOM 1134 CG MET A 78 20.822 39.142 -42.250 1.00 52.15 C ATOM 1135 SD MET A 78 21.651 38.442 -43.691 1.00 73.31 S ATOM 1136 CE MET A 78 20.299 38.396 -44.866 1.00 35.54 C ATOM 0 H MET A 78 19.885 43.182 -41.558 1.00 12.00 H new ATOM 0 HA MET A 78 18.629 40.525 -41.211 1.00 2.03 H new ATOM 0 HB2 MET A 78 19.743 40.608 -43.383 1.00 63.14 H new ATOM 0 HB3 MET A 78 21.213 41.213 -42.644 1.00 63.14 H new ATOM 0 HG2 MET A 78 21.503 39.121 -41.399 1.00 52.15 H new ATOM 0 HG3 MET A 78 19.967 38.517 -41.990 1.00 52.15 H new ATOM 0 HE1 MET A 78 20.515 37.661 -45.641 1.00 35.54 H new ATOM 0 HE2 MET A 78 19.379 38.120 -44.351 1.00 35.54 H new ATOM 0 HE3 MET A 78 20.179 39.379 -45.322 1.00 35.54 H new ATOM 1146 N VAL A 79 19.748 40.375 -39.029 1.00 63.22 N ATOM 1147 CA VAL A 79 20.398 40.216 -37.741 1.00 53.31 C ATOM 1148 C VAL A 79 21.145 38.888 -37.698 1.00 34.33 C ATOM 1149 O VAL A 79 20.616 37.872 -37.238 1.00 23.05 O ATOM 1150 CB VAL A 79 19.388 40.285 -36.573 1.00 51.15 C ATOM 1151 CG1 VAL A 79 20.113 40.292 -35.232 1.00 62.34 C ATOM 1152 CG2 VAL A 79 18.496 41.513 -36.703 1.00 20.14 C ATOM 0 H VAL A 79 18.832 39.931 -39.099 1.00 63.22 H new ATOM 0 HA VAL A 79 21.101 41.041 -37.622 1.00 53.31 H new ATOM 0 HB VAL A 79 18.758 39.397 -36.618 1.00 51.15 H new ATOM 0 HG11 VAL A 79 19.383 40.341 -34.424 1.00 62.34 H new ATOM 0 HG12 VAL A 79 20.704 39.381 -35.133 1.00 62.34 H new ATOM 0 HG13 VAL A 79 20.772 41.159 -35.179 1.00 62.34 H new ATOM 0 HG21 VAL A 79 17.793 41.542 -35.871 1.00 20.14 H new ATOM 0 HG22 VAL A 79 19.111 42.413 -36.689 1.00 20.14 H new ATOM 0 HG23 VAL A 79 17.945 41.465 -37.642 1.00 20.14 H new ATOM 1162 N THR A 80 22.359 38.895 -38.223 1.00 24.24 N ATOM 1163 CA THR A 80 23.191 37.705 -38.247 1.00 43.31 C ATOM 1164 C THR A 80 23.810 37.470 -36.867 1.00 22.22 C ATOM 1165 O THR A 80 23.556 38.230 -35.929 1.00 20.53 O ATOM 1166 CB THR A 80 24.297 37.841 -39.311 1.00 4.42 C ATOM 1167 OG1 THR A 80 23.906 38.821 -40.281 1.00 23.43 O ATOM 1168 CG2 THR A 80 24.549 36.513 -40.016 1.00 23.11 C ATOM 0 H THR A 80 22.792 39.718 -38.641 1.00 24.24 H new ATOM 0 HA THR A 80 22.568 36.849 -38.505 1.00 43.31 H new ATOM 0 HB THR A 80 25.216 38.148 -38.811 1.00 4.42 H new ATOM 0 HG1 THR A 80 24.208 39.707 -39.991 1.00 23.43 H new ATOM 0 HG21 THR A 80 25.334 36.640 -40.761 1.00 23.11 H new ATOM 0 HG22 THR A 80 24.859 35.766 -39.285 1.00 23.11 H new ATOM 0 HG23 THR A 80 23.634 36.182 -40.506 1.00 23.11 H new ATOM 1176 N ASN A 81 24.612 36.426 -36.736 1.00 12.13 N ATOM 1177 CA ASN A 81 25.203 36.091 -35.448 1.00 13.33 C ATOM 1178 C ASN A 81 26.321 37.065 -35.101 1.00 53.52 C ATOM 1179 O ASN A 81 26.333 37.648 -34.018 1.00 72.31 O ATOM 1180 CB ASN A 81 25.732 34.656 -35.453 1.00 31.34 C ATOM 1181 CG ASN A 81 26.059 34.155 -34.058 1.00 23.22 C ATOM 1182 OD1 ASN A 81 25.189 33.631 -33.362 1.00 55.05 O ATOM 1183 ND2 ASN A 81 27.306 34.293 -33.642 1.00 51.02 N ATOM 0 H ASN A 81 24.868 35.799 -37.499 1.00 12.13 H new ATOM 0 HA ASN A 81 24.426 36.170 -34.688 1.00 13.33 H new ATOM 0 HB2 ASN A 81 24.990 34.000 -35.907 1.00 31.34 H new ATOM 0 HB3 ASN A 81 26.626 34.603 -36.074 1.00 31.34 H new ATOM 0 HD21 ASN A 81 27.575 33.960 -32.716 1.00 51.02 H new ATOM 0 HD22 ASN A 81 28.000 34.732 -34.247 1.00 51.02 H new ATOM 1190 N ASP A 82 27.259 37.246 -36.023 1.00 32.11 N ATOM 1191 CA ASP A 82 28.390 38.144 -35.790 1.00 24.13 C ATOM 1192 C ASP A 82 28.475 39.227 -36.850 1.00 61.51 C ATOM 1193 O ASP A 82 29.517 39.858 -37.024 1.00 75.51 O ATOM 1194 CB ASP A 82 29.706 37.362 -35.744 1.00 23.52 C ATOM 1195 CG ASP A 82 29.808 36.481 -34.520 1.00 72.21 C ATOM 1196 OD1 ASP A 82 30.034 37.014 -33.413 1.00 63.25 O ATOM 1197 OD2 ASP A 82 29.654 35.251 -34.653 1.00 30.43 O1- ATOM 0 H ASP A 82 27.262 36.787 -36.934 1.00 32.11 H new ATOM 0 HA ASP A 82 28.224 38.623 -34.825 1.00 24.13 H new ATOM 0 HB2 ASP A 82 29.792 36.747 -36.640 1.00 23.52 H new ATOM 0 HB3 ASP A 82 30.542 38.061 -35.756 1.00 23.52 H new ATOM 1202 N TYR A 83 27.376 39.454 -37.550 1.00 2.10 N ATOM 1203 CA TYR A 83 27.319 40.502 -38.558 1.00 61.22 C ATOM 1204 C TYR A 83 26.035 41.303 -38.438 1.00 25.13 C ATOM 1205 O TYR A 83 24.945 40.794 -38.697 1.00 35.42 O ATOM 1206 CB TYR A 83 27.443 39.917 -39.966 1.00 22.35 C ATOM 1207 CG TYR A 83 28.867 39.625 -40.367 1.00 63.34 C ATOM 1208 CD1 TYR A 83 29.395 38.347 -40.265 1.00 54.31 C ATOM 1209 CD2 TYR A 83 29.684 40.639 -40.845 1.00 61.31 C ATOM 1210 CE1 TYR A 83 30.705 38.088 -40.624 1.00 54.50 C ATOM 1211 CE2 TYR A 83 30.990 40.390 -41.207 1.00 43.02 C ATOM 1212 CZ TYR A 83 31.496 39.113 -41.099 1.00 0.23 C ATOM 1213 OH TYR A 83 32.804 38.869 -41.447 1.00 35.22 O ATOM 0 H TYR A 83 26.510 38.927 -37.439 1.00 2.10 H new ATOM 0 HA TYR A 83 28.162 41.170 -38.385 1.00 61.22 H new ATOM 0 HB2 TYR A 83 26.861 38.997 -40.022 1.00 22.35 H new ATOM 0 HB3 TYR A 83 27.007 40.614 -40.681 1.00 22.35 H new ATOM 0 HD1 TYR A 83 28.774 37.542 -39.900 1.00 54.31 H new ATOM 0 HD2 TYR A 83 29.290 41.640 -40.935 1.00 61.31 H new ATOM 0 HE1 TYR A 83 31.106 37.089 -40.533 1.00 54.50 H new ATOM 0 HE2 TYR A 83 31.614 41.192 -41.574 1.00 43.02 H new ATOM 0 HH TYR A 83 33.400 39.295 -40.797 1.00 35.22 H new ATOM 1223 N ILE A 84 26.172 42.553 -38.033 1.00 71.04 N ATOM 1224 CA ILE A 84 25.030 43.443 -37.923 1.00 33.43 C ATOM 1225 C ILE A 84 24.973 44.349 -39.145 1.00 24.33 C ATOM 1226 O ILE A 84 25.784 45.266 -39.292 1.00 13.30 O ATOM 1227 CB ILE A 84 25.072 44.310 -36.636 1.00 35.11 C ATOM 1228 CG1 ILE A 84 25.112 43.440 -35.368 1.00 70.51 C ATOM 1229 CG2 ILE A 84 23.868 45.245 -36.592 1.00 63.41 C ATOM 1230 CD1 ILE A 84 26.480 42.879 -35.037 1.00 21.15 C ATOM 0 H ILE A 84 27.064 42.975 -37.775 1.00 71.04 H new ATOM 0 HA ILE A 84 24.137 42.821 -37.866 1.00 33.43 H new ATOM 0 HB ILE A 84 25.987 44.902 -36.664 1.00 35.11 H new ATOM 0 HG12 ILE A 84 24.762 44.034 -34.523 1.00 70.51 H new ATOM 0 HG13 ILE A 84 24.413 42.613 -35.488 1.00 70.51 H new ATOM 0 HG21 ILE A 84 23.908 45.848 -35.685 1.00 63.41 H new ATOM 0 HG22 ILE A 84 23.883 45.899 -37.464 1.00 63.41 H new ATOM 0 HG23 ILE A 84 22.950 44.657 -36.596 1.00 63.41 H new ATOM 0 HD11 ILE A 84 26.417 42.279 -34.129 1.00 21.15 H new ATOM 0 HD12 ILE A 84 26.827 42.256 -35.861 1.00 21.15 H new ATOM 0 HD13 ILE A 84 27.182 43.699 -34.882 1.00 21.15 H new ATOM 1242 N VAL A 85 24.038 44.068 -40.039 1.00 45.21 N ATOM 1243 CA VAL A 85 23.890 44.852 -41.251 1.00 41.00 C ATOM 1244 C VAL A 85 22.524 45.527 -41.288 1.00 52.13 C ATOM 1245 O VAL A 85 21.482 44.869 -41.207 1.00 43.50 O ATOM 1246 CB VAL A 85 24.111 43.990 -42.522 1.00 62.43 C ATOM 1247 CG1 VAL A 85 23.192 42.778 -42.547 1.00 1.04 C ATOM 1248 CG2 VAL A 85 23.931 44.831 -43.776 1.00 64.33 C ATOM 0 H VAL A 85 23.371 43.302 -39.946 1.00 45.21 H new ATOM 0 HA VAL A 85 24.660 45.623 -41.241 1.00 41.00 H new ATOM 0 HB VAL A 85 25.136 43.620 -42.496 1.00 62.43 H new ATOM 0 HG11 VAL A 85 23.377 42.200 -43.452 1.00 1.04 H new ATOM 0 HG12 VAL A 85 23.386 42.156 -41.673 1.00 1.04 H new ATOM 0 HG13 VAL A 85 22.153 43.109 -42.534 1.00 1.04 H new ATOM 0 HG21 VAL A 85 24.090 44.209 -44.657 1.00 64.33 H new ATOM 0 HG22 VAL A 85 22.921 45.240 -43.798 1.00 64.33 H new ATOM 0 HG23 VAL A 85 24.653 45.648 -43.773 1.00 64.33 H new ATOM 1258 N ASP A 86 22.541 46.847 -41.378 1.00 31.13 N ATOM 1259 CA ASP A 86 21.314 47.624 -41.419 1.00 20.21 C ATOM 1260 C ASP A 86 21.431 48.740 -42.446 1.00 24.31 C ATOM 1261 O ASP A 86 22.455 49.429 -42.519 1.00 74.51 O ATOM 1262 CB ASP A 86 21.008 48.212 -40.039 1.00 4.42 C ATOM 1263 CG ASP A 86 19.667 48.914 -39.992 1.00 33.31 C ATOM 1264 OD1 ASP A 86 18.679 48.287 -39.558 1.00 21.44 O ATOM 1265 OD2 ASP A 86 19.588 50.089 -40.395 1.00 45.22 O1- ATOM 0 H ASP A 86 23.394 47.404 -41.424 1.00 31.13 H new ATOM 0 HA ASP A 86 20.496 46.963 -41.707 1.00 20.21 H new ATOM 0 HB2 ASP A 86 21.023 47.414 -39.296 1.00 4.42 H new ATOM 0 HB3 ASP A 86 21.793 48.917 -39.766 1.00 4.42 H new ATOM 1270 N ILE A 87 20.393 48.902 -43.251 1.00 70.13 N ATOM 1271 CA ILE A 87 20.373 49.944 -44.260 1.00 11.31 C ATOM 1272 C ILE A 87 19.777 51.223 -43.681 1.00 5.45 C ATOM 1273 O ILE A 87 18.556 51.340 -43.526 1.00 31.44 O ATOM 1274 CB ILE A 87 19.570 49.523 -45.509 1.00 73.15 C ATOM 1275 CG1 ILE A 87 20.087 48.183 -46.039 1.00 41.53 C ATOM 1276 CG2 ILE A 87 19.661 50.600 -46.586 1.00 33.35 C ATOM 1277 CD1 ILE A 87 19.310 47.662 -47.229 1.00 31.30 C ATOM 0 H ILE A 87 19.553 48.324 -43.224 1.00 70.13 H new ATOM 0 HA ILE A 87 21.404 50.119 -44.566 1.00 11.31 H new ATOM 0 HB ILE A 87 18.522 49.405 -45.232 1.00 73.15 H new ATOM 0 HG12 ILE A 87 21.135 48.292 -46.319 1.00 41.53 H new ATOM 0 HG13 ILE A 87 20.047 47.445 -45.238 1.00 41.53 H new ATOM 0 HG21 ILE A 87 19.090 50.289 -47.461 1.00 33.35 H new ATOM 0 HG22 ILE A 87 19.254 51.535 -46.201 1.00 33.35 H new ATOM 0 HG23 ILE A 87 20.704 50.746 -46.867 1.00 33.35 H new ATOM 0 HD11 ILE A 87 19.732 46.710 -47.551 1.00 31.30 H new ATOM 0 HD12 ILE A 87 18.266 47.520 -46.948 1.00 31.30 H new ATOM 0 HD13 ILE A 87 19.371 48.381 -48.046 1.00 31.30 H new ATOM 1289 N ALA A 88 20.643 52.160 -43.334 1.00 34.53 N ATOM 1290 CA ALA A 88 20.210 53.441 -42.802 1.00 21.21 C ATOM 1291 C ALA A 88 20.028 54.439 -43.932 1.00 23.43 C ATOM 1292 O ALA A 88 20.619 54.278 -45.003 1.00 54.14 O ATOM 1293 CB ALA A 88 21.220 53.955 -41.787 1.00 40.44 C ATOM 0 H ALA A 88 21.655 52.057 -43.412 1.00 34.53 H new ATOM 0 HA ALA A 88 19.252 53.312 -42.298 1.00 21.21 H new ATOM 0 HB1 ALA A 88 20.885 54.915 -41.395 1.00 40.44 H new ATOM 0 HB2 ALA A 88 21.310 53.240 -40.969 1.00 40.44 H new ATOM 0 HB3 ALA A 88 22.190 54.078 -42.269 1.00 40.44 H new ATOM 1299 N ASN A 89 19.208 55.454 -43.702 1.00 52.24 N ATOM 1300 CA ASN A 89 18.957 56.469 -44.713 1.00 21.13 C ATOM 1301 C ASN A 89 19.194 57.857 -44.136 1.00 22.12 C ATOM 1302 O ASN A 89 18.656 58.208 -43.082 1.00 62.21 O ATOM 1303 CB ASN A 89 17.524 56.350 -45.255 1.00 44.43 C ATOM 1304 CG ASN A 89 17.235 57.270 -46.439 1.00 51.24 C ATOM 1305 OD1 ASN A 89 17.769 58.373 -46.548 1.00 34.21 O ATOM 1306 ND2 ASN A 89 16.393 56.805 -47.349 1.00 52.10 N ATOM 0 H ASN A 89 18.706 55.596 -42.825 1.00 52.24 H new ATOM 0 HA ASN A 89 19.649 56.312 -45.540 1.00 21.13 H new ATOM 0 HB2 ASN A 89 17.344 55.318 -45.556 1.00 44.43 H new ATOM 0 HB3 ASN A 89 16.822 56.575 -44.452 1.00 44.43 H new ATOM 0 HD21 ASN A 89 16.170 57.366 -48.171 1.00 52.10 H new ATOM 0 HD22 ASN A 89 15.968 55.886 -47.228 1.00 52.10 H new ATOM 1313 N ARG A 90 20.015 58.632 -44.819 1.00 34.23 N ATOM 1314 CA ARG A 90 20.262 60.009 -44.439 1.00 61.53 C ATOM 1315 C ARG A 90 20.184 60.910 -45.662 1.00 14.51 C ATOM 1316 O ARG A 90 20.975 60.766 -46.592 1.00 31.12 O ATOM 1317 CB ARG A 90 21.633 60.150 -43.775 1.00 1.00 C ATOM 1318 CG ARG A 90 21.990 61.589 -43.437 1.00 75.44 C ATOM 1319 CD ARG A 90 23.406 61.709 -42.911 1.00 14.21 C ATOM 1320 NE ARG A 90 23.797 63.107 -42.743 1.00 45.22 N ATOM 1321 CZ ARG A 90 24.890 63.500 -42.095 1.00 45.51 C ATOM 1322 NH1 ARG A 90 25.697 62.602 -41.545 1.00 34.45 N1+ ATOM 1323 NH2 ARG A 90 25.183 64.791 -42.010 1.00 21.12 N ATOM 0 H ARG A 90 20.526 58.327 -45.647 1.00 34.23 H new ATOM 0 HA ARG A 90 19.498 60.310 -43.723 1.00 61.53 H new ATOM 0 HB2 ARG A 90 21.650 59.554 -42.862 1.00 1.00 H new ATOM 0 HB3 ARG A 90 22.395 59.740 -44.438 1.00 1.00 H new ATOM 0 HG2 ARG A 90 21.879 62.210 -44.326 1.00 75.44 H new ATOM 0 HG3 ARG A 90 21.292 61.971 -42.692 1.00 75.44 H new ATOM 0 HD2 ARG A 90 23.486 61.190 -41.956 1.00 14.21 H new ATOM 0 HD3 ARG A 90 24.094 61.218 -43.599 1.00 14.21 H new ATOM 0 HE ARG A 90 23.195 63.825 -43.147 1.00 45.22 H new ATOM 0 HH11 ARG A 90 25.480 61.608 -41.619 1.00 34.45 H new ATOM 0 HH12 ARG A 90 26.535 62.905 -41.049 1.00 34.45 H new ATOM 0 HH21 ARG A 90 24.570 65.483 -42.442 1.00 21.12 H new ATOM 0 HH22 ARG A 90 26.021 65.092 -41.513 1.00 21.12 H new ATOM 1337 N ASP A 91 19.202 61.808 -45.667 1.00 14.33 N ATOM 1338 CA ASP A 91 19.050 62.801 -46.733 1.00 71.02 C ATOM 1339 C ASP A 91 18.794 62.137 -48.081 1.00 43.52 C ATOM 1340 O ASP A 91 19.141 62.683 -49.132 1.00 61.51 O ATOM 1341 CB ASP A 91 20.281 63.712 -46.816 1.00 34.34 C ATOM 1342 CG ASP A 91 20.398 64.630 -45.618 1.00 2.00 C ATOM 1343 OD1 ASP A 91 19.471 65.439 -45.396 1.00 21.24 O ATOM 1344 OD2 ASP A 91 21.418 64.565 -44.901 1.00 32.31 O1- ATOM 0 H ASP A 91 18.492 61.870 -44.938 1.00 14.33 H new ATOM 0 HA ASP A 91 18.182 63.412 -46.485 1.00 71.02 H new ATOM 0 HB2 ASP A 91 21.179 63.099 -46.891 1.00 34.34 H new ATOM 0 HB3 ASP A 91 20.227 64.310 -47.726 1.00 34.34 H new ATOM 1349 N GLY A 92 18.162 60.971 -48.048 1.00 75.32 N ATOM 1350 CA GLY A 92 17.843 60.267 -49.274 1.00 62.34 C ATOM 1351 C GLY A 92 18.994 59.426 -49.775 1.00 52.21 C ATOM 1352 O GLY A 92 19.137 59.201 -50.978 1.00 23.30 O ATOM 0 H GLY A 92 17.865 60.500 -47.193 1.00 75.32 H new ATOM 0 HA2 GLY A 92 16.976 59.628 -49.107 1.00 62.34 H new ATOM 0 HA3 GLY A 92 17.564 60.989 -50.041 1.00 62.34 H new ATOM 1356 N GLN A 93 19.828 58.974 -48.854 1.00 55.42 N ATOM 1357 CA GLN A 93 20.923 58.082 -49.190 1.00 43.03 C ATOM 1358 C GLN A 93 20.765 56.771 -48.444 1.00 53.23 C ATOM 1359 O GLN A 93 20.678 56.753 -47.218 1.00 62.41 O ATOM 1360 CB GLN A 93 22.274 58.720 -48.849 1.00 32.14 C ATOM 1361 CG GLN A 93 22.605 59.944 -49.690 1.00 62.32 C ATOM 1362 CD GLN A 93 22.913 59.605 -51.136 1.00 5.43 C ATOM 1363 OE1 GLN A 93 24.064 59.369 -51.500 1.00 25.23 O ATOM 1364 NE2 GLN A 93 21.888 59.584 -51.972 1.00 33.20 N ATOM 0 H GLN A 93 19.767 59.212 -47.864 1.00 55.42 H new ATOM 0 HA GLN A 93 20.897 57.893 -50.263 1.00 43.03 H new ATOM 0 HB2 GLN A 93 22.276 59.003 -47.796 1.00 32.14 H new ATOM 0 HB3 GLN A 93 23.060 57.977 -48.981 1.00 32.14 H new ATOM 0 HG2 GLN A 93 21.766 60.639 -49.656 1.00 62.32 H new ATOM 0 HG3 GLN A 93 23.461 60.457 -49.253 1.00 62.32 H new ATOM 0 HE21 GLN A 93 20.948 59.785 -51.631 1.00 33.20 H new ATOM 0 HE22 GLN A 93 22.038 59.366 -52.957 1.00 33.20 H new ATOM 1373 N LEU A 94 20.723 55.681 -49.189 1.00 22.14 N ATOM 1374 CA LEU A 94 20.593 54.361 -48.599 1.00 50.31 C ATOM 1375 C LEU A 94 21.966 53.759 -48.393 1.00 43.43 C ATOM 1376 O LEU A 94 22.750 53.646 -49.335 1.00 52.24 O ATOM 1377 CB LEU A 94 19.744 53.439 -49.484 1.00 41.23 C ATOM 1378 CG LEU A 94 18.231 53.689 -49.442 1.00 41.02 C ATOM 1379 CD1 LEU A 94 17.710 53.561 -48.019 1.00 1.43 C ATOM 1380 CD2 LEU A 94 17.889 55.053 -50.016 1.00 42.11 C ATOM 0 H LEU A 94 20.777 55.684 -50.208 1.00 22.14 H new ATOM 0 HA LEU A 94 20.090 54.463 -47.638 1.00 50.31 H new ATOM 0 HB2 LEU A 94 20.083 53.542 -50.515 1.00 41.23 H new ATOM 0 HB3 LEU A 94 19.932 52.407 -49.188 1.00 41.23 H new ATOM 0 HG LEU A 94 17.745 52.933 -50.058 1.00 41.02 H new ATOM 0 HD11 LEU A 94 16.635 53.741 -48.007 1.00 1.43 H new ATOM 0 HD12 LEU A 94 17.913 52.557 -47.646 1.00 1.43 H new ATOM 0 HD13 LEU A 94 18.207 54.293 -47.382 1.00 1.43 H new ATOM 0 HD21 LEU A 94 16.810 55.205 -49.974 1.00 42.11 H new ATOM 0 HD22 LEU A 94 18.388 55.828 -49.434 1.00 42.11 H new ATOM 0 HD23 LEU A 94 18.223 55.106 -51.052 1.00 42.11 H new ATOM 1392 N GLN A 95 22.264 53.400 -47.161 1.00 22.34 N ATOM 1393 CA GLN A 95 23.570 52.870 -46.832 1.00 52.10 C ATOM 1394 C GLN A 95 23.483 51.449 -46.305 1.00 55.53 C ATOM 1395 O GLN A 95 23.038 51.217 -45.179 1.00 20.22 O ATOM 1396 CB GLN A 95 24.264 53.775 -45.818 1.00 54.30 C ATOM 1397 CG GLN A 95 24.593 55.144 -46.380 1.00 4.25 C ATOM 1398 CD GLN A 95 25.407 56.011 -45.440 1.00 5.40 C ATOM 1399 OE1 GLN A 95 26.242 55.392 -44.622 1.00 14.41 O flip ATOM 1400 NE2 GLN A 95 25.299 57.234 -45.465 1.00 5.31 N flip ATOM 0 H GLN A 95 21.620 53.466 -46.373 1.00 22.34 H new ATOM 0 HA GLN A 95 24.160 52.843 -47.748 1.00 52.10 H new ATOM 0 HB2 GLN A 95 23.624 53.891 -44.943 1.00 54.30 H new ATOM 0 HB3 GLN A 95 25.183 53.296 -45.479 1.00 54.30 H new ATOM 0 HG2 GLN A 95 25.142 55.021 -47.313 1.00 4.25 H new ATOM 0 HG3 GLN A 95 23.664 55.660 -46.623 1.00 4.25 H new ATOM 0 HE21 GLN A 95 24.644 57.675 -46.110 1.00 5.31 H new ATOM 0 HE22 GLN A 95 25.865 57.809 -44.841 1.00 5.31 H new ATOM 1409 N LEU A 96 23.897 50.503 -47.134 1.00 75.11 N ATOM 1410 CA LEU A 96 24.019 49.118 -46.720 1.00 53.33 C ATOM 1411 C LEU A 96 25.300 48.973 -45.914 1.00 12.32 C ATOM 1412 O LEU A 96 26.366 48.694 -46.457 1.00 51.50 O ATOM 1413 CB LEU A 96 24.041 48.190 -47.942 1.00 11.23 C ATOM 1414 CG LEU A 96 24.148 46.692 -47.643 1.00 54.15 C ATOM 1415 CD1 LEU A 96 22.900 46.194 -46.931 1.00 12.31 C ATOM 1416 CD2 LEU A 96 24.384 45.912 -48.929 1.00 11.35 C ATOM 0 H LEU A 96 24.156 50.674 -48.106 1.00 75.11 H new ATOM 0 HA LEU A 96 23.162 48.836 -46.108 1.00 53.33 H new ATOM 0 HB2 LEU A 96 23.133 48.361 -48.520 1.00 11.23 H new ATOM 0 HB3 LEU A 96 24.881 48.475 -48.575 1.00 11.23 H new ATOM 0 HG LEU A 96 24.999 46.532 -46.981 1.00 54.15 H new ATOM 0 HD11 LEU A 96 22.998 45.127 -46.728 1.00 12.31 H new ATOM 0 HD12 LEU A 96 22.778 46.732 -45.991 1.00 12.31 H new ATOM 0 HD13 LEU A 96 22.028 46.365 -47.563 1.00 12.31 H new ATOM 0 HD21 LEU A 96 24.458 44.849 -48.701 1.00 11.35 H new ATOM 0 HD22 LEU A 96 23.553 46.079 -49.614 1.00 11.35 H new ATOM 0 HD23 LEU A 96 25.311 46.249 -49.394 1.00 11.35 H new ATOM 1428 N ASN A 97 25.202 49.223 -44.625 1.00 24.34 N ATOM 1429 CA ASN A 97 26.379 49.284 -43.783 1.00 24.31 C ATOM 1430 C ASN A 97 26.391 48.134 -42.785 1.00 43.41 C ATOM 1431 O ASN A 97 25.554 48.066 -41.881 1.00 33.42 O ATOM 1432 CB ASN A 97 26.420 50.643 -43.082 1.00 32.34 C ATOM 1433 CG ASN A 97 27.682 50.874 -42.277 1.00 4.11 C ATOM 1434 OD1 ASN A 97 28.707 50.230 -42.494 1.00 11.22 O ATOM 1435 ND2 ASN A 97 27.631 51.846 -41.382 1.00 2.51 N ATOM 0 H ASN A 97 24.321 49.387 -44.138 1.00 24.34 H new ATOM 0 HA ASN A 97 27.274 49.179 -44.396 1.00 24.31 H new ATOM 0 HB2 ASN A 97 26.327 51.431 -43.830 1.00 32.34 H new ATOM 0 HB3 ASN A 97 25.557 50.727 -42.421 1.00 32.34 H new ATOM 0 HD21 ASN A 97 28.462 52.086 -40.841 1.00 2.51 H new ATOM 0 HD22 ASN A 97 26.761 52.356 -41.232 1.00 2.51 H new ATOM 1442 N VAL A 98 27.331 47.221 -42.978 1.00 45.14 N ATOM 1443 CA VAL A 98 27.443 46.041 -42.135 1.00 72.02 C ATOM 1444 C VAL A 98 28.654 46.151 -41.209 1.00 15.31 C ATOM 1445 O VAL A 98 29.738 46.566 -41.627 1.00 42.35 O ATOM 1446 CB VAL A 98 27.535 44.749 -42.985 1.00 44.14 C ATOM 1447 CG1 VAL A 98 28.720 44.799 -43.939 1.00 50.42 C ATOM 1448 CG2 VAL A 98 27.603 43.511 -42.101 1.00 24.02 C ATOM 0 H VAL A 98 28.032 47.276 -43.717 1.00 45.14 H new ATOM 0 HA VAL A 98 26.541 45.984 -41.526 1.00 72.02 H new ATOM 0 HB VAL A 98 26.626 44.685 -43.583 1.00 44.14 H new ATOM 0 HG11 VAL A 98 28.757 43.878 -44.521 1.00 50.42 H new ATOM 0 HG12 VAL A 98 28.610 45.650 -44.612 1.00 50.42 H new ATOM 0 HG13 VAL A 98 29.642 44.905 -43.368 1.00 50.42 H new ATOM 0 HG21 VAL A 98 27.667 42.620 -42.726 1.00 24.02 H new ATOM 0 HG22 VAL A 98 28.483 43.569 -41.461 1.00 24.02 H new ATOM 0 HG23 VAL A 98 26.707 43.456 -41.482 1.00 24.02 H new ATOM 1458 N THR A 99 28.456 45.808 -39.948 1.00 13.53 N ATOM 1459 CA THR A 99 29.529 45.846 -38.972 1.00 63.52 C ATOM 1460 C THR A 99 29.824 44.447 -38.435 1.00 34.14 C ATOM 1461 O THR A 99 28.923 43.749 -37.954 1.00 52.04 O ATOM 1462 CB THR A 99 29.172 46.792 -37.807 1.00 15.12 C ATOM 1463 OG1 THR A 99 28.790 48.073 -38.329 1.00 32.14 O ATOM 1464 CG2 THR A 99 30.349 46.962 -36.857 1.00 64.32 C ATOM 0 H THR A 99 27.558 45.499 -39.576 1.00 13.53 H new ATOM 0 HA THR A 99 30.422 46.224 -39.470 1.00 63.52 H new ATOM 0 HB THR A 99 28.343 46.353 -37.252 1.00 15.12 H new ATOM 0 HG1 THR A 99 28.562 48.673 -37.589 1.00 32.14 H new ATOM 0 HG21 THR A 99 30.068 47.634 -36.046 1.00 64.32 H new ATOM 0 HG22 THR A 99 30.627 45.992 -36.445 1.00 64.32 H new ATOM 0 HG23 THR A 99 31.196 47.382 -37.399 1.00 64.32 H new ATOM 1472 N ASP A 100 31.079 44.033 -38.555 1.00 61.11 N ATOM 1473 CA ASP A 100 31.529 42.757 -38.010 1.00 23.41 C ATOM 1474 C ASP A 100 31.581 42.851 -36.490 1.00 63.40 C ATOM 1475 O ASP A 100 32.044 43.853 -35.945 1.00 62.23 O ATOM 1476 CB ASP A 100 32.918 42.413 -38.550 1.00 14.41 C ATOM 1477 CG ASP A 100 33.323 40.967 -38.318 1.00 53.52 C ATOM 1478 OD1 ASP A 100 33.722 40.293 -39.288 1.00 4.12 O ATOM 1479 OD2 ASP A 100 33.281 40.509 -37.163 1.00 11.31 O1- ATOM 0 H ASP A 100 31.808 44.566 -39.028 1.00 61.11 H new ATOM 0 HA ASP A 100 30.832 41.974 -38.308 1.00 23.41 H new ATOM 0 HB2 ASP A 100 32.944 42.621 -39.620 1.00 14.41 H new ATOM 0 HB3 ASP A 100 33.653 43.067 -38.080 1.00 14.41 H new ATOM 1484 N ARG A 101 31.113 41.815 -35.816 1.00 1.22 N ATOM 1485 CA ARG A 101 31.042 41.810 -34.360 1.00 70.42 C ATOM 1486 C ARG A 101 32.399 41.438 -33.757 1.00 41.44 C ATOM 1487 O ARG A 101 32.740 41.867 -32.653 1.00 3.54 O ATOM 1488 CB ARG A 101 29.954 40.821 -33.912 1.00 70.04 C ATOM 1489 CG ARG A 101 29.446 41.028 -32.492 1.00 12.41 C ATOM 1490 CD ARG A 101 30.402 40.475 -31.446 1.00 13.24 C ATOM 1491 NE ARG A 101 30.591 39.031 -31.581 1.00 14.53 N ATOM 1492 CZ ARG A 101 31.156 38.265 -30.655 1.00 32.32 C ATOM 1493 NH1 ARG A 101 31.684 38.815 -29.565 1.00 20.33 N1+ ATOM 1494 NH2 ARG A 101 31.219 36.950 -30.833 1.00 52.25 N ATOM 0 H ARG A 101 30.774 40.959 -36.255 1.00 1.22 H new ATOM 0 HA ARG A 101 30.785 42.808 -34.006 1.00 70.42 H new ATOM 0 HB2 ARG A 101 29.111 40.895 -34.599 1.00 70.04 H new ATOM 0 HB3 ARG A 101 30.347 39.808 -33.998 1.00 70.04 H new ATOM 0 HG2 ARG A 101 29.295 42.093 -32.315 1.00 12.41 H new ATOM 0 HG3 ARG A 101 28.475 40.546 -32.383 1.00 12.41 H new ATOM 0 HD2 ARG A 101 31.366 40.976 -31.536 1.00 13.24 H new ATOM 0 HD3 ARG A 101 30.018 40.698 -30.451 1.00 13.24 H new ATOM 0 HE ARG A 101 30.269 38.585 -32.440 1.00 14.53 H new ATOM 0 HH11 ARG A 101 31.655 39.827 -29.439 1.00 20.33 H new ATOM 0 HH12 ARG A 101 32.118 38.225 -28.855 1.00 20.33 H new ATOM 0 HH21 ARG A 101 30.834 36.531 -31.679 1.00 52.25 H new ATOM 0 HH22 ARG A 101 31.652 36.359 -30.123 1.00 52.25 H new ATOM 1508 N LYS A 102 33.174 40.658 -34.498 1.00 25.22 N ATOM 1509 CA LYS A 102 34.441 40.134 -33.999 1.00 51.24 C ATOM 1510 C LYS A 102 35.621 40.895 -34.591 1.00 24.03 C ATOM 1511 O LYS A 102 36.525 41.323 -33.874 1.00 61.52 O ATOM 1512 CB LYS A 102 34.582 38.651 -34.349 1.00 63.24 C ATOM 1513 CG LYS A 102 33.398 37.800 -33.924 1.00 64.00 C ATOM 1514 CD LYS A 102 33.600 36.341 -34.299 1.00 42.35 C ATOM 1515 CE LYS A 102 33.749 36.170 -35.803 1.00 32.33 C ATOM 1516 NZ LYS A 102 34.052 34.765 -36.177 1.00 73.14 N1+ ATOM 0 H LYS A 102 32.948 40.372 -35.451 1.00 25.22 H new ATOM 0 HA LYS A 102 34.443 40.259 -32.916 1.00 51.24 H new ATOM 0 HB2 LYS A 102 34.718 38.554 -35.426 1.00 63.24 H new ATOM 0 HB3 LYS A 102 35.484 38.261 -33.877 1.00 63.24 H new ATOM 0 HG2 LYS A 102 33.256 37.884 -32.847 1.00 64.00 H new ATOM 0 HG3 LYS A 102 32.490 38.176 -34.395 1.00 64.00 H new ATOM 0 HD2 LYS A 102 34.487 35.954 -33.798 1.00 42.35 H new ATOM 0 HD3 LYS A 102 32.753 35.753 -33.947 1.00 42.35 H new ATOM 0 HE2 LYS A 102 32.830 36.486 -36.296 1.00 32.33 H new ATOM 0 HE3 LYS A 102 34.545 36.821 -36.165 1.00 32.33 H new ATOM 0 HZ1 LYS A 102 34.145 34.693 -37.210 1.00 73.14 H new ATOM 0 HZ2 LYS A 102 34.942 34.470 -35.728 1.00 73.14 H new ATOM 0 HZ3 LYS A 102 33.281 34.146 -35.855 1.00 73.14 H new ATOM 1530 N THR A 103 35.607 41.045 -35.905 1.00 32.11 N ATOM 1531 CA THR A 103 36.714 41.660 -36.619 1.00 65.25 C ATOM 1532 C THR A 103 36.538 43.176 -36.696 1.00 51.12 C ATOM 1533 O THR A 103 37.470 43.908 -37.031 1.00 72.12 O ATOM 1534 CB THR A 103 36.823 41.081 -38.042 1.00 3.51 C ATOM 1535 OG1 THR A 103 36.178 39.798 -38.101 1.00 71.14 O ATOM 1536 CG2 THR A 103 38.279 40.928 -38.450 1.00 15.44 C ATOM 0 H THR A 103 34.836 40.747 -36.502 1.00 32.11 H new ATOM 0 HA THR A 103 37.630 41.441 -36.070 1.00 65.25 H new ATOM 0 HB THR A 103 36.333 41.771 -38.729 1.00 3.51 H new ATOM 0 HG1 THR A 103 36.250 39.437 -39.009 1.00 71.14 H new ATOM 0 HG21 THR A 103 38.333 40.517 -39.458 1.00 15.44 H new ATOM 0 HG22 THR A 103 38.767 41.902 -38.428 1.00 15.44 H new ATOM 0 HG23 THR A 103 38.782 40.254 -37.757 1.00 15.44 H new ATOM 1544 N GLY A 104 35.329 43.634 -36.400 1.00 65.24 N ATOM 1545 CA GLY A 104 35.041 45.056 -36.398 1.00 42.41 C ATOM 1546 C GLY A 104 35.101 45.684 -37.778 1.00 24.42 C ATOM 1547 O GLY A 104 35.199 46.904 -37.909 1.00 13.23 O ATOM 0 H GLY A 104 34.535 43.040 -36.159 1.00 65.24 H new ATOM 0 HA2 GLY A 104 34.049 45.218 -35.976 1.00 42.41 H new ATOM 0 HA3 GLY A 104 35.752 45.562 -35.745 1.00 42.41 H new ATOM 1551 N GLN A 105 35.050 44.850 -38.809 1.00 51.35 N ATOM 1552 CA GLN A 105 35.032 45.330 -40.182 1.00 72.04 C ATOM 1553 C GLN A 105 33.784 46.163 -40.429 1.00 12.40 C ATOM 1554 O GLN A 105 32.664 45.703 -40.201 1.00 64.30 O ATOM 1555 CB GLN A 105 35.080 44.156 -41.163 1.00 71.44 C ATOM 1556 CG GLN A 105 36.338 43.312 -41.052 1.00 11.23 C ATOM 1557 CD GLN A 105 37.601 44.119 -41.271 1.00 44.43 C ATOM 1558 OE1 GLN A 105 38.165 44.636 -40.193 1.00 42.45 O flip ATOM 1559 NE2 GLN A 105 38.068 44.270 -42.398 1.00 23.32 N flip ATOM 0 H GLN A 105 35.020 43.834 -38.718 1.00 51.35 H new ATOM 0 HA GLN A 105 35.913 45.952 -40.341 1.00 72.04 H new ATOM 0 HB2 GLN A 105 34.211 43.519 -40.995 1.00 71.44 H new ATOM 0 HB3 GLN A 105 35.001 44.541 -42.180 1.00 71.44 H new ATOM 0 HG2 GLN A 105 36.374 42.848 -40.066 1.00 11.23 H new ATOM 0 HG3 GLN A 105 36.295 42.505 -41.783 1.00 11.23 H new ATOM 0 HE21 GLN A 105 37.601 43.854 -43.204 1.00 23.32 H new ATOM 0 HE22 GLN A 105 38.923 44.811 -42.528 1.00 23.32 H new ATOM 1568 N THR A 106 33.985 47.391 -40.871 1.00 25.35 N ATOM 1569 CA THR A 106 32.885 48.293 -41.154 1.00 43.25 C ATOM 1570 C THR A 106 32.772 48.517 -42.656 1.00 44.11 C ATOM 1571 O THR A 106 33.500 49.327 -43.232 1.00 33.22 O ATOM 1572 CB THR A 106 33.083 49.644 -40.443 1.00 61.32 C ATOM 1573 OG1 THR A 106 33.390 49.422 -39.059 1.00 1.35 O ATOM 1574 CG2 THR A 106 31.835 50.509 -40.558 1.00 5.13 C ATOM 0 H THR A 106 34.909 47.789 -41.043 1.00 25.35 H new ATOM 0 HA THR A 106 31.967 47.838 -40.782 1.00 43.25 H new ATOM 0 HB THR A 106 33.910 50.167 -40.924 1.00 61.32 H new ATOM 0 HG1 THR A 106 33.517 50.284 -38.610 1.00 1.35 H new ATOM 0 HG21 THR A 106 32.001 51.458 -40.047 1.00 5.13 H new ATOM 0 HG22 THR A 106 31.618 50.696 -41.610 1.00 5.13 H new ATOM 0 HG23 THR A 106 30.991 49.993 -40.099 1.00 5.13 H new ATOM 1582 N SER A 107 31.879 47.777 -43.290 1.00 30.10 N ATOM 1583 CA SER A 107 31.719 47.851 -44.729 1.00 71.15 C ATOM 1584 C SER A 107 30.475 48.658 -45.072 1.00 42.21 C ATOM 1585 O SER A 107 29.347 48.187 -44.910 1.00 53.14 O ATOM 1586 CB SER A 107 31.629 46.441 -45.319 1.00 62.32 C ATOM 1587 OG SER A 107 31.822 46.449 -46.725 1.00 35.01 O ATOM 0 H SER A 107 31.253 47.117 -42.828 1.00 30.10 H new ATOM 0 HA SER A 107 32.586 48.351 -45.161 1.00 71.15 H new ATOM 0 HB2 SER A 107 32.379 45.802 -44.852 1.00 62.32 H new ATOM 0 HB3 SER A 107 30.655 46.011 -45.087 1.00 62.32 H new ATOM 0 HG SER A 107 31.760 45.533 -47.069 1.00 35.01 H new ATOM 1593 N THR A 108 30.687 49.889 -45.509 1.00 61.34 N ATOM 1594 CA THR A 108 29.591 50.779 -45.838 1.00 45.01 C ATOM 1595 C THR A 108 29.367 50.844 -47.347 1.00 51.14 C ATOM 1596 O THR A 108 30.127 51.485 -48.075 1.00 24.12 O ATOM 1597 CB THR A 108 29.853 52.199 -45.298 1.00 51.54 C ATOM 1598 OG1 THR A 108 30.169 52.133 -43.901 1.00 42.23 O ATOM 1599 CG2 THR A 108 28.641 53.096 -45.500 1.00 12.31 C ATOM 0 H THR A 108 31.613 50.294 -45.644 1.00 61.34 H new ATOM 0 HA THR A 108 28.695 50.377 -45.365 1.00 45.01 H new ATOM 0 HB THR A 108 30.692 52.623 -45.850 1.00 51.54 H new ATOM 0 HG1 THR A 108 29.739 51.346 -43.505 1.00 42.23 H new ATOM 0 HG21 THR A 108 28.855 54.091 -45.109 1.00 12.31 H new ATOM 0 HG22 THR A 108 28.413 53.165 -46.564 1.00 12.31 H new ATOM 0 HG23 THR A 108 27.785 52.676 -44.972 1.00 12.31 H new ATOM 1607 N ILE A 109 28.337 50.157 -47.816 1.00 13.34 N ATOM 1608 CA ILE A 109 27.970 50.201 -49.224 1.00 55.11 C ATOM 1609 C ILE A 109 26.826 51.187 -49.431 1.00 14.15 C ATOM 1610 O ILE A 109 25.659 50.867 -49.193 1.00 1.14 O ATOM 1611 CB ILE A 109 27.562 48.810 -49.779 1.00 61.20 C ATOM 1612 CG1 ILE A 109 28.710 47.795 -49.652 1.00 73.01 C ATOM 1613 CG2 ILE A 109 27.125 48.921 -51.236 1.00 4.42 C ATOM 1614 CD1 ILE A 109 28.846 47.180 -48.274 1.00 12.41 C ATOM 0 H ILE A 109 27.740 49.562 -47.242 1.00 13.34 H new ATOM 0 HA ILE A 109 28.853 50.525 -49.774 1.00 55.11 H new ATOM 0 HB ILE A 109 26.724 48.452 -49.182 1.00 61.20 H new ATOM 0 HG12 ILE A 109 28.557 46.998 -50.380 1.00 73.01 H new ATOM 0 HG13 ILE A 109 29.647 48.289 -49.911 1.00 73.01 H new ATOM 0 HG21 ILE A 109 26.843 47.936 -51.607 1.00 4.42 H new ATOM 0 HG22 ILE A 109 26.271 49.595 -51.309 1.00 4.42 H new ATOM 0 HG23 ILE A 109 27.948 49.312 -51.834 1.00 4.42 H new ATOM 0 HD11 ILE A 109 29.678 46.476 -48.270 1.00 12.41 H new ATOM 0 HD12 ILE A 109 29.032 47.966 -47.542 1.00 12.41 H new ATOM 0 HD13 ILE A 109 27.926 46.655 -48.017 1.00 12.41 H new ATOM 1626 N GLN A 110 27.167 52.398 -49.844 1.00 42.43 N ATOM 1627 CA GLN A 110 26.161 53.406 -50.130 1.00 3.53 C ATOM 1628 C GLN A 110 25.483 53.113 -51.455 1.00 10.22 C ATOM 1629 O GLN A 110 25.961 52.285 -52.234 1.00 61.10 O ATOM 1630 CB GLN A 110 26.779 54.801 -50.175 1.00 51.25 C ATOM 1631 CG GLN A 110 27.066 55.375 -48.806 1.00 2.41 C ATOM 1632 CD GLN A 110 27.663 56.767 -48.866 1.00 4.14 C ATOM 1633 OE1 GLN A 110 27.384 57.536 -49.784 1.00 23.33 O ATOM 1634 NE2 GLN A 110 28.492 57.102 -47.891 1.00 32.10 N ATOM 0 H GLN A 110 28.129 52.705 -49.988 1.00 42.43 H new ATOM 0 HA GLN A 110 25.423 53.376 -49.329 1.00 3.53 H new ATOM 0 HB2 GLN A 110 27.707 54.761 -50.746 1.00 51.25 H new ATOM 0 HB3 GLN A 110 26.105 55.472 -50.708 1.00 51.25 H new ATOM 0 HG2 GLN A 110 26.142 55.406 -48.229 1.00 2.41 H new ATOM 0 HG3 GLN A 110 27.751 54.713 -48.276 1.00 2.41 H new ATOM 0 HE21 GLN A 110 28.699 56.436 -47.146 1.00 32.10 H new ATOM 0 HE22 GLN A 110 28.924 58.026 -47.884 1.00 32.10 H new ATOM 1643 N VAL A 111 24.371 53.790 -51.699 1.00 22.34 N ATOM 1644 CA VAL A 111 23.686 53.710 -52.977 1.00 74.24 C ATOM 1645 C VAL A 111 24.642 54.079 -54.118 1.00 21.00 C ATOM 1646 O VAL A 111 24.951 55.248 -54.347 1.00 75.11 O ATOM 1647 CB VAL A 111 22.429 54.614 -52.991 1.00 73.33 C ATOM 1648 CG1 VAL A 111 22.750 56.031 -52.528 1.00 13.23 C ATOM 1649 CG2 VAL A 111 21.801 54.634 -54.374 1.00 44.35 C ATOM 0 H VAL A 111 23.922 54.406 -51.021 1.00 22.34 H new ATOM 0 HA VAL A 111 23.355 52.682 -53.125 1.00 74.24 H new ATOM 0 HB VAL A 111 21.712 54.192 -52.287 1.00 73.33 H new ATOM 0 HG11 VAL A 111 21.843 56.636 -52.551 1.00 13.23 H new ATOM 0 HG12 VAL A 111 23.141 56.002 -51.511 1.00 13.23 H new ATOM 0 HG13 VAL A 111 23.496 56.470 -53.190 1.00 13.23 H new ATOM 0 HG21 VAL A 111 20.919 55.274 -54.364 1.00 44.35 H new ATOM 0 HG22 VAL A 111 22.521 55.020 -55.095 1.00 44.35 H new ATOM 0 HG23 VAL A 111 21.511 53.622 -54.657 1.00 44.35 H new ATOM 1659 N SER A 112 25.142 53.061 -54.800 1.00 13.43 N ATOM 1660 CA SER A 112 26.126 53.252 -55.852 1.00 25.44 C ATOM 1661 C SER A 112 25.698 52.523 -57.119 1.00 41.43 C ATOM 1662 O SER A 112 26.349 52.624 -58.158 1.00 54.32 O ATOM 1663 CB SER A 112 27.486 52.724 -55.390 1.00 73.52 C ATOM 1664 OG SER A 112 27.794 53.176 -54.081 1.00 50.04 O ATOM 0 H SER A 112 24.880 52.088 -54.642 1.00 13.43 H new ATOM 0 HA SER A 112 26.203 54.317 -56.068 1.00 25.44 H new ATOM 0 HB2 SER A 112 27.482 51.634 -55.410 1.00 73.52 H new ATOM 0 HB3 SER A 112 28.261 53.052 -56.083 1.00 73.52 H new ATOM 0 HG SER A 112 27.188 52.752 -53.438 1.00 50.04 H new ATOM 1670 N GLY A 113 24.602 51.780 -57.021 1.00 3.12 N ATOM 1671 CA GLY A 113 24.152 50.976 -58.130 1.00 51.54 C ATOM 1672 C GLY A 113 23.365 51.773 -59.142 1.00 51.43 C ATOM 1673 O GLY A 113 23.930 52.261 -60.121 1.00 53.21 O ATOM 0 H GLY A 113 24.018 51.723 -56.187 1.00 3.12 H new ATOM 0 HA2 GLY A 113 25.014 50.524 -58.620 1.00 51.54 H new ATOM 0 HA3 GLY A 113 23.534 50.160 -57.755 1.00 51.54 H new ATOM 1677 N LEU A 114 22.064 51.916 -58.880 1.00 24.32 N ATOM 1678 CA LEU A 114 21.126 52.542 -59.810 1.00 41.32 C ATOM 1679 C LEU A 114 20.990 51.659 -61.039 1.00 21.34 C ATOM 1680 O LEU A 114 20.032 50.891 -61.147 1.00 34.33 O ATOM 1681 CB LEU A 114 21.563 53.963 -60.195 1.00 64.43 C ATOM 1682 CG LEU A 114 21.683 54.946 -59.027 1.00 3.52 C ATOM 1683 CD1 LEU A 114 22.219 56.286 -59.508 1.00 71.24 C ATOM 1684 CD2 LEU A 114 20.336 55.126 -58.336 1.00 25.04 C ATOM 0 H LEU A 114 21.631 51.599 -58.013 1.00 24.32 H new ATOM 0 HA LEU A 114 20.157 52.639 -59.320 1.00 41.32 H new ATOM 0 HB2 LEU A 114 22.527 53.905 -60.701 1.00 64.43 H new ATOM 0 HB3 LEU A 114 20.849 54.363 -60.914 1.00 64.43 H new ATOM 0 HG LEU A 114 22.387 54.534 -58.304 1.00 3.52 H new ATOM 0 HD11 LEU A 114 22.297 56.971 -58.664 1.00 71.24 H new ATOM 0 HD12 LEU A 114 23.204 56.145 -59.953 1.00 71.24 H new ATOM 0 HD13 LEU A 114 21.541 56.703 -60.252 1.00 71.24 H new ATOM 0 HD21 LEU A 114 20.442 55.828 -57.509 1.00 25.04 H new ATOM 0 HD22 LEU A 114 19.610 55.514 -59.050 1.00 25.04 H new ATOM 0 HD23 LEU A 114 19.992 54.165 -57.954 1.00 25.04 H new ATOM 1696 N GLN A 115 21.957 51.789 -61.950 1.00 45.34 N ATOM 1697 CA GLN A 115 22.175 50.846 -63.047 1.00 40.42 C ATOM 1698 C GLN A 115 20.871 50.410 -63.708 1.00 4.04 C ATOM 1699 O GLN A 115 20.597 49.213 -63.838 1.00 53.53 O ATOM 1700 CB GLN A 115 22.991 49.632 -62.559 1.00 34.14 C ATOM 1701 CG GLN A 115 22.331 48.802 -61.463 1.00 25.34 C ATOM 1702 CD GLN A 115 23.224 47.685 -60.956 1.00 62.34 C ATOM 1703 OE1 GLN A 115 24.071 47.162 -61.684 1.00 30.31 O ATOM 1704 NE2 GLN A 115 23.040 47.305 -59.703 1.00 61.02 N ATOM 0 H GLN A 115 22.620 52.564 -61.945 1.00 45.34 H new ATOM 0 HA GLN A 115 22.750 51.365 -63.814 1.00 40.42 H new ATOM 0 HB2 GLN A 115 23.192 48.984 -63.412 1.00 34.14 H new ATOM 0 HB3 GLN A 115 23.955 49.986 -62.193 1.00 34.14 H new ATOM 0 HG2 GLN A 115 22.063 49.453 -60.631 1.00 25.34 H new ATOM 0 HG3 GLN A 115 21.404 48.375 -61.845 1.00 25.34 H new ATOM 0 HE21 GLN A 115 22.329 47.761 -59.131 1.00 61.02 H new ATOM 0 HE22 GLN A 115 23.609 46.556 -59.309 1.00 61.02 H new ATOM 1713 N ASN A 116 20.067 51.379 -64.127 1.00 43.54 N ATOM 1714 CA ASN A 116 18.782 51.077 -64.751 1.00 10.42 C ATOM 1715 C ASN A 116 19.005 50.338 -66.065 1.00 30.14 C ATOM 1716 O ASN A 116 19.353 50.938 -67.086 1.00 42.14 O ATOM 1717 CB ASN A 116 17.966 52.354 -64.978 1.00 13.45 C ATOM 1718 CG ASN A 116 16.529 52.078 -65.406 1.00 41.32 C ATOM 1719 OD1 ASN A 116 16.237 51.083 -66.072 1.00 22.52 O ATOM 1720 ND2 ASN A 116 15.616 52.958 -65.017 1.00 63.44 N ATOM 0 H ASN A 116 20.278 52.374 -64.048 1.00 43.54 H new ATOM 0 HA ASN A 116 18.212 50.436 -64.078 1.00 10.42 H new ATOM 0 HB2 ASN A 116 17.959 52.941 -64.060 1.00 13.45 H new ATOM 0 HB3 ASN A 116 18.456 52.960 -65.740 1.00 13.45 H new ATOM 0 HD21 ASN A 116 14.637 52.822 -65.268 1.00 63.44 H new ATOM 0 HD22 ASN A 116 15.893 53.771 -64.466 1.00 63.44 H new ATOM 1727 N ASN A 117 18.814 49.033 -66.018 1.00 33.24 N ATOM 1728 CA ASN A 117 19.056 48.170 -67.159 1.00 2.33 C ATOM 1729 C ASN A 117 17.869 48.229 -68.104 1.00 51.41 C ATOM 1730 O ASN A 117 16.751 47.883 -67.724 1.00 1.42 O ATOM 1731 CB ASN A 117 19.286 46.734 -66.682 1.00 61.13 C ATOM 1732 CG ASN A 117 19.955 45.862 -67.727 1.00 30.42 C ATOM 1733 OD1 ASN A 117 19.291 45.228 -68.547 1.00 34.24 O ATOM 1734 ND2 ASN A 117 21.278 45.813 -67.692 1.00 5.04 N ATOM 0 H ASN A 117 18.486 48.541 -65.187 1.00 33.24 H new ATOM 0 HA ASN A 117 19.946 48.510 -67.689 1.00 2.33 H new ATOM 0 HB2 ASN A 117 19.901 46.750 -65.782 1.00 61.13 H new ATOM 0 HB3 ASN A 117 18.329 46.291 -66.406 1.00 61.13 H new ATOM 0 HD21 ASN A 117 21.785 45.234 -68.361 1.00 5.04 H new ATOM 0 HD22 ASN A 117 21.790 46.354 -66.996 1.00 5.04 H new ATOM 1741 N SER A 118 18.103 48.675 -69.323 1.00 14.15 N ATOM 1742 CA SER A 118 17.030 48.846 -70.288 1.00 75.22 C ATOM 1743 C SER A 118 17.409 48.234 -71.633 1.00 42.11 C ATOM 1744 O SER A 118 18.534 47.757 -71.812 1.00 3.43 O ATOM 1745 CB SER A 118 16.708 50.333 -70.443 1.00 22.31 C ATOM 1746 OG SER A 118 16.426 50.921 -69.181 1.00 43.44 O ATOM 0 H SER A 118 19.028 48.926 -69.671 1.00 14.15 H new ATOM 0 HA SER A 118 16.143 48.328 -69.924 1.00 75.22 H new ATOM 0 HB2 SER A 118 17.550 50.846 -70.908 1.00 22.31 H new ATOM 0 HB3 SER A 118 15.852 50.457 -71.107 1.00 22.31 H new ATOM 0 HG SER A 118 16.224 51.872 -69.301 1.00 43.44 H new ATOM 1752 N THR A 119 16.455 48.238 -72.564 1.00 1.13 N ATOM 1753 CA THR A 119 16.659 47.712 -73.910 1.00 11.34 C ATOM 1754 C THR A 119 16.773 46.181 -73.877 1.00 73.20 C ATOM 1755 O THR A 119 17.299 45.550 -74.795 1.00 53.00 O ATOM 1756 CB THR A 119 17.903 48.344 -74.581 1.00 14.15 C ATOM 1757 OG1 THR A 119 17.927 49.755 -74.314 1.00 61.21 O ATOM 1758 CG2 THR A 119 17.889 48.133 -76.091 1.00 31.13 C ATOM 0 H THR A 119 15.518 48.607 -72.404 1.00 1.13 H new ATOM 0 HA THR A 119 15.790 47.981 -74.511 1.00 11.34 H new ATOM 0 HB THR A 119 18.788 47.859 -74.168 1.00 14.15 H new ATOM 0 HG1 THR A 119 18.715 50.155 -74.737 1.00 61.21 H new ATOM 0 HG21 THR A 119 18.776 48.589 -76.530 1.00 31.13 H new ATOM 0 HG22 THR A 119 17.884 47.065 -76.309 1.00 31.13 H new ATOM 0 HG23 THR A 119 16.997 48.594 -76.515 1.00 31.13 H new ATOM 1766 N ASP A 120 16.260 45.586 -72.808 1.00 14.24 N ATOM 1767 CA ASP A 120 16.180 44.137 -72.712 1.00 62.41 C ATOM 1768 C ASP A 120 14.765 43.690 -73.025 1.00 11.22 C ATOM 1769 O ASP A 120 13.881 43.740 -72.170 1.00 34.13 O ATOM 1770 CB ASP A 120 16.597 43.641 -71.325 1.00 21.11 C ATOM 1771 CG ASP A 120 16.531 42.127 -71.211 1.00 5.01 C ATOM 1772 OD1 ASP A 120 17.418 41.446 -71.772 1.00 42.22 O ATOM 1773 OD2 ASP A 120 15.598 41.610 -70.561 1.00 22.14 O1- ATOM 0 H ASP A 120 15.894 46.085 -71.997 1.00 14.24 H new ATOM 0 HA ASP A 120 16.872 43.706 -73.436 1.00 62.41 H new ATOM 0 HB2 ASP A 120 17.612 43.975 -71.112 1.00 21.11 H new ATOM 0 HB3 ASP A 120 15.949 44.089 -70.571 1.00 21.11 H new ATOM 1778 N PHE A 121 14.543 43.294 -74.262 1.00 13.21 N ATOM 1779 CA PHE A 121 13.219 42.902 -74.700 1.00 25.12 C ATOM 1780 C PHE A 121 13.063 41.398 -74.608 1.00 43.12 C ATOM 1781 O PHE A 121 13.587 40.648 -75.433 1.00 24.43 O ATOM 1782 CB PHE A 121 12.963 43.402 -76.119 1.00 11.52 C ATOM 1783 CG PHE A 121 13.057 44.896 -76.227 1.00 23.13 C ATOM 1784 CD1 PHE A 121 11.985 45.695 -75.864 1.00 75.24 C ATOM 1785 CD2 PHE A 121 14.223 45.504 -76.670 1.00 41.35 C ATOM 1786 CE1 PHE A 121 12.072 47.069 -75.942 1.00 60.15 C ATOM 1787 CE2 PHE A 121 14.314 46.880 -76.753 1.00 43.42 C ATOM 1788 CZ PHE A 121 13.239 47.663 -76.387 1.00 30.42 C ATOM 0 H PHE A 121 15.263 43.235 -74.982 1.00 13.21 H new ATOM 0 HA PHE A 121 12.476 43.358 -74.045 1.00 25.12 H new ATOM 0 HB2 PHE A 121 13.684 42.946 -76.797 1.00 11.52 H new ATOM 0 HB3 PHE A 121 11.973 43.079 -76.442 1.00 11.52 H new ATOM 0 HD1 PHE A 121 11.071 45.237 -75.516 1.00 75.24 H new ATOM 0 HD2 PHE A 121 15.069 44.895 -76.953 1.00 41.35 H new ATOM 0 HE1 PHE A 121 11.229 47.681 -75.656 1.00 60.15 H new ATOM 0 HE2 PHE A 121 15.225 47.342 -77.104 1.00 43.42 H new ATOM 0 HZ PHE A 121 13.309 48.739 -76.448 1.00 30.42 H new ATOM 1798 N HIS A 122 12.352 40.967 -73.586 1.00 74.33 N ATOM 1799 CA HIS A 122 12.182 39.555 -73.306 1.00 33.51 C ATOM 1800 C HIS A 122 10.702 39.208 -73.360 1.00 61.51 C ATOM 1801 O HIS A 122 9.988 39.379 -72.377 1.00 44.21 O ATOM 1802 CB HIS A 122 12.759 39.244 -71.919 1.00 14.54 C ATOM 1803 CG HIS A 122 12.916 37.785 -71.611 1.00 14.41 C ATOM 1804 ND1 HIS A 122 14.143 37.170 -71.529 1.00 72.31 N ATOM 1805 CD2 HIS A 122 12.002 36.827 -71.329 1.00 55.51 C ATOM 1806 CE1 HIS A 122 13.979 35.900 -71.215 1.00 74.34 C ATOM 1807 NE2 HIS A 122 12.687 35.663 -71.081 1.00 72.12 N ATOM 0 H HIS A 122 11.877 41.584 -72.927 1.00 74.33 H new ATOM 0 HA HIS A 122 12.710 38.957 -74.049 1.00 33.51 H new ATOM 0 HB2 HIS A 122 13.733 39.725 -71.831 1.00 14.54 H new ATOM 0 HB3 HIS A 122 12.113 39.692 -71.164 1.00 14.54 H new ATOM 0 HD2 HIS A 122 10.930 36.955 -71.304 1.00 55.51 H new ATOM 0 HE1 HIS A 122 14.769 35.175 -71.089 1.00 74.34 H new ATOM 0 HE2 HIS A 122 12.268 34.766 -70.835 1.00 72.12 H new ATOM 1816 N HIS A 123 10.237 38.754 -74.513 1.00 41.22 N ATOM 1817 CA HIS A 123 8.825 38.443 -74.684 1.00 40.20 C ATOM 1818 C HIS A 123 8.616 37.249 -75.605 1.00 14.21 C ATOM 1819 O HIS A 123 8.588 37.377 -76.827 1.00 55.44 O ATOM 1820 CB HIS A 123 8.031 39.663 -75.187 1.00 64.15 C ATOM 1821 CG HIS A 123 8.717 40.495 -76.236 1.00 33.35 C ATOM 1822 ND1 HIS A 123 9.121 40.201 -77.497 1.00 51.31 N flip ATOM 1823 CD2 HIS A 123 9.037 41.819 -76.038 1.00 23.32 C flip ATOM 1824 CE1 HIS A 123 9.670 41.345 -78.024 1.00 62.03 C flip ATOM 1825 NE2 HIS A 123 9.606 42.304 -77.124 1.00 11.12 N flip ATOM 0 H HIS A 123 10.812 38.593 -75.340 1.00 41.22 H new ATOM 0 HA HIS A 123 8.442 38.175 -73.699 1.00 40.20 H new ATOM 0 HB2 HIS A 123 7.080 39.315 -75.589 1.00 64.15 H new ATOM 0 HB3 HIS A 123 7.802 40.302 -74.334 1.00 64.15 H new ATOM 0 HD1 HIS A 123 9.034 39.300 -77.966 1.00 51.31 H new ATOM 0 HD2 HIS A 123 8.850 42.376 -75.131 1.00 23.32 H new ATOM 0 HE1 HIS A 123 10.087 41.442 -79.016 1.00 62.03 H new ATOM 1834 N HIS A 124 8.493 36.083 -75.001 1.00 75.21 N ATOM 1835 CA HIS A 124 8.143 34.876 -75.727 1.00 61.31 C ATOM 1836 C HIS A 124 6.916 34.241 -75.094 1.00 45.43 C ATOM 1837 O HIS A 124 6.333 34.825 -74.178 1.00 72.22 O ATOM 1838 CB HIS A 124 9.314 33.897 -75.777 1.00 55.11 C ATOM 1839 CG HIS A 124 10.078 33.978 -77.062 1.00 30.43 C ATOM 1840 ND1 HIS A 124 11.279 34.642 -77.194 1.00 72.32 N ATOM 1841 CD2 HIS A 124 9.790 33.484 -78.289 1.00 11.23 C ATOM 1842 CE1 HIS A 124 11.689 34.557 -78.445 1.00 60.11 C ATOM 1843 NE2 HIS A 124 10.805 33.859 -79.131 1.00 42.31 N ATOM 0 H HIS A 124 8.632 35.945 -74.000 1.00 75.21 H new ATOM 0 HA HIS A 124 7.909 35.141 -76.758 1.00 61.31 H new ATOM 0 HB2 HIS A 124 9.988 34.100 -74.945 1.00 55.11 H new ATOM 0 HB3 HIS A 124 8.940 32.882 -75.644 1.00 55.11 H new ATOM 0 HD2 HIS A 124 8.921 32.902 -78.556 1.00 11.23 H new ATOM 0 HE1 HIS A 124 12.597 34.987 -78.841 1.00 60.11 H new ATOM 0 HE2 HIS A 124 10.866 33.635 -80.124 1.00 42.31 H new ATOM 1852 N HIS A 125 6.528 33.058 -75.581 1.00 33.11 N ATOM 1853 CA HIS A 125 5.258 32.441 -75.200 1.00 42.42 C ATOM 1854 C HIS A 125 4.131 33.355 -75.677 1.00 12.25 C ATOM 1855 O HIS A 125 3.104 33.523 -75.019 1.00 65.23 O ATOM 1856 CB HIS A 125 5.190 32.212 -73.679 1.00 11.44 C ATOM 1857 CG HIS A 125 4.176 31.190 -73.245 1.00 60.43 C ATOM 1858 ND1 HIS A 125 4.259 30.518 -72.041 1.00 71.41 N ATOM 1859 CD2 HIS A 125 3.056 30.726 -73.850 1.00 3.32 C ATOM 1860 CE1 HIS A 125 3.237 29.690 -71.929 1.00 54.41 C ATOM 1861 NE2 HIS A 125 2.491 29.798 -73.011 1.00 54.24 N ATOM 0 H HIS A 125 7.078 32.509 -76.241 1.00 33.11 H new ATOM 0 HA HIS A 125 5.161 31.461 -75.667 1.00 42.42 H new ATOM 0 HB2 HIS A 125 6.174 31.901 -73.327 1.00 11.44 H new ATOM 0 HB3 HIS A 125 4.962 33.160 -73.192 1.00 11.44 H new ATOM 0 HD2 HIS A 125 2.677 31.030 -74.815 1.00 3.32 H new ATOM 0 HE1 HIS A 125 3.044 29.035 -71.092 1.00 54.41 H new ATOM 0 HE2 HIS A 125 1.634 29.277 -73.195 1.00 54.24 H new ATOM 1870 N HIS A 126 4.351 33.936 -76.848 1.00 22.41 N ATOM 1871 CA HIS A 126 3.442 34.909 -77.418 1.00 73.13 C ATOM 1872 C HIS A 126 2.611 34.283 -78.529 1.00 14.44 C ATOM 1873 O HIS A 126 3.136 33.591 -79.402 1.00 61.23 O ATOM 1874 CB HIS A 126 4.236 36.106 -77.958 1.00 23.41 C ATOM 1875 CG HIS A 126 3.396 37.153 -78.627 1.00 43.53 C ATOM 1876 ND1 HIS A 126 3.315 37.291 -79.994 1.00 63.22 N ATOM 1877 CD2 HIS A 126 2.609 38.123 -78.107 1.00 54.42 C ATOM 1878 CE1 HIS A 126 2.519 38.302 -80.288 1.00 42.22 C ATOM 1879 NE2 HIS A 126 2.075 38.826 -79.160 1.00 15.42 N ATOM 0 H HIS A 126 5.168 33.743 -77.427 1.00 22.41 H new ATOM 0 HA HIS A 126 2.763 35.253 -76.638 1.00 73.13 H new ATOM 0 HB2 HIS A 126 4.782 36.566 -77.134 1.00 23.41 H new ATOM 0 HB3 HIS A 126 4.978 35.744 -78.669 1.00 23.41 H new ATOM 0 HD2 HIS A 126 2.433 38.310 -77.058 1.00 54.42 H new ATOM 0 HE1 HIS A 126 2.273 38.643 -81.283 1.00 42.22 H new ATOM 0 HE2 HIS A 126 1.441 39.621 -79.083 1.00 15.42 H new ATOM 1888 N HIS A 127 1.316 34.528 -78.482 1.00 12.35 N ATOM 1889 CA HIS A 127 0.401 34.031 -79.493 1.00 31.34 C ATOM 1890 C HIS A 127 -0.816 34.940 -79.550 1.00 12.31 C ATOM 1891 O HIS A 127 -0.969 35.679 -80.540 1.00 54.42 O ATOM 1892 CB HIS A 127 -0.022 32.592 -79.175 1.00 12.42 C ATOM 1893 CG HIS A 127 -0.856 31.953 -80.243 1.00 22.42 C ATOM 1894 ND1 HIS A 127 -2.232 31.886 -80.184 1.00 5.05 N ATOM 1895 CD2 HIS A 127 -0.501 31.339 -81.395 1.00 4.12 C ATOM 1896 CE1 HIS A 127 -2.686 31.256 -81.249 1.00 42.13 C ATOM 1897 NE2 HIS A 127 -1.657 30.914 -82.000 1.00 54.43 N ATOM 1898 OXT HIS A 127 -1.596 34.936 -78.579 1.00 0.00 O1- ATOM 0 H HIS A 127 0.869 35.075 -77.746 1.00 12.35 H new ATOM 0 HA HIS A 127 0.900 34.029 -80.462 1.00 31.34 H new ATOM 0 HB2 HIS A 127 0.871 31.988 -79.016 1.00 12.42 H new ATOM 0 HB3 HIS A 127 -0.581 32.587 -78.239 1.00 12.42 H new ATOM 0 HD2 HIS A 127 0.504 31.208 -81.768 1.00 4.12 H new ATOM 0 HE1 HIS A 127 -3.724 31.054 -81.469 1.00 42.13 H new ATOM 0 HE2 HIS A 127 -1.712 30.414 -82.887 1.00 54.43 H new TER 1907 HIS A 127