USER MOD reduce.3.24.130724 H: found=0, std=0, add=1125, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1125 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 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 143 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 64 GLN : amide:sc= 0.879 K(o=2.1,f=0.25) USER MOD Set 2.2: A 67 ASN : amide:sc= 0.00961 K(o=2.1,f=0.92) USER MOD Set 2.3: A 69 HIS : no HD1:sc= 1.2 K(o=2.1,f=-8.8!) USER MOD Set 3.1: A 31 GLN : amide:sc= 1.06 K(o=0.95,f=-1.6) USER MOD Set 3.2: A 35 ASN : amide:sc= -0.115 K(o=0.95,f=-0.23!) USER MOD Set 4.1: A 16 MET CE :methyl 179:sc= 0 (180deg=-0.000899) USER MOD Set 4.2: A 30 MET CE :methyl 146:sc= -0.0368 (180deg=-0.0474) USER MOD Set 5.1: A 7 GLN : amide:sc= 0 X(o=0,f=-0.0045) USER MOD Set 5.2: A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0103) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0545 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 14 LYS NZ :NH3+ 178:sc= 0.774 (180deg=0.77) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.891 K(o=0.89,f=0) USER MOD Single : A 24 ASN : amide:sc= 0.582 K(o=0.58,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.672 K(o=-0.67,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.274 X(o=-0.27,f=-0.75) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.01) USER MOD Single : A 66 MET CE :methyl -128:sc=-0.00337 (180deg=-0.271) USER MOD Single : A 70 HIS : no HD1:sc=-0.00742 X(o=-0.0074,f=-0.033) USER MOD Single : A 72 LYS NZ :NH3+ -177:sc= 1.04 (180deg=1.03) USER MOD Single : A 74 MET CE :methyl 158:sc= 0 (180deg=-0.243) USER MOD Single : A 78 MET CE :methyl 165:sc= -0.0178 (180deg=-0.369) USER MOD Single : A 79 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000134) USER MOD Single : A 80 HIS : no HD1:sc= -0.258 K(o=-0.26,f=-5.9!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.179 X(o=-0.18,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -156:sc= 1.04 (180deg=0.694) USER MOD Single : A 95 HIS : no HD1:sc= 0.346 K(o=2.1,f=-7.9!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.737 K(o=-0.74,f=0) USER MOD Single : A 111 THR OG1 : rot 160:sc= 0.373 USER MOD Single : A 114 ASN : amide:sc= 0.665 K(o=0.66,f=-0.92) USER MOD Single : A 117 MET CE :methyl -179:sc= -0.994 (180deg=-1.1) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 HIS : no HE2:sc= 0.768 K(o=0.77,f=-4!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.125 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.512 0.453 2.322 1.00 61.25 N ATOM 2 CA SER A 1 9.926 -0.051 2.094 1.00 71.01 C ATOM 3 C SER A 1 10.697 -0.412 3.351 1.00 21.41 C ATOM 4 O SER A 1 11.402 -1.416 3.394 1.00 71.34 O ATOM 5 CB SER A 1 10.769 1.000 1.305 1.00 32.21 C ATOM 6 OG SER A 1 10.280 1.186 -0.025 1.00 44.32 O ATOM 0 H1 SER A 1 8.070 0.672 1.407 1.00 61.25 H new ATOM 0 H2 SER A 1 7.957 -0.280 2.808 1.00 61.25 H new ATOM 0 H3 SER A 1 8.540 1.312 2.908 1.00 61.25 H new ATOM 0 HA SER A 1 9.786 -0.971 1.527 1.00 71.01 H new ATOM 0 HB2 SER A 1 10.750 1.952 1.835 1.00 32.21 H new ATOM 0 HB3 SER A 1 11.809 0.677 1.267 1.00 32.21 H new ATOM 0 HG SER A 1 10.832 1.852 -0.486 1.00 44.32 H new ATOM 14 N LYS A 2 10.598 0.408 4.420 1.00 40.20 N ATOM 15 CA LYS A 2 11.288 0.215 5.682 1.00 73.22 C ATOM 16 C LYS A 2 10.766 -0.976 6.460 1.00 22.01 C ATOM 17 O LYS A 2 11.526 -1.715 7.081 1.00 31.23 O ATOM 18 CB LYS A 2 11.250 1.511 6.541 1.00 61.32 C ATOM 19 CG LYS A 2 9.863 1.984 7.021 1.00 52.21 C ATOM 20 CD LYS A 2 9.904 3.319 7.793 1.00 2.42 C ATOM 21 CE LYS A 2 10.644 3.250 9.130 1.00 32.45 C ATOM 22 NZ LYS A 2 10.574 4.563 9.801 1.00 54.41 N ATOM 0 H LYS A 2 10.014 1.244 4.412 1.00 40.20 H new ATOM 0 HA LYS A 2 12.327 -0.007 5.441 1.00 73.22 H new ATOM 0 HB2 LYS A 2 11.879 1.356 7.418 1.00 61.32 H new ATOM 0 HB3 LYS A 2 11.702 2.316 5.962 1.00 61.32 H new ATOM 0 HG2 LYS A 2 9.206 2.092 6.158 1.00 52.21 H new ATOM 0 HG3 LYS A 2 9.427 1.216 7.660 1.00 52.21 H new ATOM 0 HD2 LYS A 2 10.380 4.073 7.166 1.00 2.42 H new ATOM 0 HD3 LYS A 2 8.882 3.653 7.973 1.00 2.42 H new ATOM 0 HE2 LYS A 2 10.201 2.482 9.764 1.00 32.45 H new ATOM 0 HE3 LYS A 2 11.684 2.968 8.968 1.00 32.45 H new ATOM 0 HZ1 LYS A 2 11.077 4.516 10.710 1.00 54.41 H new ATOM 0 HZ2 LYS A 2 11.016 5.285 9.198 1.00 54.41 H new ATOM 0 HZ3 LYS A 2 9.579 4.814 9.969 1.00 54.41 H new ATOM 36 N GLU A 3 9.435 -1.235 6.390 1.00 14.32 N ATOM 37 CA GLU A 3 8.759 -2.276 7.149 1.00 61.55 C ATOM 38 C GLU A 3 8.994 -3.667 6.641 1.00 12.02 C ATOM 39 O GLU A 3 8.655 -4.669 7.263 1.00 65.14 O ATOM 40 CB GLU A 3 7.233 -1.998 7.271 1.00 73.13 C ATOM 41 CG GLU A 3 6.441 -2.086 5.940 1.00 42.35 C ATOM 42 CD GLU A 3 4.960 -1.743 6.125 1.00 52.43 C ATOM 43 OE1 GLU A 3 4.519 -0.739 5.507 1.00 35.10 O ATOM 44 OE2 GLU A 3 4.268 -2.481 6.871 1.00 4.04 O ATOM 0 H GLU A 3 8.805 -0.706 5.787 1.00 14.32 H new ATOM 0 HA GLU A 3 9.214 -2.234 8.139 1.00 61.55 H new ATOM 0 HB2 GLU A 3 6.805 -2.708 7.978 1.00 73.13 H new ATOM 0 HB3 GLU A 3 7.093 -1.003 7.694 1.00 73.13 H new ATOM 0 HG2 GLU A 3 6.882 -1.406 5.211 1.00 42.35 H new ATOM 0 HG3 GLU A 3 6.531 -3.093 5.531 1.00 42.35 H new ATOM 51 N VAL A 4 9.621 -3.701 5.470 1.00 22.53 N ATOM 52 CA VAL A 4 10.149 -4.898 4.819 1.00 4.43 C ATOM 53 C VAL A 4 11.320 -5.457 5.602 1.00 40.13 C ATOM 54 O VAL A 4 11.465 -6.664 5.780 1.00 62.54 O ATOM 55 CB VAL A 4 10.663 -4.651 3.401 1.00 3.33 C ATOM 56 CG1 VAL A 4 11.284 -5.916 2.758 1.00 60.14 C ATOM 57 CG2 VAL A 4 9.554 -4.105 2.498 1.00 4.25 C ATOM 0 H VAL A 4 9.783 -2.856 4.922 1.00 22.53 H new ATOM 0 HA VAL A 4 9.306 -5.588 4.780 1.00 4.43 H new ATOM 0 HB VAL A 4 11.454 -3.906 3.494 1.00 3.33 H new ATOM 0 HG11 VAL A 4 11.631 -5.680 1.752 1.00 60.14 H new ATOM 0 HG12 VAL A 4 12.125 -6.256 3.362 1.00 60.14 H new ATOM 0 HG13 VAL A 4 10.533 -6.704 2.707 1.00 60.14 H new ATOM 0 HG21 VAL A 4 9.949 -3.939 1.496 1.00 4.25 H new ATOM 0 HG22 VAL A 4 8.736 -4.824 2.451 1.00 4.25 H new ATOM 0 HG23 VAL A 4 9.186 -3.163 2.903 1.00 4.25 H new ATOM 67 N MET A 5 12.231 -4.541 6.001 1.00 4.13 N ATOM 68 CA MET A 5 13.641 -4.816 6.142 1.00 42.31 C ATOM 69 C MET A 5 13.994 -5.782 7.262 1.00 75.22 C ATOM 70 O MET A 5 14.888 -6.616 7.128 1.00 3.24 O ATOM 71 CB MET A 5 14.437 -3.502 6.346 1.00 1.22 C ATOM 72 CG MET A 5 14.426 -2.584 5.108 1.00 41.24 C ATOM 73 SD MET A 5 15.341 -1.032 5.355 1.00 42.55 S ATOM 74 CE MET A 5 15.009 -0.393 3.688 1.00 0.11 C ATOM 0 H MET A 5 11.982 -3.579 6.233 1.00 4.13 H new ATOM 0 HA MET A 5 13.921 -5.304 5.209 1.00 42.31 H new ATOM 0 HB2 MET A 5 14.020 -2.961 7.195 1.00 1.22 H new ATOM 0 HB3 MET A 5 15.469 -3.746 6.600 1.00 1.22 H new ATOM 0 HG2 MET A 5 14.856 -3.121 4.263 1.00 41.24 H new ATOM 0 HG3 MET A 5 13.394 -2.351 4.846 1.00 41.24 H new ATOM 0 HE1 MET A 5 15.477 0.585 3.573 1.00 0.11 H new ATOM 0 HE2 MET A 5 15.417 -1.080 2.947 1.00 0.11 H new ATOM 0 HE3 MET A 5 13.933 -0.299 3.542 1.00 0.11 H new ATOM 84 N LYS A 6 13.320 -5.641 8.424 1.00 3.14 N ATOM 85 CA LYS A 6 13.643 -6.369 9.633 1.00 13.43 C ATOM 86 C LYS A 6 13.147 -7.810 9.593 1.00 23.22 C ATOM 87 O LYS A 6 11.985 -8.084 9.302 1.00 14.42 O ATOM 88 CB LYS A 6 13.063 -5.628 10.868 1.00 32.44 C ATOM 89 CG LYS A 6 13.359 -6.254 12.246 1.00 73.31 C ATOM 90 CD LYS A 6 14.852 -6.290 12.625 1.00 41.30 C ATOM 91 CE LYS A 6 15.143 -7.011 13.945 1.00 4.13 C ATOM 92 NZ LYS A 6 14.553 -6.271 15.077 1.00 5.41 N ATOM 0 H LYS A 6 12.529 -5.006 8.532 1.00 3.14 H new ATOM 0 HA LYS A 6 14.729 -6.410 9.711 1.00 13.43 H new ATOM 0 HB2 LYS A 6 13.448 -4.608 10.866 1.00 32.44 H new ATOM 0 HB3 LYS A 6 11.982 -5.560 10.749 1.00 32.44 H new ATOM 0 HG2 LYS A 6 12.817 -5.695 13.009 1.00 73.31 H new ATOM 0 HG3 LYS A 6 12.969 -7.272 12.260 1.00 73.31 H new ATOM 0 HD2 LYS A 6 15.408 -6.780 11.825 1.00 41.30 H new ATOM 0 HD3 LYS A 6 15.224 -5.268 12.692 1.00 41.30 H new ATOM 0 HE2 LYS A 6 14.736 -8.022 13.912 1.00 4.13 H new ATOM 0 HE3 LYS A 6 16.220 -7.105 14.086 1.00 4.13 H new ATOM 0 HZ1 LYS A 6 14.802 -6.745 15.969 1.00 5.41 H new ATOM 0 HZ2 LYS A 6 14.922 -5.299 15.086 1.00 5.41 H new ATOM 0 HZ3 LYS A 6 13.518 -6.247 14.975 1.00 5.41 H new ATOM 106 N GLN A 7 14.047 -8.777 9.900 1.00 74.52 N ATOM 107 CA GLN A 7 13.782 -10.204 9.882 1.00 22.41 C ATOM 108 C GLN A 7 12.725 -10.667 10.875 1.00 31.13 C ATOM 109 O GLN A 7 11.858 -11.473 10.541 1.00 53.30 O ATOM 110 CB GLN A 7 15.109 -10.968 10.130 1.00 70.51 C ATOM 111 CG GLN A 7 14.996 -12.509 10.063 1.00 70.43 C ATOM 112 CD GLN A 7 16.362 -13.174 10.259 1.00 73.24 C ATOM 113 OE1 GLN A 7 16.603 -13.863 11.252 1.00 12.13 O ATOM 114 NE2 GLN A 7 17.282 -12.958 9.283 1.00 62.32 N ATOM 0 H GLN A 7 15.005 -8.558 10.174 1.00 74.52 H new ATOM 0 HA GLN A 7 13.371 -10.427 8.897 1.00 22.41 H new ATOM 0 HB2 GLN A 7 15.843 -10.640 9.394 1.00 70.51 H new ATOM 0 HB3 GLN A 7 15.494 -10.689 11.111 1.00 70.51 H new ATOM 0 HG2 GLN A 7 14.305 -12.859 10.830 1.00 70.43 H new ATOM 0 HG3 GLN A 7 14.580 -12.804 9.100 1.00 70.43 H new ATOM 0 HE21 GLN A 7 17.044 -12.381 8.476 1.00 62.32 H new ATOM 0 HE22 GLN A 7 18.211 -13.373 9.357 1.00 62.32 H new ATOM 123 N MET A 8 12.769 -10.164 12.129 1.00 41.30 N ATOM 124 CA MET A 8 11.824 -10.553 13.155 1.00 15.40 C ATOM 125 C MET A 8 10.675 -9.563 13.180 1.00 41.52 C ATOM 126 O MET A 8 10.868 -8.358 13.332 1.00 21.22 O ATOM 127 CB MET A 8 12.495 -10.610 14.552 1.00 42.14 C ATOM 128 CG MET A 8 13.627 -11.656 14.650 1.00 40.34 C ATOM 129 SD MET A 8 13.086 -13.370 14.362 1.00 54.24 S ATOM 130 CE MET A 8 14.755 -14.081 14.422 1.00 64.14 C ATOM 0 H MET A 8 13.462 -9.483 12.439 1.00 41.30 H new ATOM 0 HA MET A 8 11.454 -11.551 12.919 1.00 15.40 H new ATOM 0 HB2 MET A 8 12.898 -9.626 14.793 1.00 42.14 H new ATOM 0 HB3 MET A 8 11.737 -10.836 15.302 1.00 42.14 H new ATOM 0 HG2 MET A 8 14.402 -11.405 13.926 1.00 40.34 H new ATOM 0 HG3 MET A 8 14.081 -11.592 15.639 1.00 40.34 H new ATOM 0 HE1 MET A 8 14.697 -15.158 14.268 1.00 64.14 H new ATOM 0 HE2 MET A 8 15.369 -13.635 13.640 1.00 64.14 H new ATOM 0 HE3 MET A 8 15.203 -13.877 15.395 1.00 64.14 H new ATOM 140 N THR A 9 9.432 -10.062 13.022 1.00 2.21 N ATOM 141 CA THR A 9 8.243 -9.231 12.966 1.00 30.53 C ATOM 142 C THR A 9 7.099 -10.060 13.509 1.00 54.11 C ATOM 143 O THR A 9 7.290 -11.219 13.874 1.00 62.42 O ATOM 144 CB THR A 9 7.963 -8.677 11.562 1.00 33.01 C ATOM 145 OG1 THR A 9 6.946 -7.680 11.581 1.00 2.34 O ATOM 146 CG2 THR A 9 7.569 -9.784 10.565 1.00 0.20 C ATOM 0 H THR A 9 9.239 -11.059 12.931 1.00 2.21 H new ATOM 0 HA THR A 9 8.383 -8.338 13.575 1.00 30.53 H new ATOM 0 HB THR A 9 8.898 -8.227 11.228 1.00 33.01 H new ATOM 0 HG1 THR A 9 6.795 -7.349 10.671 1.00 2.34 H new ATOM 0 HG21 THR A 9 7.381 -9.342 9.586 1.00 0.20 H new ATOM 0 HG22 THR A 9 8.380 -10.508 10.487 1.00 0.20 H new ATOM 0 HG23 THR A 9 6.667 -10.286 10.916 1.00 0.20 H new ATOM 154 N ILE A 10 5.886 -9.477 13.599 1.00 31.01 N ATOM 155 CA ILE A 10 4.716 -10.098 14.188 1.00 73.14 C ATOM 156 C ILE A 10 3.625 -10.176 13.130 1.00 13.13 C ATOM 157 O ILE A 10 3.427 -9.257 12.334 1.00 73.32 O ATOM 158 CB ILE A 10 4.248 -9.368 15.457 1.00 33.32 C ATOM 159 CG1 ILE A 10 3.124 -10.139 16.198 1.00 0.21 C ATOM 160 CG2 ILE A 10 3.859 -7.900 15.155 1.00 51.14 C ATOM 161 CD1 ILE A 10 2.837 -9.602 17.605 1.00 1.03 C ATOM 0 H ILE A 10 5.704 -8.536 13.250 1.00 31.01 H new ATOM 0 HA ILE A 10 4.970 -11.107 14.515 1.00 73.14 H new ATOM 0 HB ILE A 10 5.095 -9.338 16.142 1.00 33.32 H new ATOM 0 HG12 ILE A 10 2.210 -10.090 15.606 1.00 0.21 H new ATOM 0 HG13 ILE A 10 3.402 -11.191 16.269 1.00 0.21 H new ATOM 0 HG21 ILE A 10 3.533 -7.414 16.074 1.00 51.14 H new ATOM 0 HG22 ILE A 10 4.722 -7.371 14.751 1.00 51.14 H new ATOM 0 HG23 ILE A 10 3.048 -7.881 14.427 1.00 51.14 H new ATOM 0 HD11 ILE A 10 2.041 -10.189 18.063 1.00 1.03 H new ATOM 0 HD12 ILE A 10 3.738 -9.676 18.214 1.00 1.03 H new ATOM 0 HD13 ILE A 10 2.528 -8.559 17.540 1.00 1.03 H new ATOM 173 N ASN A 11 2.881 -11.312 13.077 1.00 43.42 N ATOM 174 CA ASN A 11 1.878 -11.612 12.061 1.00 32.42 C ATOM 175 C ASN A 11 0.687 -10.663 12.074 1.00 1.41 C ATOM 176 O ASN A 11 -0.023 -10.540 11.079 1.00 73.45 O ATOM 177 CB ASN A 11 1.334 -13.056 12.212 1.00 54.23 C ATOM 178 CG ASN A 11 2.429 -14.083 11.926 1.00 14.44 C ATOM 179 OD1 ASN A 11 2.861 -14.793 12.836 1.00 71.42 O ATOM 180 ND2 ASN A 11 2.870 -14.184 10.645 1.00 64.23 N ATOM 0 H ASN A 11 2.977 -12.056 13.768 1.00 43.42 H new ATOM 0 HA ASN A 11 2.404 -11.491 11.114 1.00 32.42 H new ATOM 0 HB2 ASN A 11 0.949 -13.200 13.221 1.00 54.23 H new ATOM 0 HB3 ASN A 11 0.499 -13.208 11.528 1.00 54.23 H new ATOM 0 HD21 ASN A 11 3.587 -14.868 10.405 1.00 64.23 H new ATOM 0 HD22 ASN A 11 2.484 -13.575 9.923 1.00 64.23 H new ATOM 187 N PHE A 12 0.469 -9.945 13.200 1.00 31.15 N ATOM 188 CA PHE A 12 -0.619 -9.014 13.451 1.00 30.35 C ATOM 189 C PHE A 12 -0.609 -7.869 12.438 1.00 34.53 C ATOM 190 O PHE A 12 -1.656 -7.351 12.061 1.00 34.13 O ATOM 191 CB PHE A 12 -0.545 -8.505 14.923 1.00 32.55 C ATOM 192 CG PHE A 12 -1.749 -7.678 15.313 1.00 51.52 C ATOM 193 CD1 PHE A 12 -2.970 -8.316 15.596 1.00 33.02 C ATOM 194 CD2 PHE A 12 -1.680 -6.279 15.413 1.00 34.13 C ATOM 195 CE1 PHE A 12 -4.105 -7.574 15.944 1.00 23.15 C ATOM 196 CE2 PHE A 12 -2.813 -5.530 15.764 1.00 14.31 C ATOM 197 CZ PHE A 12 -4.027 -6.178 16.024 1.00 22.25 C ATOM 0 H PHE A 12 1.098 -10.016 14.000 1.00 31.15 H new ATOM 0 HA PHE A 12 -1.571 -9.530 13.322 1.00 30.35 H new ATOM 0 HB2 PHE A 12 -0.462 -9.359 15.595 1.00 32.55 H new ATOM 0 HB3 PHE A 12 0.358 -7.909 15.052 1.00 32.55 H new ATOM 0 HD1 PHE A 12 -3.033 -9.393 15.544 1.00 33.02 H new ATOM 0 HD2 PHE A 12 -0.745 -5.775 15.218 1.00 34.13 H new ATOM 0 HE1 PHE A 12 -5.038 -8.077 16.150 1.00 23.15 H new ATOM 0 HE2 PHE A 12 -2.749 -4.454 15.834 1.00 14.31 H new ATOM 0 HZ PHE A 12 -4.902 -5.602 16.286 1.00 22.25 H new ATOM 207 N ALA A 13 0.582 -7.467 11.941 1.00 62.32 N ATOM 208 CA ALA A 13 0.724 -6.502 10.871 1.00 1.23 C ATOM 209 C ALA A 13 0.129 -6.885 9.524 1.00 13.03 C ATOM 210 O ALA A 13 -0.243 -6.005 8.747 1.00 1.34 O ATOM 211 CB ALA A 13 2.203 -6.170 10.649 1.00 42.22 C ATOM 0 H ALA A 13 1.474 -7.819 12.289 1.00 62.32 H new ATOM 0 HA ALA A 13 0.145 -5.649 11.225 1.00 1.23 H new ATOM 0 HB1 ALA A 13 2.296 -5.443 9.842 1.00 42.22 H new ATOM 0 HB2 ALA A 13 2.623 -5.752 11.564 1.00 42.22 H new ATOM 0 HB3 ALA A 13 2.744 -7.078 10.383 1.00 42.22 H new ATOM 217 N LYS A 14 0.029 -8.190 9.183 1.00 2.03 N ATOM 218 CA LYS A 14 -0.467 -8.608 7.885 1.00 25.31 C ATOM 219 C LYS A 14 -1.935 -8.233 7.650 1.00 50.34 C ATOM 220 O LYS A 14 -2.210 -7.653 6.596 1.00 13.22 O ATOM 221 CB LYS A 14 -0.244 -10.131 7.666 1.00 70.10 C ATOM 222 CG LYS A 14 1.239 -10.559 7.728 1.00 72.04 C ATOM 223 CD LYS A 14 2.190 -9.819 6.770 1.00 23.05 C ATOM 224 CE LYS A 14 1.910 -10.061 5.287 1.00 11.01 C ATOM 225 NZ LYS A 14 2.863 -9.266 4.489 1.00 35.03 N ATOM 0 H LYS A 14 0.289 -8.959 9.800 1.00 2.03 H new ATOM 0 HA LYS A 14 0.115 -8.058 7.146 1.00 25.31 H new ATOM 0 HB2 LYS A 14 -0.804 -10.683 8.421 1.00 70.10 H new ATOM 0 HB3 LYS A 14 -0.654 -10.413 6.696 1.00 70.10 H new ATOM 0 HG2 LYS A 14 1.597 -10.416 8.748 1.00 72.04 H new ATOM 0 HG3 LYS A 14 1.299 -11.627 7.516 1.00 72.04 H new ATOM 0 HD2 LYS A 14 2.126 -8.749 6.969 1.00 23.05 H new ATOM 0 HD3 LYS A 14 3.214 -10.123 6.988 1.00 23.05 H new ATOM 0 HE2 LYS A 14 2.012 -11.120 5.051 1.00 11.01 H new ATOM 0 HE3 LYS A 14 0.886 -9.777 5.045 1.00 11.01 H new ATOM 0 HZ1 LYS A 14 2.705 -9.448 3.477 1.00 35.03 H new ATOM 0 HZ2 LYS A 14 2.721 -8.255 4.685 1.00 35.03 H new ATOM 0 HZ3 LYS A 14 3.836 -9.534 4.741 1.00 35.03 H new ATOM 239 N PRO A 15 -2.916 -8.440 8.542 1.00 62.33 N ATOM 240 CA PRO A 15 -4.222 -7.812 8.411 1.00 70.51 C ATOM 241 C PRO A 15 -4.223 -6.308 8.589 1.00 62.10 C ATOM 242 O PRO A 15 -5.093 -5.667 8.008 1.00 24.33 O ATOM 243 CB PRO A 15 -5.088 -8.512 9.463 1.00 44.13 C ATOM 244 CG PRO A 15 -4.118 -9.048 10.509 1.00 73.02 C ATOM 245 CD PRO A 15 -2.835 -9.301 9.724 1.00 64.14 C ATOM 0 HA PRO A 15 -4.599 -7.931 7.395 1.00 70.51 H new ATOM 0 HB2 PRO A 15 -5.799 -7.817 9.909 1.00 44.13 H new ATOM 0 HB3 PRO A 15 -5.668 -9.320 9.017 1.00 44.13 H new ATOM 0 HG2 PRO A 15 -3.959 -8.329 11.313 1.00 73.02 H new ATOM 0 HG3 PRO A 15 -4.492 -9.963 10.969 1.00 73.02 H new ATOM 0 HD2 PRO A 15 -1.956 -9.062 10.323 1.00 64.14 H new ATOM 0 HD3 PRO A 15 -2.751 -10.350 9.439 1.00 64.14 H new ATOM 253 N MET A 16 -3.283 -5.693 9.345 1.00 33.04 N ATOM 254 CA MET A 16 -3.227 -4.245 9.462 1.00 53.24 C ATOM 255 C MET A 16 -2.903 -3.538 8.147 1.00 25.23 C ATOM 256 O MET A 16 -3.537 -2.542 7.796 1.00 12.21 O ATOM 257 CB MET A 16 -2.186 -3.791 10.509 1.00 72.32 C ATOM 258 CG MET A 16 -2.518 -4.108 11.976 1.00 3.44 C ATOM 259 SD MET A 16 -1.199 -3.596 13.123 1.00 10.24 S ATOM 260 CE MET A 16 -1.664 -1.848 13.262 1.00 31.15 C ATOM 0 H MET A 16 -2.564 -6.187 9.874 1.00 33.04 H new ATOM 0 HA MET A 16 -4.232 -3.961 9.774 1.00 53.24 H new ATOM 0 HB2 MET A 16 -1.230 -4.255 10.266 1.00 72.32 H new ATOM 0 HB3 MET A 16 -2.051 -2.714 10.413 1.00 72.32 H new ATOM 0 HG2 MET A 16 -3.447 -3.607 12.250 1.00 3.44 H new ATOM 0 HG3 MET A 16 -2.690 -5.179 12.082 1.00 3.44 H new ATOM 0 HE1 MET A 16 -0.982 -1.343 13.946 1.00 31.15 H new ATOM 0 HE2 MET A 16 -1.608 -1.377 12.280 1.00 31.15 H new ATOM 0 HE3 MET A 16 -2.682 -1.772 13.643 1.00 31.15 H new ATOM 270 N GLU A 17 -1.917 -4.051 7.367 1.00 35.32 N ATOM 271 CA GLU A 17 -1.568 -3.483 6.077 1.00 1.24 C ATOM 272 C GLU A 17 -2.637 -3.752 5.041 1.00 71.51 C ATOM 273 O GLU A 17 -2.881 -2.935 4.153 1.00 75.30 O ATOM 274 CB GLU A 17 -0.182 -3.962 5.556 1.00 55.24 C ATOM 275 CG GLU A 17 -0.041 -5.475 5.260 1.00 74.21 C ATOM 276 CD GLU A 17 1.338 -5.814 4.692 1.00 12.22 C ATOM 277 OE1 GLU A 17 1.643 -5.332 3.571 1.00 13.11 O ATOM 278 OE2 GLU A 17 2.089 -6.574 5.359 1.00 60.11 O ATOM 0 H GLU A 17 -1.357 -4.863 7.628 1.00 35.32 H new ATOM 0 HA GLU A 17 -1.499 -2.407 6.238 1.00 1.24 H new ATOM 0 HB2 GLU A 17 0.048 -3.413 4.643 1.00 55.24 H new ATOM 0 HB3 GLU A 17 0.573 -3.686 6.292 1.00 55.24 H new ATOM 0 HG2 GLU A 17 -0.207 -6.042 6.176 1.00 74.21 H new ATOM 0 HG3 GLU A 17 -0.811 -5.781 4.552 1.00 74.21 H new ATOM 285 N ALA A 18 -3.342 -4.902 5.157 1.00 3.41 N ATOM 286 CA ALA A 18 -4.533 -5.166 4.383 1.00 53.13 C ATOM 287 C ALA A 18 -5.660 -4.197 4.668 1.00 21.42 C ATOM 288 O ALA A 18 -6.246 -3.666 3.735 1.00 10.45 O ATOM 289 CB ALA A 18 -5.085 -6.570 4.625 1.00 73.13 C ATOM 0 H ALA A 18 -3.085 -5.657 5.793 1.00 3.41 H new ATOM 0 HA ALA A 18 -4.203 -5.054 3.350 1.00 53.13 H new ATOM 0 HB1 ALA A 18 -5.980 -6.718 4.020 1.00 73.13 H new ATOM 0 HB2 ALA A 18 -4.333 -7.309 4.348 1.00 73.13 H new ATOM 0 HB3 ALA A 18 -5.336 -6.685 5.679 1.00 73.13 H new ATOM 295 N CYS A 19 -5.954 -3.881 5.950 1.00 33.11 N ATOM 296 CA CYS A 19 -6.962 -2.892 6.308 1.00 35.25 C ATOM 297 C CYS A 19 -6.600 -1.541 5.734 1.00 51.42 C ATOM 298 O CYS A 19 -7.426 -0.919 5.085 1.00 44.14 O ATOM 299 CB CYS A 19 -7.106 -2.791 7.843 1.00 73.22 C ATOM 300 SG CYS A 19 -7.895 -4.290 8.492 1.00 63.35 S ATOM 0 H CYS A 19 -5.494 -4.310 6.753 1.00 33.11 H new ATOM 0 HA CYS A 19 -7.916 -3.211 5.889 1.00 35.25 H new ATOM 0 HB2 CYS A 19 -6.126 -2.659 8.301 1.00 73.22 H new ATOM 0 HB3 CYS A 19 -7.700 -1.915 8.104 1.00 73.22 H new ATOM 305 N LYS A 20 -5.334 -1.084 5.815 1.00 31.52 N ATOM 306 CA LYS A 20 -4.981 0.256 5.374 1.00 5.43 C ATOM 307 C LYS A 20 -5.299 0.492 3.899 1.00 55.53 C ATOM 308 O LYS A 20 -5.875 1.514 3.523 1.00 71.24 O ATOM 309 CB LYS A 20 -3.484 0.500 5.678 1.00 12.14 C ATOM 310 CG LYS A 20 -2.951 1.920 5.404 1.00 41.30 C ATOM 311 CD LYS A 20 -2.383 2.186 4.001 1.00 0.34 C ATOM 312 CE LYS A 20 -1.005 1.572 3.759 1.00 72.13 C ATOM 313 NZ LYS A 20 -0.565 1.866 2.381 1.00 3.40 N ATOM 0 H LYS A 20 -4.553 -1.628 6.181 1.00 31.52 H new ATOM 0 HA LYS A 20 -5.590 0.974 5.923 1.00 5.43 H new ATOM 0 HB2 LYS A 20 -3.306 0.265 6.727 1.00 12.14 H new ATOM 0 HB3 LYS A 20 -2.897 -0.205 5.089 1.00 12.14 H new ATOM 0 HG2 LYS A 20 -3.761 2.628 5.583 1.00 41.30 H new ATOM 0 HG3 LYS A 20 -2.171 2.137 6.134 1.00 41.30 H new ATOM 0 HD2 LYS A 20 -3.079 1.794 3.259 1.00 0.34 H new ATOM 0 HD3 LYS A 20 -2.322 3.263 3.844 1.00 0.34 H new ATOM 0 HE2 LYS A 20 -0.287 1.973 4.474 1.00 72.13 H new ATOM 0 HE3 LYS A 20 -1.044 0.494 3.917 1.00 72.13 H new ATOM 0 HZ1 LYS A 20 0.373 1.447 2.219 1.00 3.40 H new ATOM 0 HZ2 LYS A 20 -1.246 1.463 1.706 1.00 3.40 H new ATOM 0 HZ3 LYS A 20 -0.512 2.896 2.246 1.00 3.40 H new ATOM 327 N GLN A 21 -4.991 -0.492 3.028 1.00 21.12 N ATOM 328 CA GLN A 21 -5.343 -0.397 1.625 1.00 52.13 C ATOM 329 C GLN A 21 -6.802 -0.678 1.321 1.00 25.53 C ATOM 330 O GLN A 21 -7.417 0.020 0.520 1.00 40.50 O ATOM 331 CB GLN A 21 -4.477 -1.333 0.774 1.00 52.12 C ATOM 332 CG GLN A 21 -4.681 -2.828 1.062 1.00 4.20 C ATOM 333 CD GLN A 21 -3.545 -3.698 0.557 1.00 14.54 C ATOM 334 OE1 GLN A 21 -3.478 -4.128 -0.595 1.00 23.50 O ATOM 335 NE2 GLN A 21 -2.649 -4.034 1.521 1.00 60.51 N ATOM 0 H GLN A 21 -4.502 -1.350 3.285 1.00 21.12 H new ATOM 0 HA GLN A 21 -5.156 0.646 1.368 1.00 52.13 H new ATOM 0 HB2 GLN A 21 -4.689 -1.147 -0.279 1.00 52.12 H new ATOM 0 HB3 GLN A 21 -3.428 -1.085 0.936 1.00 52.12 H new ATOM 0 HG2 GLN A 21 -4.789 -2.972 2.137 1.00 4.20 H new ATOM 0 HG3 GLN A 21 -5.613 -3.156 0.601 1.00 4.20 H new ATOM 0 HE21 GLN A 21 -2.745 -3.652 2.462 1.00 60.51 H new ATOM 0 HE22 GLN A 21 -1.880 -4.668 1.304 1.00 60.51 H new ATOM 344 N GLU A 22 -7.393 -1.684 2.006 1.00 24.05 N ATOM 345 CA GLU A 22 -8.771 -2.160 1.881 1.00 61.31 C ATOM 346 C GLU A 22 -9.727 -1.057 2.188 1.00 23.41 C ATOM 347 O GLU A 22 -10.757 -0.887 1.540 1.00 75.21 O ATOM 348 CB GLU A 22 -9.067 -3.345 2.815 1.00 5.24 C ATOM 349 CG GLU A 22 -10.469 -3.970 2.620 1.00 34.12 C ATOM 350 CD GLU A 22 -10.685 -4.614 1.247 1.00 24.52 C ATOM 351 OE1 GLU A 22 -11.665 -4.231 0.559 1.00 62.45 O ATOM 352 OE2 GLU A 22 -9.882 -5.518 0.894 1.00 3.21 O ATOM 0 H GLU A 22 -6.875 -2.215 2.707 1.00 24.05 H new ATOM 0 HA GLU A 22 -8.895 -2.497 0.852 1.00 61.31 H new ATOM 0 HB2 GLU A 22 -8.313 -4.116 2.657 1.00 5.24 H new ATOM 0 HB3 GLU A 22 -8.970 -3.012 3.848 1.00 5.24 H new ATOM 0 HG2 GLU A 22 -10.629 -4.723 3.391 1.00 34.12 H new ATOM 0 HG3 GLU A 22 -11.223 -3.197 2.769 1.00 34.12 H new ATOM 359 N LEU A 23 -9.372 -0.265 3.207 1.00 2.01 N ATOM 360 CA LEU A 23 -10.234 0.789 3.669 1.00 50.13 C ATOM 361 C LEU A 23 -9.974 2.064 2.882 1.00 61.34 C ATOM 362 O LEU A 23 -10.689 3.049 3.054 1.00 13.13 O ATOM 363 CB LEU A 23 -9.993 1.104 5.149 1.00 54.14 C ATOM 364 CG LEU A 23 -10.152 -0.064 6.146 1.00 33.23 C ATOM 365 CD1 LEU A 23 -10.409 0.489 7.534 1.00 11.35 C ATOM 366 CD2 LEU A 23 -10.945 -1.314 5.758 1.00 35.21 C ATOM 0 H LEU A 23 -8.492 -0.347 3.716 1.00 2.01 H new ATOM 0 HA LEU A 23 -11.259 0.445 3.529 1.00 50.13 H new ATOM 0 HB2 LEU A 23 -8.984 1.502 5.251 1.00 54.14 H new ATOM 0 HB3 LEU A 23 -10.680 1.897 5.443 1.00 54.14 H new ATOM 0 HG LEU A 23 -9.186 -0.567 6.119 1.00 33.23 H new ATOM 0 HD11 LEU A 23 -10.521 -0.335 8.239 1.00 11.35 H new ATOM 0 HD12 LEU A 23 -9.569 1.114 7.838 1.00 11.35 H new ATOM 0 HD13 LEU A 23 -11.321 1.086 7.525 1.00 11.35 H new ATOM 0 HD21 LEU A 23 -10.943 -2.019 6.589 1.00 35.21 H new ATOM 0 HD22 LEU A 23 -11.972 -1.035 5.522 1.00 35.21 H new ATOM 0 HD23 LEU A 23 -10.486 -1.780 4.886 1.00 35.21 H new ATOM 378 N ASN A 24 -8.931 2.059 2.009 1.00 25.15 N ATOM 379 CA ASN A 24 -8.425 3.175 1.242 1.00 14.53 C ATOM 380 C ASN A 24 -8.018 4.378 2.102 1.00 23.00 C ATOM 381 O ASN A 24 -8.350 5.524 1.802 1.00 71.22 O ATOM 382 CB ASN A 24 -9.459 3.599 0.172 1.00 65.33 C ATOM 383 CG ASN A 24 -9.800 2.619 -0.961 1.00 73.23 C ATOM 384 OD1 ASN A 24 -10.800 2.840 -1.651 1.00 74.54 O ATOM 385 ND2 ASN A 24 -9.001 1.553 -1.199 1.00 20.21 N ATOM 0 H ASN A 24 -8.402 1.206 1.827 1.00 25.15 H new ATOM 0 HA ASN A 24 -7.512 2.828 0.758 1.00 14.53 H new ATOM 0 HB2 ASN A 24 -10.388 3.841 0.689 1.00 65.33 H new ATOM 0 HB3 ASN A 24 -9.100 4.520 -0.286 1.00 65.33 H new ATOM 0 HD21 ASN A 24 -9.220 0.912 -1.962 1.00 20.21 H new ATOM 0 HD22 ASN A 24 -8.180 1.391 -0.616 1.00 20.21 H new ATOM 392 N VAL A 25 -7.272 4.131 3.199 1.00 12.12 N ATOM 393 CA VAL A 25 -6.895 5.135 4.185 1.00 62.50 C ATOM 394 C VAL A 25 -5.382 5.275 4.193 1.00 72.03 C ATOM 395 O VAL A 25 -4.686 4.375 3.725 1.00 33.23 O ATOM 396 CB VAL A 25 -7.428 4.819 5.586 1.00 75.04 C ATOM 397 CG1 VAL A 25 -8.968 4.847 5.572 1.00 11.11 C ATOM 398 CG2 VAL A 25 -6.907 3.460 6.091 1.00 4.22 C ATOM 0 H VAL A 25 -6.912 3.202 3.418 1.00 12.12 H new ATOM 0 HA VAL A 25 -7.353 6.082 3.899 1.00 62.50 H new ATOM 0 HB VAL A 25 -7.065 5.581 6.276 1.00 75.04 H new ATOM 0 HG11 VAL A 25 -9.345 4.622 6.570 1.00 11.11 H new ATOM 0 HG12 VAL A 25 -9.311 5.836 5.269 1.00 11.11 H new ATOM 0 HG13 VAL A 25 -9.339 4.103 4.867 1.00 11.11 H new ATOM 0 HG21 VAL A 25 -7.304 3.266 7.088 1.00 4.22 H new ATOM 0 HG22 VAL A 25 -7.230 2.671 5.412 1.00 4.22 H new ATOM 0 HG23 VAL A 25 -5.818 3.480 6.132 1.00 4.22 H new ATOM 408 N PRO A 26 -4.791 6.374 4.654 1.00 10.31 N ATOM 409 CA PRO A 26 -3.344 6.514 4.724 1.00 73.31 C ATOM 410 C PRO A 26 -2.714 5.715 5.852 1.00 31.42 C ATOM 411 O PRO A 26 -3.383 5.256 6.778 1.00 40.05 O ATOM 412 CB PRO A 26 -3.140 8.028 4.928 1.00 54.22 C ATOM 413 CG PRO A 26 -4.399 8.473 5.669 1.00 15.32 C ATOM 414 CD PRO A 26 -5.480 7.615 5.018 1.00 63.41 C ATOM 0 HA PRO A 26 -2.860 6.124 3.829 1.00 73.31 H new ATOM 0 HB2 PRO A 26 -2.241 8.235 5.508 1.00 54.22 H new ATOM 0 HB3 PRO A 26 -3.032 8.548 3.976 1.00 54.22 H new ATOM 0 HG2 PRO A 26 -4.326 8.290 6.741 1.00 15.32 H new ATOM 0 HG3 PRO A 26 -4.592 9.538 5.539 1.00 15.32 H new ATOM 0 HD2 PRO A 26 -6.304 7.425 5.706 1.00 63.41 H new ATOM 0 HD3 PRO A 26 -5.903 8.106 4.142 1.00 63.41 H new ATOM 422 N ASP A 27 -1.369 5.596 5.790 1.00 24.11 N ATOM 423 CA ASP A 27 -0.486 4.918 6.723 1.00 71.25 C ATOM 424 C ASP A 27 -0.596 5.574 8.091 1.00 62.33 C ATOM 425 O ASP A 27 -0.528 4.925 9.132 1.00 14.32 O ATOM 426 CB ASP A 27 0.969 4.951 6.172 1.00 11.33 C ATOM 427 CG ASP A 27 1.943 4.122 7.011 1.00 14.14 C ATOM 428 OD1 ASP A 27 2.891 4.732 7.569 1.00 2.51 O ATOM 429 OD2 ASP A 27 1.746 2.884 7.085 1.00 32.01 O ATOM 0 H ASP A 27 -0.846 6.010 5.018 1.00 24.11 H new ATOM 0 HA ASP A 27 -0.776 3.873 6.833 1.00 71.25 H new ATOM 0 HB2 ASP A 27 0.972 4.579 5.147 1.00 11.33 H new ATOM 0 HB3 ASP A 27 1.316 5.984 6.137 1.00 11.33 H new ATOM 434 N ALA A 28 -0.823 6.901 8.067 1.00 33.40 N ATOM 435 CA ALA A 28 -1.020 7.782 9.185 1.00 2.04 C ATOM 436 C ALA A 28 -2.157 7.368 10.096 1.00 75.52 C ATOM 437 O ALA A 28 -2.107 7.606 11.301 1.00 15.12 O ATOM 438 CB ALA A 28 -1.309 9.195 8.658 1.00 40.12 C ATOM 0 H ALA A 28 -0.873 7.405 7.182 1.00 33.40 H new ATOM 0 HA ALA A 28 -0.106 7.743 9.778 1.00 2.04 H new ATOM 0 HB1 ALA A 28 -1.460 9.873 9.498 1.00 40.12 H new ATOM 0 HB2 ALA A 28 -0.465 9.540 8.061 1.00 40.12 H new ATOM 0 HB3 ALA A 28 -2.207 9.176 8.041 1.00 40.12 H new ATOM 444 N VAL A 29 -3.229 6.749 9.562 1.00 62.22 N ATOM 445 CA VAL A 29 -4.358 6.452 10.418 1.00 25.52 C ATOM 446 C VAL A 29 -4.361 5.003 10.873 1.00 12.13 C ATOM 447 O VAL A 29 -4.843 4.715 11.966 1.00 24.41 O ATOM 448 CB VAL A 29 -5.673 6.829 9.786 1.00 50.12 C ATOM 449 CG1 VAL A 29 -5.645 8.276 9.244 1.00 72.41 C ATOM 450 CG2 VAL A 29 -6.237 5.798 8.812 1.00 54.21 C ATOM 0 H VAL A 29 -3.323 6.463 8.588 1.00 62.22 H new ATOM 0 HA VAL A 29 -4.240 7.074 11.305 1.00 25.52 H new ATOM 0 HB VAL A 29 -6.409 6.814 10.590 1.00 50.12 H new ATOM 0 HG11 VAL A 29 -6.609 8.515 8.795 1.00 72.41 H new ATOM 0 HG12 VAL A 29 -5.445 8.967 10.063 1.00 72.41 H new ATOM 0 HG13 VAL A 29 -4.862 8.368 8.492 1.00 72.41 H new ATOM 0 HG21 VAL A 29 -7.184 6.158 8.409 1.00 54.21 H new ATOM 0 HG22 VAL A 29 -5.531 5.644 7.996 1.00 54.21 H new ATOM 0 HG23 VAL A 29 -6.400 4.855 9.334 1.00 54.21 H new ATOM 460 N MET A 30 -3.760 4.050 10.109 1.00 3.21 N ATOM 461 CA MET A 30 -3.527 2.705 10.638 1.00 13.32 C ATOM 462 C MET A 30 -2.540 2.703 11.790 1.00 43.40 C ATOM 463 O MET A 30 -2.686 1.943 12.747 1.00 30.14 O ATOM 464 CB MET A 30 -3.047 1.647 9.594 1.00 5.53 C ATOM 465 CG MET A 30 -1.673 1.885 8.930 1.00 3.13 C ATOM 466 SD MET A 30 -0.919 0.422 8.150 1.00 61.34 S ATOM 467 CE MET A 30 -0.278 -0.303 9.685 1.00 73.22 C ATOM 0 H MET A 30 -3.440 4.195 9.151 1.00 3.21 H new ATOM 0 HA MET A 30 -4.520 2.407 10.974 1.00 13.32 H new ATOM 0 HB2 MET A 30 -3.021 0.675 10.086 1.00 5.53 H new ATOM 0 HB3 MET A 30 -3.797 1.585 8.806 1.00 5.53 H new ATOM 0 HG2 MET A 30 -1.783 2.662 8.174 1.00 3.13 H new ATOM 0 HG3 MET A 30 -0.986 2.269 9.684 1.00 3.13 H new ATOM 0 HE1 MET A 30 -0.318 -1.390 9.618 1.00 73.22 H new ATOM 0 HE2 MET A 30 0.754 0.014 9.834 1.00 73.22 H new ATOM 0 HE3 MET A 30 -0.885 0.031 10.526 1.00 73.22 H new ATOM 477 N GLN A 31 -1.526 3.606 11.754 1.00 2.15 N ATOM 478 CA GLN A 31 -0.558 3.741 12.821 1.00 2.33 C ATOM 479 C GLN A 31 -1.165 4.368 14.057 1.00 24.40 C ATOM 480 O GLN A 31 -0.708 4.176 15.182 1.00 44.41 O ATOM 481 CB GLN A 31 0.752 4.458 12.352 1.00 4.13 C ATOM 482 CG GLN A 31 0.704 5.938 11.925 1.00 31.33 C ATOM 483 CD GLN A 31 0.834 6.920 13.083 1.00 43.12 C ATOM 484 OE1 GLN A 31 1.888 7.056 13.708 1.00 21.13 O ATOM 485 NE2 GLN A 31 -0.286 7.633 13.358 1.00 44.44 N ATOM 0 H GLN A 31 -1.376 4.249 10.977 1.00 2.15 H new ATOM 0 HA GLN A 31 -0.256 2.733 13.106 1.00 2.33 H new ATOM 0 HB2 GLN A 31 1.475 4.377 13.163 1.00 4.13 H new ATOM 0 HB3 GLN A 31 1.151 3.890 11.512 1.00 4.13 H new ATOM 0 HG2 GLN A 31 1.506 6.126 11.211 1.00 31.33 H new ATOM 0 HG3 GLN A 31 -0.236 6.126 11.406 1.00 31.33 H new ATOM 0 HE21 GLN A 31 -1.133 7.483 12.811 1.00 44.44 H new ATOM 0 HE22 GLN A 31 -0.281 8.320 14.112 1.00 44.44 H new ATOM 494 N ASP A 32 -2.275 5.112 13.865 1.00 63.35 N ATOM 495 CA ASP A 32 -2.974 5.816 14.918 1.00 23.11 C ATOM 496 C ASP A 32 -3.658 4.832 15.867 1.00 1.31 C ATOM 497 O ASP A 32 -3.751 5.088 17.062 1.00 33.10 O ATOM 498 CB ASP A 32 -3.973 6.807 14.261 1.00 61.02 C ATOM 499 CG ASP A 32 -4.432 7.952 15.148 1.00 3.51 C ATOM 500 OD1 ASP A 32 -3.545 8.640 15.714 1.00 50.04 O ATOM 501 OD2 ASP A 32 -5.665 8.203 15.182 1.00 15.51 O ATOM 0 H ASP A 32 -2.705 5.231 12.948 1.00 63.35 H new ATOM 0 HA ASP A 32 -2.273 6.384 15.530 1.00 23.11 H new ATOM 0 HB2 ASP A 32 -3.509 7.225 13.367 1.00 61.02 H new ATOM 0 HB3 ASP A 32 -4.850 6.249 13.934 1.00 61.02 H new ATOM 506 N PHE A 33 -4.133 3.665 15.358 1.00 35.53 N ATOM 507 CA PHE A 33 -4.642 2.586 16.193 1.00 74.34 C ATOM 508 C PHE A 33 -3.611 2.017 17.150 1.00 43.43 C ATOM 509 O PHE A 33 -3.892 1.876 18.335 1.00 52.13 O ATOM 510 CB PHE A 33 -5.283 1.484 15.288 1.00 3.12 C ATOM 511 CG PHE A 33 -5.576 0.145 15.937 1.00 33.31 C ATOM 512 CD1 PHE A 33 -5.108 -1.020 15.304 1.00 51.43 C ATOM 513 CD2 PHE A 33 -6.206 0.022 17.184 1.00 5.41 C ATOM 514 CE1 PHE A 33 -5.304 -2.282 15.875 1.00 73.04 C ATOM 515 CE2 PHE A 33 -6.421 -1.241 17.753 1.00 61.23 C ATOM 516 CZ PHE A 33 -5.973 -2.394 17.100 1.00 63.54 C ATOM 0 H PHE A 33 -4.167 3.463 14.359 1.00 35.53 H new ATOM 0 HA PHE A 33 -5.411 3.007 16.841 1.00 74.34 H new ATOM 0 HB2 PHE A 33 -6.217 1.877 14.886 1.00 3.12 H new ATOM 0 HB3 PHE A 33 -4.618 1.312 14.441 1.00 3.12 H new ATOM 0 HD1 PHE A 33 -4.588 -0.939 14.361 1.00 51.43 H new ATOM 0 HD2 PHE A 33 -6.528 0.908 17.711 1.00 5.41 H new ATOM 0 HE1 PHE A 33 -4.941 -3.166 15.373 1.00 73.04 H new ATOM 0 HE2 PHE A 33 -6.935 -1.324 18.699 1.00 61.23 H new ATOM 0 HZ PHE A 33 -6.142 -3.366 17.539 1.00 63.54 H new ATOM 526 N PHE A 34 -2.378 1.701 16.706 1.00 44.33 N ATOM 527 CA PHE A 34 -1.415 1.139 17.636 1.00 61.22 C ATOM 528 C PHE A 34 -0.876 2.114 18.650 1.00 3.44 C ATOM 529 O PHE A 34 -0.597 1.780 19.800 1.00 63.04 O ATOM 530 CB PHE A 34 -0.259 0.431 16.921 1.00 53.20 C ATOM 531 CG PHE A 34 0.759 1.195 16.136 1.00 75.50 C ATOM 532 CD1 PHE A 34 1.906 1.664 16.791 1.00 22.12 C ATOM 533 CD2 PHE A 34 0.705 1.223 14.737 1.00 2.23 C ATOM 534 CE1 PHE A 34 3.003 2.134 16.061 1.00 24.43 C ATOM 535 CE2 PHE A 34 1.827 1.636 14.001 1.00 54.10 C ATOM 536 CZ PHE A 34 2.971 2.103 14.662 1.00 52.11 C ATOM 0 H PHE A 34 -2.047 1.823 15.749 1.00 44.33 H new ATOM 0 HA PHE A 34 -1.993 0.402 18.194 1.00 61.22 H new ATOM 0 HB2 PHE A 34 0.284 -0.134 17.679 1.00 53.20 H new ATOM 0 HB3 PHE A 34 -0.704 -0.295 16.241 1.00 53.20 H new ATOM 0 HD1 PHE A 34 1.943 1.663 17.870 1.00 22.12 H new ATOM 0 HD2 PHE A 34 -0.199 0.927 14.225 1.00 2.23 H new ATOM 0 HE1 PHE A 34 3.871 2.519 16.575 1.00 24.43 H new ATOM 0 HE2 PHE A 34 1.808 1.594 12.922 1.00 54.10 H new ATOM 0 HZ PHE A 34 3.826 2.438 14.093 1.00 52.11 H new ATOM 546 N ASN A 35 -0.810 3.382 18.230 1.00 62.14 N ATOM 547 CA ASN A 35 -0.506 4.514 19.070 1.00 25.54 C ATOM 548 C ASN A 35 -1.579 4.841 20.103 1.00 10.12 C ATOM 549 O ASN A 35 -1.350 5.680 20.969 1.00 62.12 O ATOM 550 CB ASN A 35 -0.222 5.743 18.189 1.00 44.44 C ATOM 551 CG ASN A 35 1.148 5.622 17.521 1.00 22.44 C ATOM 552 OD1 ASN A 35 2.049 4.918 17.981 1.00 75.44 O ATOM 553 ND2 ASN A 35 1.319 6.384 16.414 1.00 55.24 N ATOM 0 H ASN A 35 -0.975 3.643 17.258 1.00 62.14 H new ATOM 0 HA ASN A 35 0.376 4.238 19.647 1.00 25.54 H new ATOM 0 HB2 ASN A 35 -0.996 5.838 17.428 1.00 44.44 H new ATOM 0 HB3 ASN A 35 -0.258 6.648 18.795 1.00 44.44 H new ATOM 0 HD21 ASN A 35 2.218 6.388 15.931 1.00 55.24 H new ATOM 0 HD22 ASN A 35 0.549 6.954 16.063 1.00 55.24 H new ATOM 560 N PHE A 36 -2.745 4.146 20.097 1.00 52.41 N ATOM 561 CA PHE A 36 -3.761 4.214 21.142 1.00 73.00 C ATOM 562 C PHE A 36 -3.153 3.779 22.471 1.00 64.52 C ATOM 563 O PHE A 36 -3.407 4.365 23.519 1.00 54.50 O ATOM 564 CB PHE A 36 -4.989 3.299 20.816 1.00 60.24 C ATOM 565 CG PHE A 36 -6.182 3.634 21.682 1.00 21.04 C ATOM 566 CD1 PHE A 36 -6.248 3.312 23.050 1.00 70.02 C ATOM 567 CD2 PHE A 36 -7.245 4.353 21.111 1.00 64.22 C ATOM 568 CE1 PHE A 36 -7.256 3.850 23.857 1.00 14.33 C ATOM 569 CE2 PHE A 36 -8.268 4.878 21.909 1.00 13.34 C ATOM 570 CZ PHE A 36 -8.243 4.659 23.289 1.00 61.24 C ATOM 0 H PHE A 36 -2.997 3.511 19.340 1.00 52.41 H new ATOM 0 HA PHE A 36 -4.111 5.245 21.201 1.00 73.00 H new ATOM 0 HB2 PHE A 36 -5.258 3.412 19.766 1.00 60.24 H new ATOM 0 HB3 PHE A 36 -4.714 2.255 20.964 1.00 60.24 H new ATOM 0 HD1 PHE A 36 -5.515 2.645 23.480 1.00 70.02 H new ATOM 0 HD2 PHE A 36 -7.273 4.503 20.042 1.00 64.22 H new ATOM 0 HE1 PHE A 36 -7.271 3.640 24.916 1.00 14.33 H new ATOM 0 HE2 PHE A 36 -9.070 5.447 21.462 1.00 13.34 H new ATOM 0 HZ PHE A 36 -8.990 5.117 23.919 1.00 61.24 H new ATOM 580 N TRP A 37 -2.330 2.709 22.440 1.00 43.40 N ATOM 581 CA TRP A 37 -1.866 2.017 23.624 1.00 71.12 C ATOM 582 C TRP A 37 -0.717 2.761 24.294 1.00 51.11 C ATOM 583 O TRP A 37 -0.324 2.441 25.414 1.00 40.53 O ATOM 584 CB TRP A 37 -1.405 0.590 23.249 1.00 40.45 C ATOM 585 CG TRP A 37 -2.412 -0.203 22.423 1.00 34.52 C ATOM 586 CD1 TRP A 37 -2.166 -0.726 21.185 1.00 30.41 C ATOM 587 CD2 TRP A 37 -3.832 -0.350 22.646 1.00 62.24 C ATOM 588 NE1 TRP A 37 -3.318 -1.249 20.641 1.00 43.11 N ATOM 589 CE2 TRP A 37 -4.357 -1.008 21.510 1.00 34.21 C ATOM 590 CE3 TRP A 37 -4.668 0.044 23.691 1.00 10.02 C ATOM 591 CZ2 TRP A 37 -5.714 -1.275 21.403 1.00 54.43 C ATOM 592 CZ3 TRP A 37 -6.046 -0.194 23.560 1.00 54.11 C ATOM 593 CH2 TRP A 37 -6.564 -0.839 22.429 1.00 74.32 C ATOM 0 H TRP A 37 -1.974 2.309 21.572 1.00 43.40 H new ATOM 0 HA TRP A 37 -2.696 1.968 24.328 1.00 71.12 H new ATOM 0 HB2 TRP A 37 -0.471 0.658 22.692 1.00 40.45 H new ATOM 0 HB3 TRP A 37 -1.191 0.039 24.165 1.00 40.45 H new ATOM 0 HD1 TRP A 37 -1.201 -0.729 20.700 1.00 30.41 H new ATOM 0 HE1 TRP A 37 -3.389 -1.733 19.746 1.00 43.11 H new ATOM 0 HE3 TRP A 37 -4.267 0.518 24.575 1.00 10.02 H new ATOM 0 HZ2 TRP A 37 -6.107 -1.807 20.549 1.00 54.43 H new ATOM 0 HZ3 TRP A 37 -6.717 0.125 24.344 1.00 54.11 H new ATOM 0 HH2 TRP A 37 -7.628 -1.002 22.347 1.00 74.32 H new ATOM 604 N LYS A 38 -0.152 3.782 23.604 1.00 44.33 N ATOM 605 CA LYS A 38 0.891 4.654 24.122 1.00 45.21 C ATOM 606 C LYS A 38 0.406 5.467 25.319 1.00 74.54 C ATOM 607 O LYS A 38 -0.647 6.104 25.282 1.00 72.44 O ATOM 608 CB LYS A 38 1.385 5.642 23.030 1.00 30.42 C ATOM 609 CG LYS A 38 2.561 6.563 23.423 1.00 42.43 C ATOM 610 CD LYS A 38 3.883 5.841 23.764 1.00 44.43 C ATOM 611 CE LYS A 38 4.500 4.996 22.642 1.00 70.51 C ATOM 612 NZ LYS A 38 4.871 5.843 21.492 1.00 51.33 N ATOM 0 H LYS A 38 -0.427 4.014 22.650 1.00 44.33 H new ATOM 0 HA LYS A 38 1.708 4.005 24.435 1.00 45.21 H new ATOM 0 HB2 LYS A 38 1.681 5.064 22.154 1.00 30.42 H new ATOM 0 HB3 LYS A 38 0.545 6.269 22.730 1.00 30.42 H new ATOM 0 HG2 LYS A 38 2.747 7.257 22.603 1.00 42.43 H new ATOM 0 HG3 LYS A 38 2.260 7.160 24.284 1.00 42.43 H new ATOM 0 HD2 LYS A 38 4.613 6.590 24.071 1.00 44.43 H new ATOM 0 HD3 LYS A 38 3.709 5.194 24.624 1.00 44.43 H new ATOM 0 HE2 LYS A 38 5.382 4.475 23.016 1.00 70.51 H new ATOM 0 HE3 LYS A 38 3.790 4.233 22.323 1.00 70.51 H new ATOM 0 HZ1 LYS A 38 5.286 5.251 20.745 1.00 51.33 H new ATOM 0 HZ2 LYS A 38 4.023 6.320 21.125 1.00 51.33 H new ATOM 0 HZ3 LYS A 38 5.565 6.555 21.795 1.00 51.33 H new ATOM 626 N GLU A 39 1.172 5.492 26.436 1.00 43.43 N ATOM 627 CA GLU A 39 0.760 6.249 27.601 1.00 70.12 C ATOM 628 C GLU A 39 0.766 7.752 27.367 1.00 64.22 C ATOM 629 O GLU A 39 1.684 8.324 26.781 1.00 73.21 O ATOM 630 CB GLU A 39 1.620 5.901 28.845 1.00 30.32 C ATOM 631 CG GLU A 39 3.128 6.250 28.736 1.00 32.40 C ATOM 632 CD GLU A 39 3.904 5.860 29.995 1.00 13.30 C ATOM 633 OE1 GLU A 39 4.816 5.001 29.876 1.00 30.12 O ATOM 634 OE2 GLU A 39 3.595 6.423 31.076 1.00 3.12 O ATOM 0 H GLU A 39 2.060 5.000 26.537 1.00 43.43 H new ATOM 0 HA GLU A 39 -0.272 5.953 27.792 1.00 70.12 H new ATOM 0 HB2 GLU A 39 1.206 6.422 29.708 1.00 30.32 H new ATOM 0 HB3 GLU A 39 1.526 4.833 29.042 1.00 30.32 H new ATOM 0 HG2 GLU A 39 3.556 5.738 27.874 1.00 32.40 H new ATOM 0 HG3 GLU A 39 3.240 7.320 28.559 1.00 32.40 H new ATOM 641 N GLY A 40 -0.319 8.423 27.810 1.00 2.34 N ATOM 642 CA GLY A 40 -0.526 9.842 27.581 1.00 73.43 C ATOM 643 C GLY A 40 -1.262 10.132 26.298 1.00 73.23 C ATOM 644 O GLY A 40 -1.715 11.255 26.095 1.00 73.42 O ATOM 0 H GLY A 40 -1.071 7.980 28.338 1.00 2.34 H new ATOM 0 HA2 GLY A 40 -1.086 10.261 28.417 1.00 73.43 H new ATOM 0 HA3 GLY A 40 0.440 10.346 27.560 1.00 73.43 H new ATOM 648 N TYR A 41 -1.414 9.141 25.388 1.00 30.12 N ATOM 649 CA TYR A 41 -2.068 9.371 24.115 1.00 4.14 C ATOM 650 C TYR A 41 -3.559 9.163 24.199 1.00 35.14 C ATOM 651 O TYR A 41 -4.061 8.178 24.736 1.00 22.35 O ATOM 652 CB TYR A 41 -1.490 8.507 22.960 1.00 12.32 C ATOM 653 CG TYR A 41 -0.164 8.998 22.399 1.00 35.32 C ATOM 654 CD1 TYR A 41 0.143 8.631 21.076 1.00 32.55 C ATOM 655 CD2 TYR A 41 0.774 9.787 23.100 1.00 11.04 C ATOM 656 CE1 TYR A 41 1.339 9.029 20.467 1.00 65.34 C ATOM 657 CE2 TYR A 41 1.973 10.190 22.493 1.00 63.02 C ATOM 658 CZ TYR A 41 2.256 9.810 21.177 1.00 33.31 C ATOM 659 OH TYR A 41 3.462 10.204 20.563 1.00 72.12 O ATOM 0 H TYR A 41 -1.088 8.185 25.528 1.00 30.12 H new ATOM 0 HA TYR A 41 -1.865 10.416 23.881 1.00 4.14 H new ATOM 0 HB2 TYR A 41 -1.361 7.486 23.318 1.00 12.32 H new ATOM 0 HB3 TYR A 41 -2.220 8.471 22.151 1.00 12.32 H new ATOM 0 HD1 TYR A 41 -0.559 8.029 20.518 1.00 32.55 H new ATOM 0 HD2 TYR A 41 0.566 10.084 24.117 1.00 11.04 H new ATOM 0 HE1 TYR A 41 1.553 8.733 19.451 1.00 65.34 H new ATOM 0 HE2 TYR A 41 2.679 10.795 23.043 1.00 63.02 H new ATOM 0 HH TYR A 41 3.988 10.743 21.190 1.00 72.12 H new ATOM 669 N GLN A 42 -4.317 10.123 23.625 1.00 63.11 N ATOM 670 CA GLN A 42 -5.703 9.938 23.325 1.00 35.43 C ATOM 671 C GLN A 42 -5.858 9.966 21.821 1.00 4.24 C ATOM 672 O GLN A 42 -5.466 10.904 21.129 1.00 42.01 O ATOM 673 CB GLN A 42 -6.635 10.964 24.025 1.00 21.31 C ATOM 674 CG GLN A 42 -6.393 12.460 23.735 1.00 23.41 C ATOM 675 CD GLN A 42 -5.456 13.234 24.679 1.00 71.35 C ATOM 676 OE1 GLN A 42 -5.499 14.467 24.694 1.00 42.23 O ATOM 677 NE2 GLN A 42 -4.606 12.537 25.473 1.00 52.14 N ATOM 0 H GLN A 42 -3.958 11.042 23.366 1.00 63.11 H new ATOM 0 HA GLN A 42 -6.021 8.974 23.723 1.00 35.43 H new ATOM 0 HB2 GLN A 42 -7.662 10.729 23.747 1.00 21.31 H new ATOM 0 HB3 GLN A 42 -6.554 10.813 25.101 1.00 21.31 H new ATOM 0 HG2 GLN A 42 -5.994 12.544 22.724 1.00 23.41 H new ATOM 0 HG3 GLN A 42 -7.360 12.962 23.738 1.00 23.41 H new ATOM 0 HE21 GLN A 42 -4.595 11.518 25.437 1.00 52.14 H new ATOM 0 HE22 GLN A 42 -3.978 13.032 26.106 1.00 52.14 H new ATOM 686 N ILE A 43 -6.438 8.887 21.276 1.00 54.30 N ATOM 687 CA ILE A 43 -6.785 8.777 19.877 1.00 1.22 C ATOM 688 C ILE A 43 -8.255 9.100 19.717 1.00 43.13 C ATOM 689 O ILE A 43 -9.122 8.499 20.348 1.00 20.24 O ATOM 690 CB ILE A 43 -6.508 7.392 19.357 1.00 33.52 C ATOM 691 CG1 ILE A 43 -5.032 7.000 19.537 1.00 53.51 C ATOM 692 CG2 ILE A 43 -6.955 7.232 17.893 1.00 53.40 C ATOM 693 CD1 ILE A 43 -3.987 7.851 18.818 1.00 72.33 C ATOM 0 H ILE A 43 -6.678 8.057 21.818 1.00 54.30 H new ATOM 0 HA ILE A 43 -6.178 9.477 19.304 1.00 1.22 H new ATOM 0 HB ILE A 43 -7.103 6.703 19.956 1.00 33.52 H new ATOM 0 HG12 ILE A 43 -4.806 7.018 20.603 1.00 53.51 H new ATOM 0 HG13 ILE A 43 -4.914 5.969 19.204 1.00 53.51 H new ATOM 0 HG21 ILE A 43 -6.738 6.219 17.555 1.00 53.40 H new ATOM 0 HG22 ILE A 43 -8.026 7.418 17.817 1.00 53.40 H new ATOM 0 HG23 ILE A 43 -6.418 7.946 17.268 1.00 53.40 H new ATOM 0 HD11 ILE A 43 -2.991 7.463 19.032 1.00 72.33 H new ATOM 0 HD12 ILE A 43 -4.166 7.816 17.743 1.00 72.33 H new ATOM 0 HD13 ILE A 43 -4.057 8.882 19.164 1.00 72.33 H new ATOM 705 N THR A 44 -8.552 10.105 18.871 1.00 12.12 N ATOM 706 CA THR A 44 -9.880 10.687 18.727 1.00 33.01 C ATOM 707 C THR A 44 -10.367 10.633 17.291 1.00 14.32 C ATOM 708 O THR A 44 -11.454 11.111 16.978 1.00 23.45 O ATOM 709 CB THR A 44 -9.929 12.123 19.248 1.00 55.44 C ATOM 710 OG1 THR A 44 -9.009 12.973 18.570 1.00 13.15 O ATOM 711 CG2 THR A 44 -9.581 12.145 20.753 1.00 5.01 C ATOM 0 H THR A 44 -7.856 10.536 18.262 1.00 12.12 H new ATOM 0 HA THR A 44 -10.551 10.081 19.336 1.00 33.01 H new ATOM 0 HB THR A 44 -10.940 12.491 19.072 1.00 55.44 H new ATOM 0 HG1 THR A 44 -9.074 13.881 18.933 1.00 13.15 H new ATOM 0 HG21 THR A 44 -9.617 13.171 21.120 1.00 5.01 H new ATOM 0 HG22 THR A 44 -10.301 11.538 21.302 1.00 5.01 H new ATOM 0 HG23 THR A 44 -8.579 11.742 20.901 1.00 5.01 H new ATOM 719 N ASN A 45 -9.563 10.057 16.369 1.00 1.32 N ATOM 720 CA ASN A 45 -9.775 10.145 14.942 1.00 53.41 C ATOM 721 C ASN A 45 -10.681 9.046 14.424 1.00 12.31 C ATOM 722 O ASN A 45 -10.498 7.871 14.721 1.00 51.02 O ATOM 723 CB ASN A 45 -8.407 10.140 14.212 1.00 72.43 C ATOM 724 CG ASN A 45 -8.560 10.491 12.731 1.00 3.23 C ATOM 725 OD1 ASN A 45 -9.415 11.293 12.351 1.00 1.24 O ATOM 726 ND2 ASN A 45 -7.734 9.842 11.876 1.00 13.24 N ATOM 0 H ASN A 45 -8.738 9.512 16.621 1.00 1.32 H new ATOM 0 HA ASN A 45 -10.288 11.084 14.734 1.00 53.41 H new ATOM 0 HB2 ASN A 45 -7.736 10.855 14.689 1.00 72.43 H new ATOM 0 HB3 ASN A 45 -7.946 9.157 14.308 1.00 72.43 H new ATOM 0 HD21 ASN A 45 -7.805 10.009 10.872 1.00 13.24 H new ATOM 0 HD22 ASN A 45 -7.041 9.186 12.236 1.00 13.24 H new ATOM 733 N ARG A 46 -11.654 9.419 13.565 1.00 22.23 N ATOM 734 CA ARG A 46 -12.714 8.572 13.047 1.00 33.14 C ATOM 735 C ARG A 46 -12.209 7.373 12.265 1.00 73.42 C ATOM 736 O ARG A 46 -12.765 6.280 12.333 1.00 15.41 O ATOM 737 CB ARG A 46 -13.657 9.433 12.188 1.00 72.01 C ATOM 738 CG ARG A 46 -13.009 10.018 10.923 1.00 1.11 C ATOM 739 CD ARG A 46 -13.921 11.053 10.268 1.00 75.22 C ATOM 740 NE ARG A 46 -13.890 12.311 11.084 1.00 11.25 N ATOM 741 CZ ARG A 46 -14.663 13.396 10.778 1.00 3.12 C ATOM 742 NH1 ARG A 46 -15.486 13.366 9.692 1.00 52.34 N ATOM 743 NH2 ARG A 46 -14.602 14.504 11.571 1.00 20.52 N ATOM 0 H ARG A 46 -11.711 10.371 13.204 1.00 22.23 H new ATOM 0 HA ARG A 46 -13.249 8.153 13.899 1.00 33.14 H new ATOM 0 HB2 ARG A 46 -14.515 8.828 11.895 1.00 72.01 H new ATOM 0 HB3 ARG A 46 -14.038 10.252 12.798 1.00 72.01 H new ATOM 0 HG2 ARG A 46 -12.055 10.479 11.179 1.00 1.11 H new ATOM 0 HG3 ARG A 46 -12.796 9.217 10.216 1.00 1.11 H new ATOM 0 HD2 ARG A 46 -13.591 11.256 9.249 1.00 75.22 H new ATOM 0 HD3 ARG A 46 -14.940 10.671 10.203 1.00 75.22 H new ATOM 0 HE ARG A 46 -13.272 12.358 11.894 1.00 11.25 H new ATOM 0 HH11 ARG A 46 -15.526 12.533 9.105 1.00 52.34 H new ATOM 0 HH12 ARG A 46 -16.062 14.177 9.466 1.00 52.34 H new ATOM 0 HH21 ARG A 46 -13.984 14.517 12.382 1.00 20.52 H new ATOM 0 HH22 ARG A 46 -15.174 15.320 11.353 1.00 20.52 H new ATOM 757 N GLU A 47 -11.066 7.538 11.568 1.00 43.14 N ATOM 758 CA GLU A 47 -10.321 6.482 10.940 1.00 34.41 C ATOM 759 C GLU A 47 -9.768 5.445 11.859 1.00 4.20 C ATOM 760 O GLU A 47 -9.664 4.289 11.455 1.00 70.35 O ATOM 761 CB GLU A 47 -9.173 7.029 10.085 1.00 20.51 C ATOM 762 CG GLU A 47 -9.614 7.520 8.693 1.00 22.33 C ATOM 763 CD GLU A 47 -8.721 8.569 8.040 1.00 11.21 C ATOM 764 OE1 GLU A 47 -8.269 8.327 6.892 1.00 1.51 O ATOM 765 OE2 GLU A 47 -8.502 9.629 8.685 1.00 14.53 O ATOM 0 H GLU A 47 -10.639 8.455 11.435 1.00 43.14 H new ATOM 0 HA GLU A 47 -11.071 5.987 10.323 1.00 34.41 H new ATOM 0 HB2 GLU A 47 -8.697 7.853 10.617 1.00 20.51 H new ATOM 0 HB3 GLU A 47 -8.420 6.250 9.964 1.00 20.51 H new ATOM 0 HG2 GLU A 47 -9.674 6.658 8.028 1.00 22.33 H new ATOM 0 HG3 GLU A 47 -10.621 7.930 8.776 1.00 22.33 H new ATOM 772 N ALA A 48 -9.406 5.813 13.106 1.00 12.22 N ATOM 773 CA ALA A 48 -8.893 4.828 14.056 1.00 31.52 C ATOM 774 C ALA A 48 -9.918 3.734 14.292 1.00 32.20 C ATOM 775 O ALA A 48 -9.621 2.550 14.250 1.00 72.24 O ATOM 776 CB ALA A 48 -8.527 5.449 15.425 1.00 20.21 C ATOM 0 H ALA A 48 -9.461 6.766 13.465 1.00 12.22 H new ATOM 0 HA ALA A 48 -7.986 4.421 13.608 1.00 31.52 H new ATOM 0 HB1 ALA A 48 -8.152 4.670 16.089 1.00 20.21 H new ATOM 0 HB2 ALA A 48 -7.758 6.209 15.286 1.00 20.21 H new ATOM 0 HB3 ALA A 48 -9.413 5.906 15.866 1.00 20.21 H new ATOM 782 N GLY A 49 -11.196 4.124 14.424 1.00 31.52 N ATOM 783 CA GLY A 49 -12.319 3.219 14.570 1.00 45.42 C ATOM 784 C GLY A 49 -12.529 2.327 13.393 1.00 61.35 C ATOM 785 O GLY A 49 -12.830 1.146 13.545 1.00 14.11 O ATOM 0 H GLY A 49 -11.471 5.106 14.431 1.00 31.52 H new ATOM 0 HA2 GLY A 49 -12.166 2.605 15.457 1.00 45.42 H new ATOM 0 HA3 GLY A 49 -13.224 3.802 14.739 1.00 45.42 H new ATOM 789 N CYS A 50 -12.378 2.894 12.177 1.00 42.14 N ATOM 790 CA CYS A 50 -12.548 2.190 10.926 1.00 3.43 C ATOM 791 C CYS A 50 -11.503 1.104 10.754 1.00 65.14 C ATOM 792 O CYS A 50 -11.823 -0.001 10.324 1.00 43.12 O ATOM 793 CB CYS A 50 -12.497 3.162 9.720 1.00 32.51 C ATOM 794 SG CYS A 50 -13.875 4.365 9.648 1.00 31.14 S ATOM 0 H CYS A 50 -12.129 3.876 12.055 1.00 42.14 H new ATOM 0 HA CYS A 50 -13.532 1.723 10.957 1.00 3.43 H new ATOM 0 HB2 CYS A 50 -11.555 3.710 9.752 1.00 32.51 H new ATOM 0 HB3 CYS A 50 -12.494 2.578 8.800 1.00 32.51 H new ATOM 799 N VAL A 51 -10.221 1.368 11.113 1.00 20.41 N ATOM 800 CA VAL A 51 -9.210 0.318 11.137 1.00 42.24 C ATOM 801 C VAL A 51 -9.478 -0.706 12.214 1.00 4.02 C ATOM 802 O VAL A 51 -9.404 -1.899 11.959 1.00 32.13 O ATOM 803 CB VAL A 51 -7.763 0.850 11.148 1.00 23.20 C ATOM 804 CG1 VAL A 51 -7.432 1.852 12.266 1.00 54.31 C ATOM 805 CG2 VAL A 51 -6.774 -0.313 11.369 1.00 51.40 C ATOM 0 H VAL A 51 -9.881 2.291 11.384 1.00 20.41 H new ATOM 0 HA VAL A 51 -9.301 -0.206 10.185 1.00 42.24 H new ATOM 0 HB VAL A 51 -7.671 1.350 10.184 1.00 23.20 H new ATOM 0 HG11 VAL A 51 -6.390 2.161 12.181 1.00 54.31 H new ATOM 0 HG12 VAL A 51 -8.078 2.725 12.175 1.00 54.31 H new ATOM 0 HG13 VAL A 51 -7.592 1.381 13.236 1.00 54.31 H new ATOM 0 HG21 VAL A 51 -5.754 0.073 11.375 1.00 51.40 H new ATOM 0 HG22 VAL A 51 -6.986 -0.794 12.324 1.00 51.40 H new ATOM 0 HG23 VAL A 51 -6.882 -1.040 10.564 1.00 51.40 H new ATOM 815 N ILE A 52 -9.899 -0.296 13.421 1.00 23.44 N ATOM 816 CA ILE A 52 -10.110 -1.198 14.553 1.00 61.24 C ATOM 817 C ILE A 52 -11.130 -2.287 14.273 1.00 0.31 C ATOM 818 O ILE A 52 -10.888 -3.465 14.537 1.00 5.14 O ATOM 819 CB ILE A 52 -10.510 -0.387 15.784 1.00 53.53 C ATOM 820 CG1 ILE A 52 -9.290 0.397 16.302 1.00 23.41 C ATOM 821 CG2 ILE A 52 -11.167 -1.276 16.866 1.00 3.10 C ATOM 822 CD1 ILE A 52 -9.527 1.649 17.166 1.00 62.13 C ATOM 0 H ILE A 52 -10.103 0.680 13.635 1.00 23.44 H new ATOM 0 HA ILE A 52 -9.166 -1.712 14.735 1.00 61.24 H new ATOM 0 HB ILE A 52 -11.275 0.338 15.505 1.00 53.53 H new ATOM 0 HG12 ILE A 52 -8.676 -0.293 16.881 1.00 23.41 H new ATOM 0 HG13 ILE A 52 -8.700 0.700 15.437 1.00 23.41 H new ATOM 0 HG21 ILE A 52 -11.437 -0.663 17.726 1.00 3.10 H new ATOM 0 HG22 ILE A 52 -12.063 -1.744 16.458 1.00 3.10 H new ATOM 0 HG23 ILE A 52 -10.464 -2.049 17.178 1.00 3.10 H new ATOM 0 HD11 ILE A 52 -8.568 2.083 17.448 1.00 62.13 H new ATOM 0 HD12 ILE A 52 -10.103 2.379 16.598 1.00 62.13 H new ATOM 0 HD13 ILE A 52 -10.078 1.372 18.065 1.00 62.13 H new ATOM 834 N LEU A 53 -12.284 -1.926 13.681 1.00 60.01 N ATOM 835 CA LEU A 53 -13.303 -2.882 13.302 1.00 42.21 C ATOM 836 C LEU A 53 -12.894 -3.822 12.191 1.00 33.54 C ATOM 837 O LEU A 53 -13.329 -4.971 12.134 1.00 63.21 O ATOM 838 CB LEU A 53 -14.628 -2.140 13.000 1.00 21.23 C ATOM 839 CG LEU A 53 -14.633 -1.074 11.884 1.00 22.14 C ATOM 840 CD1 LEU A 53 -14.702 -1.619 10.451 1.00 44.44 C ATOM 841 CD2 LEU A 53 -15.808 -0.115 12.127 1.00 45.34 C ATOM 0 H LEU A 53 -12.522 -0.959 13.458 1.00 60.01 H new ATOM 0 HA LEU A 53 -13.455 -3.543 14.155 1.00 42.21 H new ATOM 0 HB2 LEU A 53 -15.378 -2.889 12.747 1.00 21.23 H new ATOM 0 HB3 LEU A 53 -14.956 -1.658 13.921 1.00 21.23 H new ATOM 0 HG LEU A 53 -13.669 -0.570 11.947 1.00 22.14 H new ATOM 0 HD11 LEU A 53 -14.700 -0.788 9.745 1.00 44.44 H new ATOM 0 HD12 LEU A 53 -13.839 -2.257 10.263 1.00 44.44 H new ATOM 0 HD13 LEU A 53 -15.616 -2.199 10.326 1.00 44.44 H new ATOM 0 HD21 LEU A 53 -15.825 0.645 11.346 1.00 45.34 H new ATOM 0 HD22 LEU A 53 -16.744 -0.674 12.110 1.00 45.34 H new ATOM 0 HD23 LEU A 53 -15.690 0.366 13.098 1.00 45.34 H new ATOM 853 N CYS A 54 -11.996 -3.345 11.305 1.00 61.02 N ATOM 854 CA CYS A 54 -11.393 -4.112 10.234 1.00 73.32 C ATOM 855 C CYS A 54 -10.566 -5.272 10.757 1.00 32.24 C ATOM 856 O CYS A 54 -10.690 -6.375 10.223 1.00 53.24 O ATOM 857 CB CYS A 54 -10.566 -3.209 9.273 1.00 52.53 C ATOM 858 SG CYS A 54 -9.814 -4.099 7.874 1.00 31.41 S ATOM 0 H CYS A 54 -11.670 -2.379 11.330 1.00 61.02 H new ATOM 0 HA CYS A 54 -12.212 -4.540 9.655 1.00 73.32 H new ATOM 0 HB2 CYS A 54 -11.214 -2.424 8.883 1.00 52.53 H new ATOM 0 HB3 CYS A 54 -9.777 -2.718 9.843 1.00 52.53 H new ATOM 863 N LEU A 55 -9.743 -5.120 11.836 1.00 64.34 N ATOM 864 CA LEU A 55 -9.024 -6.237 12.376 1.00 31.44 C ATOM 865 C LEU A 55 -9.892 -7.347 12.868 1.00 73.45 C ATOM 866 O LEU A 55 -9.566 -8.502 12.658 1.00 31.32 O ATOM 867 CB LEU A 55 -8.168 -5.711 13.498 1.00 50.00 C ATOM 868 CG LEU A 55 -6.935 -4.942 12.997 1.00 65.32 C ATOM 869 CD1 LEU A 55 -5.923 -5.907 12.377 1.00 3.30 C ATOM 870 CD2 LEU A 55 -7.069 -3.686 12.144 1.00 35.32 C ATOM 0 H LEU A 55 -9.585 -4.236 12.319 1.00 64.34 H new ATOM 0 HA LEU A 55 -8.433 -6.679 11.574 1.00 31.44 H new ATOM 0 HB2 LEU A 55 -8.768 -5.055 14.129 1.00 50.00 H new ATOM 0 HB3 LEU A 55 -7.842 -6.544 14.122 1.00 50.00 H new ATOM 0 HG LEU A 55 -6.601 -4.493 13.932 1.00 65.32 H new ATOM 0 HD11 LEU A 55 -5.055 -5.348 12.027 1.00 3.30 H new ATOM 0 HD12 LEU A 55 -5.608 -6.635 13.125 1.00 3.30 H new ATOM 0 HD13 LEU A 55 -6.383 -6.427 11.537 1.00 3.30 H new ATOM 0 HD21 LEU A 55 -6.078 -3.304 11.901 1.00 35.32 H new ATOM 0 HD22 LEU A 55 -7.601 -3.926 11.223 1.00 35.32 H new ATOM 0 HD23 LEU A 55 -7.625 -2.928 12.697 1.00 35.32 H new ATOM 882 N ALA A 56 -11.032 -7.031 13.489 1.00 32.12 N ATOM 883 CA ALA A 56 -11.913 -7.981 14.111 1.00 63.12 C ATOM 884 C ALA A 56 -12.446 -9.056 13.192 1.00 64.42 C ATOM 885 O ALA A 56 -12.569 -10.220 13.567 1.00 33.15 O ATOM 886 CB ALA A 56 -13.056 -7.191 14.746 1.00 22.25 C ATOM 0 H ALA A 56 -11.364 -6.070 13.566 1.00 32.12 H new ATOM 0 HA ALA A 56 -11.335 -8.534 14.852 1.00 63.12 H new ATOM 0 HB1 ALA A 56 -13.749 -7.879 15.230 1.00 22.25 H new ATOM 0 HB2 ALA A 56 -12.653 -6.500 15.487 1.00 22.25 H new ATOM 0 HB3 ALA A 56 -13.582 -6.629 13.975 1.00 22.25 H new ATOM 892 N LYS A 57 -12.748 -8.681 11.938 1.00 40.15 N ATOM 893 CA LYS A 57 -13.018 -9.653 10.893 1.00 43.53 C ATOM 894 C LYS A 57 -11.777 -10.445 10.486 1.00 64.33 C ATOM 895 O LYS A 57 -11.812 -11.659 10.286 1.00 64.24 O ATOM 896 CB LYS A 57 -13.608 -8.964 9.637 1.00 23.22 C ATOM 897 CG LYS A 57 -15.012 -8.381 9.865 1.00 34.41 C ATOM 898 CD LYS A 57 -15.586 -7.722 8.600 1.00 15.24 C ATOM 899 CE LYS A 57 -17.014 -7.212 8.790 1.00 12.34 C ATOM 900 NZ LYS A 57 -17.514 -6.650 7.520 1.00 5.55 N ATOM 0 H LYS A 57 -12.809 -7.709 11.634 1.00 40.15 H new ATOM 0 HA LYS A 57 -13.742 -10.351 11.312 1.00 43.53 H new ATOM 0 HB2 LYS A 57 -12.937 -8.165 9.321 1.00 23.22 H new ATOM 0 HB3 LYS A 57 -13.650 -9.686 8.821 1.00 23.22 H new ATOM 0 HG2 LYS A 57 -15.683 -9.175 10.194 1.00 34.41 H new ATOM 0 HG3 LYS A 57 -14.971 -7.645 10.668 1.00 34.41 H new ATOM 0 HD2 LYS A 57 -14.945 -6.891 8.307 1.00 15.24 H new ATOM 0 HD3 LYS A 57 -15.569 -8.442 7.782 1.00 15.24 H new ATOM 0 HE2 LYS A 57 -17.661 -8.026 9.118 1.00 12.34 H new ATOM 0 HE3 LYS A 57 -17.038 -6.451 9.570 1.00 12.34 H new ATOM 0 HZ1 LYS A 57 -18.486 -6.304 7.652 1.00 5.55 H new ATOM 0 HZ2 LYS A 57 -16.903 -5.862 7.225 1.00 5.55 H new ATOM 0 HZ3 LYS A 57 -17.506 -7.388 6.787 1.00 5.55 H new ATOM 914 N LYS A 58 -10.621 -9.763 10.363 1.00 13.12 N ATOM 915 CA LYS A 58 -9.407 -10.288 9.783 1.00 12.13 C ATOM 916 C LYS A 58 -8.468 -10.924 10.806 1.00 75.53 C ATOM 917 O LYS A 58 -7.250 -10.769 10.762 1.00 75.34 O ATOM 918 CB LYS A 58 -8.698 -9.162 8.998 1.00 34.40 C ATOM 919 CG LYS A 58 -9.471 -8.683 7.758 1.00 24.41 C ATOM 920 CD LYS A 58 -8.630 -7.727 6.894 1.00 51.14 C ATOM 921 CE LYS A 58 -9.338 -7.188 5.648 1.00 55.51 C ATOM 922 NZ LYS A 58 -9.651 -8.284 4.708 1.00 73.03 N ATOM 0 H LYS A 58 -10.522 -8.799 10.681 1.00 13.12 H new ATOM 0 HA LYS A 58 -9.686 -11.097 9.108 1.00 12.13 H new ATOM 0 HB2 LYS A 58 -8.538 -8.314 9.664 1.00 34.40 H new ATOM 0 HB3 LYS A 58 -7.714 -9.513 8.687 1.00 34.40 H new ATOM 0 HG2 LYS A 58 -9.770 -9.545 7.161 1.00 24.41 H new ATOM 0 HG3 LYS A 58 -10.386 -8.180 8.072 1.00 24.41 H new ATOM 0 HD2 LYS A 58 -8.319 -6.883 7.510 1.00 51.14 H new ATOM 0 HD3 LYS A 58 -7.723 -8.246 6.582 1.00 51.14 H new ATOM 0 HE2 LYS A 58 -10.257 -6.678 5.938 1.00 55.51 H new ATOM 0 HE3 LYS A 58 -8.705 -6.450 5.155 1.00 55.51 H new ATOM 0 HZ1 LYS A 58 -10.085 -7.891 3.848 1.00 73.03 H new ATOM 0 HZ2 LYS A 58 -8.776 -8.786 4.456 1.00 73.03 H new ATOM 0 HZ3 LYS A 58 -10.314 -8.948 5.157 1.00 73.03 H new ATOM 936 N LEU A 59 -9.026 -11.730 11.733 1.00 65.15 N ATOM 937 CA LEU A 59 -8.282 -12.444 12.771 1.00 34.50 C ATOM 938 C LEU A 59 -7.860 -13.784 12.259 1.00 13.20 C ATOM 939 O LEU A 59 -6.894 -14.394 12.686 1.00 24.53 O ATOM 940 CB LEU A 59 -9.070 -12.731 14.062 1.00 31.20 C ATOM 941 CG LEU A 59 -9.565 -11.463 14.763 1.00 22.21 C ATOM 942 CD1 LEU A 59 -10.357 -11.804 16.037 1.00 44.05 C ATOM 943 CD2 LEU A 59 -8.601 -10.287 14.880 1.00 32.23 C ATOM 0 H LEU A 59 -10.031 -11.901 11.775 1.00 65.15 H new ATOM 0 HA LEU A 59 -7.454 -11.777 13.010 1.00 34.50 H new ATOM 0 HB2 LEU A 59 -9.925 -13.364 13.825 1.00 31.20 H new ATOM 0 HB3 LEU A 59 -8.437 -13.294 14.748 1.00 31.20 H new ATOM 0 HG LEU A 59 -10.264 -11.021 14.053 1.00 22.21 H new ATOM 0 HD11 LEU A 59 -10.695 -10.883 16.513 1.00 44.05 H new ATOM 0 HD12 LEU A 59 -11.220 -12.416 15.776 1.00 44.05 H new ATOM 0 HD13 LEU A 59 -9.717 -12.355 16.727 1.00 44.05 H new ATOM 0 HD21 LEU A 59 -9.092 -9.464 15.399 1.00 32.23 H new ATOM 0 HD22 LEU A 59 -7.719 -10.594 15.441 1.00 32.23 H new ATOM 0 HD23 LEU A 59 -8.302 -9.961 13.884 1.00 32.23 H new ATOM 955 N GLU A 60 -8.598 -14.254 11.259 1.00 24.51 N ATOM 956 CA GLU A 60 -8.318 -15.471 10.512 1.00 54.43 C ATOM 957 C GLU A 60 -7.019 -15.380 9.719 1.00 41.15 C ATOM 958 O GLU A 60 -6.468 -16.380 9.268 1.00 24.25 O ATOM 959 CB GLU A 60 -9.511 -15.855 9.594 1.00 33.41 C ATOM 960 CG GLU A 60 -9.836 -14.886 8.431 1.00 42.53 C ATOM 961 CD GLU A 60 -11.056 -15.351 7.628 1.00 25.32 C ATOM 962 OE1 GLU A 60 -10.895 -15.585 6.402 1.00 41.53 O ATOM 963 OE2 GLU A 60 -12.152 -15.459 8.235 1.00 44.12 O ATOM 0 H GLU A 60 -9.440 -13.778 10.936 1.00 24.51 H new ATOM 0 HA GLU A 60 -8.185 -16.267 11.245 1.00 54.43 H new ATOM 0 HB2 GLU A 60 -9.311 -16.839 9.170 1.00 33.41 H new ATOM 0 HB3 GLU A 60 -10.401 -15.951 10.216 1.00 33.41 H new ATOM 0 HG2 GLU A 60 -10.022 -13.889 8.830 1.00 42.53 H new ATOM 0 HG3 GLU A 60 -8.973 -14.809 7.770 1.00 42.53 H new ATOM 970 N LEU A 61 -6.514 -14.137 9.551 1.00 42.31 N ATOM 971 CA LEU A 61 -5.231 -13.796 8.965 1.00 51.23 C ATOM 972 C LEU A 61 -4.073 -14.114 9.905 1.00 24.31 C ATOM 973 O LEU A 61 -2.933 -14.301 9.483 1.00 53.42 O ATOM 974 CB LEU A 61 -5.105 -12.307 8.584 1.00 14.54 C ATOM 975 CG LEU A 61 -6.113 -11.728 7.569 1.00 42.15 C ATOM 976 CD1 LEU A 61 -5.431 -10.766 6.594 1.00 21.02 C ATOM 977 CD2 LEU A 61 -7.220 -12.616 6.973 1.00 12.33 C ATOM 0 H LEU A 61 -7.033 -13.309 9.843 1.00 42.31 H new ATOM 0 HA LEU A 61 -5.181 -14.405 8.063 1.00 51.23 H new ATOM 0 HB2 LEU A 61 -5.181 -11.721 9.500 1.00 14.54 H new ATOM 0 HB3 LEU A 61 -4.103 -12.148 8.186 1.00 14.54 H new ATOM 0 HG LEU A 61 -6.782 -11.159 8.215 1.00 42.15 H new ATOM 0 HD11 LEU A 61 -6.168 -10.376 5.892 1.00 21.02 H new ATOM 0 HD12 LEU A 61 -4.986 -9.940 7.149 1.00 21.02 H new ATOM 0 HD13 LEU A 61 -4.652 -11.296 6.045 1.00 21.02 H new ATOM 0 HD21 LEU A 61 -7.825 -12.029 6.282 1.00 12.33 H new ATOM 0 HD22 LEU A 61 -6.768 -13.452 6.439 1.00 12.33 H new ATOM 0 HD23 LEU A 61 -7.852 -12.997 7.775 1.00 12.33 H new ATOM 989 N LEU A 62 -4.362 -14.120 11.220 1.00 63.53 N ATOM 990 CA LEU A 62 -3.432 -14.240 12.325 1.00 30.35 C ATOM 991 C LEU A 62 -2.943 -15.667 12.465 1.00 14.44 C ATOM 992 O LEU A 62 -3.495 -16.622 11.921 1.00 41.23 O ATOM 993 CB LEU A 62 -4.077 -13.810 13.675 1.00 41.30 C ATOM 994 CG LEU A 62 -4.603 -12.360 13.644 1.00 32.43 C ATOM 995 CD1 LEU A 62 -5.444 -11.968 14.871 1.00 53.42 C ATOM 996 CD2 LEU A 62 -3.481 -11.335 13.434 1.00 61.52 C ATOM 0 H LEU A 62 -5.325 -14.034 11.546 1.00 63.53 H new ATOM 0 HA LEU A 62 -2.597 -13.576 12.101 1.00 30.35 H new ATOM 0 HB2 LEU A 62 -4.898 -14.486 13.913 1.00 41.30 H new ATOM 0 HB3 LEU A 62 -3.341 -13.909 14.473 1.00 41.30 H new ATOM 0 HG LEU A 62 -5.269 -12.339 12.781 1.00 32.43 H new ATOM 0 HD11 LEU A 62 -5.775 -10.934 14.770 1.00 53.42 H new ATOM 0 HD12 LEU A 62 -6.313 -12.622 14.940 1.00 53.42 H new ATOM 0 HD13 LEU A 62 -4.841 -12.070 15.773 1.00 53.42 H new ATOM 0 HD21 LEU A 62 -3.904 -10.330 13.420 1.00 61.52 H new ATOM 0 HD22 LEU A 62 -2.759 -11.414 14.247 1.00 61.52 H new ATOM 0 HD23 LEU A 62 -2.981 -11.532 12.485 1.00 61.52 H new ATOM 1008 N ASP A 63 -1.825 -15.844 13.191 1.00 50.01 N ATOM 1009 CA ASP A 63 -1.185 -17.128 13.326 1.00 42.31 C ATOM 1010 C ASP A 63 -1.918 -18.059 14.288 1.00 43.41 C ATOM 1011 O ASP A 63 -2.405 -17.645 15.336 1.00 3.32 O ATOM 1012 CB ASP A 63 0.301 -16.929 13.744 1.00 63.00 C ATOM 1013 CG ASP A 63 0.468 -16.180 15.066 1.00 71.34 C ATOM 1014 OD1 ASP A 63 0.136 -14.965 15.098 1.00 4.53 O ATOM 1015 OD2 ASP A 63 0.908 -16.827 16.050 1.00 43.22 O ATOM 0 H ASP A 63 -1.354 -15.091 13.693 1.00 50.01 H new ATOM 0 HA ASP A 63 -1.222 -17.621 12.355 1.00 42.31 H new ATOM 0 HB2 ASP A 63 0.781 -17.904 13.825 1.00 63.00 H new ATOM 0 HB3 ASP A 63 0.821 -16.382 12.958 1.00 63.00 H new ATOM 1020 N GLN A 64 -1.966 -19.372 13.972 1.00 50.30 N ATOM 1021 CA GLN A 64 -2.611 -20.375 14.799 1.00 12.31 C ATOM 1022 C GLN A 64 -1.970 -20.543 16.172 1.00 54.21 C ATOM 1023 O GLN A 64 -2.643 -20.855 17.149 1.00 64.13 O ATOM 1024 CB GLN A 64 -2.717 -21.720 14.035 1.00 31.25 C ATOM 1025 CG GLN A 64 -3.448 -22.841 14.812 1.00 11.32 C ATOM 1026 CD GLN A 64 -4.868 -22.438 15.242 1.00 54.34 C ATOM 1027 OE1 GLN A 64 -5.775 -22.219 14.434 1.00 15.44 O ATOM 1028 NE2 GLN A 64 -5.059 -22.309 16.581 1.00 1.21 N ATOM 0 H GLN A 64 -1.549 -19.753 13.123 1.00 50.30 H new ATOM 0 HA GLN A 64 -3.618 -20.013 15.004 1.00 12.31 H new ATOM 0 HB2 GLN A 64 -3.238 -21.549 13.093 1.00 31.25 H new ATOM 0 HB3 GLN A 64 -1.713 -22.063 13.786 1.00 31.25 H new ATOM 0 HG2 GLN A 64 -3.501 -23.734 14.189 1.00 11.32 H new ATOM 0 HG3 GLN A 64 -2.866 -23.103 15.696 1.00 11.32 H new ATOM 0 HE21 GLN A 64 -4.291 -22.496 17.226 1.00 1.21 H new ATOM 0 HE22 GLN A 64 -5.970 -22.025 16.941 1.00 1.21 H new ATOM 1037 N ASP A 65 -0.652 -20.282 16.302 1.00 61.05 N ATOM 1038 CA ASP A 65 0.092 -20.377 17.548 1.00 0.13 C ATOM 1039 C ASP A 65 -0.480 -19.488 18.656 1.00 0.31 C ATOM 1040 O ASP A 65 -0.486 -19.888 19.818 1.00 34.12 O ATOM 1041 CB ASP A 65 1.581 -19.985 17.343 1.00 52.11 C ATOM 1042 CG ASP A 65 2.304 -21.000 16.468 1.00 21.02 C ATOM 1043 OD1 ASP A 65 1.999 -21.030 15.245 1.00 13.52 O ATOM 1044 OD2 ASP A 65 3.169 -21.738 17.005 1.00 53.15 O ATOM 0 H ASP A 65 -0.073 -19.993 15.514 1.00 61.05 H new ATOM 0 HA ASP A 65 0.007 -21.419 17.856 1.00 0.13 H new ATOM 0 HB2 ASP A 65 1.640 -18.998 16.884 1.00 52.11 H new ATOM 0 HB3 ASP A 65 2.078 -19.916 18.311 1.00 52.11 H new ATOM 1049 N MET A 66 -0.985 -18.270 18.336 1.00 74.04 N ATOM 1050 CA MET A 66 -1.607 -17.419 19.344 1.00 12.21 C ATOM 1051 C MET A 66 -3.047 -17.812 19.638 1.00 53.51 C ATOM 1052 O MET A 66 -3.618 -17.346 20.622 1.00 21.12 O ATOM 1053 CB MET A 66 -1.554 -15.907 18.983 1.00 61.23 C ATOM 1054 CG MET A 66 -2.458 -15.397 17.844 1.00 32.11 C ATOM 1055 SD MET A 66 -2.250 -13.629 17.444 1.00 24.02 S ATOM 1056 CE MET A 66 -2.967 -12.904 18.948 1.00 11.32 C ATOM 0 H MET A 66 -0.968 -17.872 17.397 1.00 74.04 H new ATOM 0 HA MET A 66 -1.010 -17.579 20.241 1.00 12.21 H new ATOM 0 HB2 MET A 66 -1.800 -15.342 19.882 1.00 61.23 H new ATOM 0 HB3 MET A 66 -0.524 -15.662 18.725 1.00 61.23 H new ATOM 0 HG2 MET A 66 -2.258 -15.985 16.948 1.00 32.11 H new ATOM 0 HG3 MET A 66 -3.498 -15.575 18.116 1.00 32.11 H new ATOM 0 HE1 MET A 66 -3.727 -12.172 18.673 1.00 11.32 H new ATOM 0 HE2 MET A 66 -3.422 -13.691 19.550 1.00 11.32 H new ATOM 0 HE3 MET A 66 -2.183 -12.413 19.525 1.00 11.32 H new ATOM 1066 N ASN A 67 -3.641 -18.699 18.799 1.00 23.54 N ATOM 1067 CA ASN A 67 -4.993 -19.232 18.869 1.00 35.42 C ATOM 1068 C ASN A 67 -6.128 -18.227 18.736 1.00 14.12 C ATOM 1069 O ASN A 67 -7.234 -18.490 19.205 1.00 70.21 O ATOM 1070 CB ASN A 67 -5.200 -20.090 20.162 1.00 24.53 C ATOM 1071 CG ASN A 67 -4.364 -21.368 20.107 1.00 55.54 C ATOM 1072 OD1 ASN A 67 -4.791 -22.363 19.516 1.00 13.40 O ATOM 1073 ND2 ASN A 67 -3.149 -21.358 20.706 1.00 64.30 N ATOM 0 H ASN A 67 -3.133 -19.079 18.000 1.00 23.54 H new ATOM 0 HA ASN A 67 -5.059 -19.852 17.975 1.00 35.42 H new ATOM 0 HB2 ASN A 67 -4.922 -19.506 21.039 1.00 24.53 H new ATOM 0 HB3 ASN A 67 -6.254 -20.345 20.270 1.00 24.53 H new ATOM 0 HD21 ASN A 67 -2.559 -22.189 20.676 1.00 64.30 H new ATOM 0 HD22 ASN A 67 -2.824 -20.519 21.187 1.00 64.30 H new ATOM 1080 N LEU A 68 -5.934 -17.059 18.069 1.00 40.42 N ATOM 1081 CA LEU A 68 -7.034 -16.119 17.922 1.00 12.35 C ATOM 1082 C LEU A 68 -7.938 -16.513 16.775 1.00 22.51 C ATOM 1083 O LEU A 68 -7.507 -16.596 15.627 1.00 34.23 O ATOM 1084 CB LEU A 68 -6.564 -14.664 17.667 1.00 61.33 C ATOM 1085 CG LEU A 68 -7.524 -13.546 18.155 1.00 63.50 C ATOM 1086 CD1 LEU A 68 -7.227 -12.161 17.593 1.00 32.03 C ATOM 1087 CD2 LEU A 68 -8.990 -13.884 18.472 1.00 20.11 C ATOM 0 H LEU A 68 -5.053 -16.769 17.645 1.00 40.42 H new ATOM 0 HA LEU A 68 -7.568 -16.156 18.872 1.00 12.35 H new ATOM 0 HB2 LEU A 68 -5.598 -14.524 18.153 1.00 61.33 H new ATOM 0 HB3 LEU A 68 -6.404 -14.537 16.596 1.00 61.33 H new ATOM 0 HG LEU A 68 -7.217 -13.478 19.199 1.00 63.50 H new ATOM 0 HD11 LEU A 68 -7.948 -11.446 17.989 1.00 32.03 H new ATOM 0 HD12 LEU A 68 -6.220 -11.859 17.882 1.00 32.03 H new ATOM 0 HD13 LEU A 68 -7.300 -12.186 16.506 1.00 32.03 H new ATOM 0 HD21 LEU A 68 -9.509 -12.983 18.798 1.00 20.11 H new ATOM 0 HD22 LEU A 68 -9.474 -14.278 17.578 1.00 20.11 H new ATOM 0 HD23 LEU A 68 -9.028 -14.631 19.265 1.00 20.11 H new ATOM 1099 N HIS A 69 -9.238 -16.718 17.059 1.00 63.25 N ATOM 1100 CA HIS A 69 -10.223 -16.832 16.013 1.00 22.24 C ATOM 1101 C HIS A 69 -11.452 -16.139 16.520 1.00 1.33 C ATOM 1102 O HIS A 69 -11.634 -15.987 17.729 1.00 21.14 O ATOM 1103 CB HIS A 69 -10.542 -18.305 15.636 1.00 50.12 C ATOM 1104 CG HIS A 69 -9.398 -19.062 15.002 1.00 41.21 C ATOM 1105 ND1 HIS A 69 -9.161 -18.998 13.656 1.00 63.20 N ATOM 1106 CD2 HIS A 69 -8.480 -19.914 15.520 1.00 40.40 C ATOM 1107 CE1 HIS A 69 -8.151 -19.796 13.361 1.00 21.04 C ATOM 1108 NE2 HIS A 69 -7.722 -20.369 14.471 1.00 45.24 N ATOM 0 H HIS A 69 -9.611 -16.805 18.004 1.00 63.25 H new ATOM 0 HA HIS A 69 -9.842 -16.379 15.098 1.00 22.24 H new ATOM 0 HB2 HIS A 69 -10.855 -18.835 16.535 1.00 50.12 H new ATOM 0 HB3 HIS A 69 -11.389 -18.314 14.950 1.00 50.12 H new ATOM 0 HD2 HIS A 69 -8.367 -20.183 16.560 1.00 40.40 H new ATOM 0 HE1 HIS A 69 -7.743 -19.954 12.374 1.00 21.04 H new ATOM 0 HE2 HIS A 69 -6.955 -21.038 14.537 1.00 45.24 H new ATOM 1117 N HIS A 70 -12.314 -15.640 15.607 1.00 1.32 N ATOM 1118 CA HIS A 70 -13.452 -14.853 16.019 1.00 73.43 C ATOM 1119 C HIS A 70 -14.532 -15.687 16.679 1.00 52.00 C ATOM 1120 O HIS A 70 -14.843 -16.808 16.281 1.00 24.13 O ATOM 1121 CB HIS A 70 -14.057 -14.027 14.849 1.00 13.35 C ATOM 1122 CG HIS A 70 -14.544 -14.845 13.683 1.00 71.51 C ATOM 1123 ND1 HIS A 70 -13.780 -15.069 12.570 1.00 74.04 N ATOM 1124 CD2 HIS A 70 -15.704 -15.514 13.505 1.00 15.32 C ATOM 1125 CE1 HIS A 70 -14.455 -15.845 11.742 1.00 63.42 C ATOM 1126 NE2 HIS A 70 -15.623 -16.132 12.286 1.00 33.11 N ATOM 0 H HIS A 70 -12.229 -15.776 14.600 1.00 1.32 H new ATOM 0 HA HIS A 70 -13.065 -14.157 16.763 1.00 73.43 H new ATOM 0 HB2 HIS A 70 -14.889 -13.436 15.232 1.00 13.35 H new ATOM 0 HB3 HIS A 70 -13.304 -13.324 14.492 1.00 13.35 H new ATOM 0 HD2 HIS A 70 -16.536 -15.554 14.193 1.00 15.32 H new ATOM 0 HE1 HIS A 70 -14.109 -16.188 10.778 1.00 63.42 H new ATOM 0 HE2 HIS A 70 -16.346 -16.717 11.867 1.00 33.11 H new ATOM 1135 N GLY A 71 -15.114 -15.113 17.749 1.00 63.14 N ATOM 1136 CA GLY A 71 -16.219 -15.696 18.503 1.00 70.21 C ATOM 1137 C GLY A 71 -15.830 -16.553 19.684 1.00 4.13 C ATOM 1138 O GLY A 71 -16.670 -16.846 20.529 1.00 40.11 O ATOM 0 H GLY A 71 -14.815 -14.209 18.115 1.00 63.14 H new ATOM 0 HA2 GLY A 71 -16.857 -14.887 18.860 1.00 70.21 H new ATOM 0 HA3 GLY A 71 -16.820 -16.300 17.823 1.00 70.21 H new ATOM 1142 N LYS A 72 -14.550 -16.967 19.800 1.00 73.34 N ATOM 1143 CA LYS A 72 -14.081 -17.896 20.815 1.00 0.02 C ATOM 1144 C LYS A 72 -13.091 -17.193 21.722 1.00 63.35 C ATOM 1145 O LYS A 72 -12.049 -17.734 22.098 1.00 50.31 O ATOM 1146 CB LYS A 72 -13.433 -19.192 20.235 1.00 3.13 C ATOM 1147 CG LYS A 72 -14.403 -20.185 19.550 1.00 53.54 C ATOM 1148 CD LYS A 72 -14.853 -19.847 18.117 1.00 54.14 C ATOM 1149 CE LYS A 72 -13.752 -19.997 17.069 1.00 54.33 C ATOM 1150 NZ LYS A 72 -14.278 -19.564 15.762 1.00 5.54 N ATOM 0 H LYS A 72 -13.811 -16.651 19.172 1.00 73.34 H new ATOM 0 HA LYS A 72 -14.961 -18.218 21.371 1.00 0.02 H new ATOM 0 HB2 LYS A 72 -12.671 -18.902 19.512 1.00 3.13 H new ATOM 0 HB3 LYS A 72 -12.922 -19.713 21.045 1.00 3.13 H new ATOM 0 HG2 LYS A 72 -13.928 -21.166 19.533 1.00 53.54 H new ATOM 0 HG3 LYS A 72 -15.293 -20.273 20.173 1.00 53.54 H new ATOM 0 HD2 LYS A 72 -15.688 -20.494 17.847 1.00 54.14 H new ATOM 0 HD3 LYS A 72 -15.224 -18.822 18.096 1.00 54.14 H new ATOM 0 HE2 LYS A 72 -12.885 -19.397 17.344 1.00 54.33 H new ATOM 0 HE3 LYS A 72 -13.419 -21.034 17.017 1.00 54.33 H new ATOM 0 HZ1 LYS A 72 -13.553 -19.710 15.031 1.00 5.54 H new ATOM 0 HZ2 LYS A 72 -15.124 -20.121 15.527 1.00 5.54 H new ATOM 0 HZ3 LYS A 72 -14.528 -18.556 15.805 1.00 5.54 H new ATOM 1164 N ALA A 73 -13.438 -15.954 22.146 1.00 12.23 N ATOM 1165 CA ALA A 73 -12.631 -15.123 23.016 1.00 62.21 C ATOM 1166 C ALA A 73 -12.335 -15.761 24.331 1.00 14.51 C ATOM 1167 O ALA A 73 -11.194 -15.711 24.757 1.00 74.40 O ATOM 1168 CB ALA A 73 -13.327 -13.800 23.352 1.00 64.45 C ATOM 0 H ALA A 73 -14.315 -15.510 21.874 1.00 12.23 H new ATOM 0 HA ALA A 73 -11.712 -14.967 22.450 1.00 62.21 H new ATOM 0 HB1 ALA A 73 -12.687 -13.208 24.006 1.00 64.45 H new ATOM 0 HB2 ALA A 73 -13.518 -13.246 22.433 1.00 64.45 H new ATOM 0 HB3 ALA A 73 -14.272 -14.004 23.856 1.00 64.45 H new ATOM 1174 N MET A 74 -13.314 -16.400 24.997 1.00 32.15 N ATOM 1175 CA MET A 74 -13.076 -16.948 26.324 1.00 62.02 C ATOM 1176 C MET A 74 -11.993 -18.024 26.328 1.00 23.22 C ATOM 1177 O MET A 74 -11.140 -18.059 27.211 1.00 43.44 O ATOM 1178 CB MET A 74 -14.365 -17.528 26.960 1.00 13.12 C ATOM 1179 CG MET A 74 -15.403 -16.441 27.302 1.00 71.01 C ATOM 1180 SD MET A 74 -16.900 -17.056 28.136 1.00 55.34 S ATOM 1181 CE MET A 74 -16.139 -17.359 29.759 1.00 35.22 C ATOM 0 H MET A 74 -14.258 -16.543 24.637 1.00 32.15 H new ATOM 0 HA MET A 74 -12.733 -16.105 26.923 1.00 62.02 H new ATOM 0 HB2 MET A 74 -14.812 -18.247 26.274 1.00 13.12 H new ATOM 0 HB3 MET A 74 -14.104 -18.073 27.867 1.00 13.12 H new ATOM 0 HG2 MET A 74 -14.930 -15.693 27.939 1.00 71.01 H new ATOM 0 HG3 MET A 74 -15.697 -15.936 26.382 1.00 71.01 H new ATOM 0 HE1 MET A 74 -16.912 -17.365 30.528 1.00 35.22 H new ATOM 0 HE2 MET A 74 -15.630 -18.323 29.748 1.00 35.22 H new ATOM 0 HE3 MET A 74 -15.418 -16.571 29.976 1.00 35.22 H new ATOM 1191 N GLU A 75 -11.990 -18.902 25.302 1.00 61.11 N ATOM 1192 CA GLU A 75 -10.971 -19.929 25.126 1.00 13.31 C ATOM 1193 C GLU A 75 -9.600 -19.361 24.778 1.00 1.51 C ATOM 1194 O GLU A 75 -8.587 -19.736 25.365 1.00 54.11 O ATOM 1195 CB GLU A 75 -11.388 -20.937 24.023 1.00 24.12 C ATOM 1196 CG GLU A 75 -12.614 -21.799 24.415 1.00 11.11 C ATOM 1197 CD GLU A 75 -13.017 -22.771 23.306 1.00 2.33 C ATOM 1198 OE1 GLU A 75 -14.136 -22.598 22.756 1.00 50.53 O ATOM 1199 OE2 GLU A 75 -12.214 -23.693 23.009 1.00 64.51 O ATOM 0 H GLU A 75 -12.705 -18.908 24.574 1.00 61.11 H new ATOM 0 HA GLU A 75 -10.890 -20.432 26.090 1.00 13.31 H new ATOM 0 HB2 GLU A 75 -11.614 -20.391 23.107 1.00 24.12 H new ATOM 0 HB3 GLU A 75 -10.546 -21.593 23.803 1.00 24.12 H new ATOM 0 HG2 GLU A 75 -12.386 -22.360 25.322 1.00 11.11 H new ATOM 0 HG3 GLU A 75 -13.456 -21.146 24.647 1.00 11.11 H new ATOM 1206 N PHE A 76 -9.563 -18.391 23.839 1.00 72.21 N ATOM 1207 CA PHE A 76 -8.395 -17.623 23.447 1.00 54.30 C ATOM 1208 C PHE A 76 -7.795 -16.818 24.585 1.00 21.33 C ATOM 1209 O PHE A 76 -6.598 -16.876 24.846 1.00 41.23 O ATOM 1210 CB PHE A 76 -8.813 -16.706 22.258 1.00 72.24 C ATOM 1211 CG PHE A 76 -7.801 -15.644 21.918 1.00 21.40 C ATOM 1212 CD1 PHE A 76 -6.578 -15.928 21.303 1.00 71.32 C ATOM 1213 CD2 PHE A 76 -8.061 -14.332 22.340 1.00 75.53 C ATOM 1214 CE1 PHE A 76 -5.662 -14.901 21.037 1.00 43.51 C ATOM 1215 CE2 PHE A 76 -7.107 -13.331 22.168 1.00 73.40 C ATOM 1216 CZ PHE A 76 -5.921 -13.601 21.481 1.00 10.32 C ATOM 0 H PHE A 76 -10.396 -18.120 23.317 1.00 72.21 H new ATOM 0 HA PHE A 76 -7.605 -18.311 23.147 1.00 54.30 H new ATOM 0 HB2 PHE A 76 -8.984 -17.325 21.378 1.00 72.24 H new ATOM 0 HB3 PHE A 76 -9.761 -16.226 22.499 1.00 72.24 H new ATOM 0 HD1 PHE A 76 -6.338 -16.945 21.031 1.00 71.32 H new ATOM 0 HD2 PHE A 76 -9.008 -14.096 22.802 1.00 75.53 H new ATOM 0 HE1 PHE A 76 -4.756 -15.114 20.489 1.00 43.51 H new ATOM 0 HE2 PHE A 76 -7.285 -12.343 22.567 1.00 73.40 H new ATOM 0 HZ PHE A 76 -5.209 -12.811 21.294 1.00 10.32 H new ATOM 1226 N ALA A 77 -8.627 -16.064 25.316 1.00 43.35 N ATOM 1227 CA ALA A 77 -8.213 -15.179 26.369 1.00 64.41 C ATOM 1228 C ALA A 77 -7.520 -15.899 27.510 1.00 32.43 C ATOM 1229 O ALA A 77 -6.497 -15.444 28.021 1.00 35.14 O ATOM 1230 CB ALA A 77 -9.469 -14.451 26.832 1.00 20.40 C ATOM 0 H ALA A 77 -9.637 -16.067 25.172 1.00 43.35 H new ATOM 0 HA ALA A 77 -7.464 -14.479 26.000 1.00 64.41 H new ATOM 0 HB1 ALA A 77 -9.214 -13.761 27.636 1.00 20.40 H new ATOM 0 HB2 ALA A 77 -9.895 -13.894 25.998 1.00 20.40 H new ATOM 0 HB3 ALA A 77 -10.197 -15.177 27.194 1.00 20.40 H new ATOM 1236 N MET A 78 -8.048 -17.084 27.896 1.00 33.04 N ATOM 1237 CA MET A 78 -7.445 -17.961 28.879 1.00 31.34 C ATOM 1238 C MET A 78 -6.087 -18.518 28.458 1.00 1.21 C ATOM 1239 O MET A 78 -5.178 -18.619 29.280 1.00 44.22 O ATOM 1240 CB MET A 78 -8.435 -19.079 29.281 1.00 62.23 C ATOM 1241 CG MET A 78 -9.629 -18.525 30.099 1.00 44.12 C ATOM 1242 SD MET A 78 -10.904 -19.763 30.500 1.00 22.22 S ATOM 1243 CE MET A 78 -9.902 -20.804 31.601 1.00 72.34 C ATOM 0 H MET A 78 -8.922 -17.447 27.515 1.00 33.04 H new ATOM 0 HA MET A 78 -7.234 -17.351 29.757 1.00 31.34 H new ATOM 0 HB2 MET A 78 -8.808 -19.574 28.384 1.00 62.23 H new ATOM 0 HB3 MET A 78 -7.912 -19.834 29.868 1.00 62.23 H new ATOM 0 HG2 MET A 78 -9.251 -18.097 31.027 1.00 44.12 H new ATOM 0 HG3 MET A 78 -10.092 -17.713 29.539 1.00 44.12 H new ATOM 0 HE1 MET A 78 -10.555 -21.468 32.167 1.00 72.34 H new ATOM 0 HE2 MET A 78 -9.207 -21.398 31.007 1.00 72.34 H new ATOM 0 HE3 MET A 78 -9.342 -20.171 32.290 1.00 72.34 H new ATOM 1253 N LYS A 79 -5.877 -18.826 27.152 1.00 20.25 N ATOM 1254 CA LYS A 79 -4.567 -19.197 26.610 1.00 64.33 C ATOM 1255 C LYS A 79 -3.527 -18.082 26.768 1.00 35.22 C ATOM 1256 O LYS A 79 -2.332 -18.344 26.886 1.00 11.13 O ATOM 1257 CB LYS A 79 -4.645 -19.571 25.101 1.00 71.23 C ATOM 1258 CG LYS A 79 -5.379 -20.889 24.791 1.00 41.40 C ATOM 1259 CD LYS A 79 -4.556 -22.141 25.145 1.00 51.42 C ATOM 1260 CE LYS A 79 -5.295 -23.470 24.955 1.00 4.23 C ATOM 1261 NZ LYS A 79 -5.593 -23.704 23.529 1.00 2.22 N ATOM 0 H LYS A 79 -6.620 -18.821 26.453 1.00 20.25 H new ATOM 0 HA LYS A 79 -4.256 -20.065 27.192 1.00 64.33 H new ATOM 0 HB2 LYS A 79 -5.143 -18.762 24.567 1.00 71.23 H new ATOM 0 HB3 LYS A 79 -3.631 -19.636 24.706 1.00 71.23 H new ATOM 0 HG2 LYS A 79 -6.319 -20.912 25.343 1.00 41.40 H new ATOM 0 HG3 LYS A 79 -5.631 -20.916 23.731 1.00 41.40 H new ATOM 0 HD2 LYS A 79 -3.655 -22.152 24.532 1.00 51.42 H new ATOM 0 HD3 LYS A 79 -4.234 -22.065 26.184 1.00 51.42 H new ATOM 0 HE2 LYS A 79 -4.688 -24.288 25.343 1.00 4.23 H new ATOM 0 HE3 LYS A 79 -6.222 -23.461 25.528 1.00 4.23 H new ATOM 0 HZ1 LYS A 79 -6.079 -24.617 23.421 1.00 2.22 H new ATOM 0 HZ2 LYS A 79 -6.205 -22.942 23.173 1.00 2.22 H new ATOM 0 HZ3 LYS A 79 -4.706 -23.718 22.987 1.00 2.22 H new ATOM 1275 N HIS A 80 -3.977 -16.809 26.805 1.00 51.12 N ATOM 1276 CA HIS A 80 -3.156 -15.626 26.989 1.00 53.40 C ATOM 1277 C HIS A 80 -3.030 -15.168 28.426 1.00 70.14 C ATOM 1278 O HIS A 80 -2.534 -14.074 28.693 1.00 62.54 O ATOM 1279 CB HIS A 80 -3.674 -14.486 26.094 1.00 62.51 C ATOM 1280 CG HIS A 80 -3.340 -14.774 24.655 1.00 35.22 C ATOM 1281 ND1 HIS A 80 -2.077 -14.564 24.170 1.00 14.03 N ATOM 1282 CD2 HIS A 80 -3.994 -15.506 23.729 1.00 24.25 C ATOM 1283 CE1 HIS A 80 -1.969 -15.149 22.991 1.00 23.11 C ATOM 1284 NE2 HIS A 80 -3.115 -15.735 22.706 1.00 32.31 N ATOM 0 H HIS A 80 -4.967 -16.585 26.702 1.00 51.12 H new ATOM 0 HA HIS A 80 -2.146 -15.908 26.691 1.00 53.40 H new ATOM 0 HB2 HIS A 80 -4.752 -14.380 26.212 1.00 62.51 H new ATOM 0 HB3 HIS A 80 -3.226 -13.540 26.398 1.00 62.51 H new ATOM 0 HD2 HIS A 80 -5.017 -15.847 23.785 1.00 24.25 H new ATOM 0 HE1 HIS A 80 -1.089 -15.148 22.365 1.00 23.11 H new ATOM 0 HE2 HIS A 80 -3.314 -16.271 21.861 1.00 32.31 H new ATOM 1293 N GLY A 81 -3.424 -16.012 29.405 1.00 33.12 N ATOM 1294 CA GLY A 81 -3.101 -15.775 30.805 1.00 0.10 C ATOM 1295 C GLY A 81 -4.182 -15.088 31.577 1.00 22.13 C ATOM 1296 O GLY A 81 -4.043 -14.875 32.779 1.00 74.33 O ATOM 0 H GLY A 81 -3.966 -16.860 29.238 1.00 33.12 H new ATOM 0 HA2 GLY A 81 -2.881 -16.730 31.282 1.00 0.10 H new ATOM 0 HA3 GLY A 81 -2.193 -15.174 30.860 1.00 0.10 H new ATOM 1300 N ALA A 82 -5.317 -14.748 30.932 1.00 63.13 N ATOM 1301 CA ALA A 82 -6.515 -14.382 31.668 1.00 14.31 C ATOM 1302 C ALA A 82 -7.089 -15.573 32.447 1.00 63.55 C ATOM 1303 O ALA A 82 -7.104 -16.705 31.972 1.00 5.43 O ATOM 1304 CB ALA A 82 -7.602 -13.842 30.714 1.00 34.43 C ATOM 0 H ALA A 82 -5.416 -14.723 29.917 1.00 63.13 H new ATOM 0 HA ALA A 82 -6.224 -13.605 32.375 1.00 14.31 H new ATOM 0 HB1 ALA A 82 -8.489 -13.575 31.288 1.00 34.43 H new ATOM 0 HB2 ALA A 82 -7.226 -12.960 30.196 1.00 34.43 H new ATOM 0 HB3 ALA A 82 -7.860 -14.610 29.984 1.00 34.43 H new ATOM 1310 N ASP A 83 -7.604 -15.361 33.682 1.00 72.10 N ATOM 1311 CA ASP A 83 -8.387 -16.390 34.352 1.00 52.24 C ATOM 1312 C ASP A 83 -9.806 -16.326 33.807 1.00 21.43 C ATOM 1313 O ASP A 83 -10.177 -15.377 33.121 1.00 13.12 O ATOM 1314 CB ASP A 83 -8.424 -16.224 35.890 1.00 1.12 C ATOM 1315 CG ASP A 83 -7.019 -16.338 36.471 1.00 53.54 C ATOM 1316 OD1 ASP A 83 -6.555 -15.332 37.066 1.00 42.42 O ATOM 1317 OD2 ASP A 83 -6.425 -17.440 36.351 1.00 22.34 O ATOM 0 H ASP A 83 -7.487 -14.499 34.214 1.00 72.10 H new ATOM 0 HA ASP A 83 -7.916 -17.353 34.154 1.00 52.24 H new ATOM 0 HB2 ASP A 83 -8.853 -15.256 36.147 1.00 1.12 H new ATOM 0 HB3 ASP A 83 -9.069 -16.985 36.329 1.00 1.12 H new ATOM 1322 N GLU A 84 -10.654 -17.335 34.103 1.00 14.31 N ATOM 1323 CA GLU A 84 -11.977 -17.448 33.493 1.00 70.14 C ATOM 1324 C GLU A 84 -12.902 -16.306 33.884 1.00 12.14 C ATOM 1325 O GLU A 84 -13.686 -15.805 33.081 1.00 50.31 O ATOM 1326 CB GLU A 84 -12.643 -18.824 33.791 1.00 1.10 C ATOM 1327 CG GLU A 84 -12.973 -19.113 35.274 1.00 31.43 C ATOM 1328 CD GLU A 84 -13.579 -20.505 35.475 1.00 12.45 C ATOM 1329 OE1 GLU A 84 -12.931 -21.323 36.177 1.00 42.12 O ATOM 1330 OE2 GLU A 84 -14.691 -20.748 34.940 1.00 60.55 O ATOM 0 H GLU A 84 -10.435 -18.080 34.764 1.00 14.31 H new ATOM 0 HA GLU A 84 -11.815 -17.379 32.417 1.00 70.14 H new ATOM 0 HB2 GLU A 84 -13.566 -18.890 33.215 1.00 1.10 H new ATOM 0 HB3 GLU A 84 -11.983 -19.611 33.427 1.00 1.10 H new ATOM 0 HG2 GLU A 84 -12.064 -19.026 35.870 1.00 31.43 H new ATOM 0 HG3 GLU A 84 -13.669 -18.360 35.642 1.00 31.43 H new ATOM 1337 N ALA A 85 -12.757 -15.843 35.142 1.00 3.13 N ATOM 1338 CA ALA A 85 -13.421 -14.693 35.710 1.00 21.41 C ATOM 1339 C ALA A 85 -12.977 -13.392 35.060 1.00 53.44 C ATOM 1340 O ALA A 85 -13.778 -12.521 34.730 1.00 4.11 O ATOM 1341 CB ALA A 85 -13.143 -14.657 37.224 1.00 51.11 C ATOM 0 H ALA A 85 -12.136 -16.299 35.810 1.00 3.13 H new ATOM 0 HA ALA A 85 -14.491 -14.788 35.523 1.00 21.41 H new ATOM 0 HB1 ALA A 85 -13.639 -13.792 37.665 1.00 51.11 H new ATOM 0 HB2 ALA A 85 -13.523 -15.568 37.686 1.00 51.11 H new ATOM 0 HB3 ALA A 85 -12.069 -14.585 37.395 1.00 51.11 H new ATOM 1347 N MET A 86 -11.655 -13.238 34.841 1.00 62.45 N ATOM 1348 CA MET A 86 -11.084 -12.079 34.199 1.00 34.33 C ATOM 1349 C MET A 86 -11.416 -12.015 32.721 1.00 62.33 C ATOM 1350 O MET A 86 -11.639 -10.942 32.164 1.00 32.42 O ATOM 1351 CB MET A 86 -9.558 -12.019 34.381 1.00 54.13 C ATOM 1352 CG MET A 86 -9.101 -11.944 35.853 1.00 24.11 C ATOM 1353 SD MET A 86 -9.875 -10.643 36.856 1.00 3.54 S ATOM 1354 CE MET A 86 -8.797 -10.895 38.294 1.00 75.14 C ATOM 0 H MET A 86 -10.962 -13.934 35.115 1.00 62.45 H new ATOM 0 HA MET A 86 -11.535 -11.217 34.690 1.00 34.33 H new ATOM 0 HB2 MET A 86 -9.113 -12.900 33.918 1.00 54.13 H new ATOM 0 HB3 MET A 86 -9.173 -11.150 33.848 1.00 54.13 H new ATOM 0 HG2 MET A 86 -9.299 -12.906 36.325 1.00 24.11 H new ATOM 0 HG3 MET A 86 -8.021 -11.797 35.871 1.00 24.11 H new ATOM 0 HE1 MET A 86 -9.072 -10.195 39.082 1.00 75.14 H new ATOM 0 HE2 MET A 86 -8.910 -11.916 38.659 1.00 75.14 H new ATOM 0 HE3 MET A 86 -7.760 -10.726 38.005 1.00 75.14 H new ATOM 1364 N ALA A 87 -11.458 -13.181 32.046 1.00 55.04 N ATOM 1365 CA ALA A 87 -11.863 -13.292 30.663 1.00 22.52 C ATOM 1366 C ALA A 87 -13.298 -12.830 30.416 1.00 71.51 C ATOM 1367 O ALA A 87 -13.571 -12.020 29.530 1.00 40.22 O ATOM 1368 CB ALA A 87 -11.706 -14.758 30.209 1.00 21.25 C ATOM 0 H ALA A 87 -11.205 -14.075 32.468 1.00 55.04 H new ATOM 0 HA ALA A 87 -11.218 -12.631 30.084 1.00 22.52 H new ATOM 0 HB1 ALA A 87 -12.010 -14.850 29.166 1.00 21.25 H new ATOM 0 HB2 ALA A 87 -10.664 -15.061 30.312 1.00 21.25 H new ATOM 0 HB3 ALA A 87 -12.333 -15.400 30.828 1.00 21.25 H new ATOM 1374 N LYS A 88 -14.255 -13.282 31.260 1.00 11.23 N ATOM 1375 CA LYS A 88 -15.640 -12.843 31.188 1.00 42.32 C ATOM 1376 C LYS A 88 -15.804 -11.390 31.593 1.00 23.32 C ATOM 1377 O LYS A 88 -16.687 -10.700 31.092 1.00 1.50 O ATOM 1378 CB LYS A 88 -16.621 -13.747 31.993 1.00 72.44 C ATOM 1379 CG LYS A 88 -16.468 -13.754 33.522 1.00 42.23 C ATOM 1380 CD LYS A 88 -17.486 -14.672 34.219 1.00 44.32 C ATOM 1381 CE LYS A 88 -17.435 -14.611 35.746 1.00 3.33 C ATOM 1382 NZ LYS A 88 -18.523 -15.434 36.312 1.00 41.50 N ATOM 0 H LYS A 88 -14.075 -13.958 32.002 1.00 11.23 H new ATOM 0 HA LYS A 88 -15.911 -12.938 30.136 1.00 42.32 H new ATOM 0 HB2 LYS A 88 -17.639 -13.437 31.756 1.00 72.44 H new ATOM 0 HB3 LYS A 88 -16.508 -14.771 31.637 1.00 72.44 H new ATOM 0 HG2 LYS A 88 -15.459 -14.076 33.780 1.00 42.23 H new ATOM 0 HG3 LYS A 88 -16.584 -12.738 33.899 1.00 42.23 H new ATOM 0 HD2 LYS A 88 -18.489 -14.402 33.888 1.00 44.32 H new ATOM 0 HD3 LYS A 88 -17.311 -15.700 33.901 1.00 44.32 H new ATOM 0 HE2 LYS A 88 -16.470 -14.971 36.102 1.00 3.33 H new ATOM 0 HE3 LYS A 88 -17.534 -13.579 36.082 1.00 3.33 H new ATOM 0 HZ1 LYS A 88 -18.486 -15.391 37.350 1.00 41.50 H new ATOM 0 HZ2 LYS A 88 -19.440 -15.071 35.983 1.00 41.50 H new ATOM 0 HZ3 LYS A 88 -18.409 -16.420 36.002 1.00 41.50 H new ATOM 1396 N GLN A 89 -14.910 -10.860 32.462 1.00 30.22 N ATOM 1397 CA GLN A 89 -14.816 -9.448 32.759 1.00 60.25 C ATOM 1398 C GLN A 89 -14.486 -8.562 31.576 1.00 4.25 C ATOM 1399 O GLN A 89 -15.124 -7.523 31.429 1.00 43.31 O ATOM 1400 CB GLN A 89 -13.834 -9.170 33.923 1.00 43.41 C ATOM 1401 CG GLN A 89 -13.653 -7.667 34.229 1.00 73.34 C ATOM 1402 CD GLN A 89 -13.024 -7.397 35.594 1.00 1.12 C ATOM 1403 OE1 GLN A 89 -13.598 -6.712 36.442 1.00 14.41 O ATOM 1404 NE2 GLN A 89 -11.807 -7.948 35.818 1.00 23.11 N ATOM 0 H GLN A 89 -14.233 -11.427 32.973 1.00 30.22 H new ATOM 0 HA GLN A 89 -15.827 -9.176 33.061 1.00 60.25 H new ATOM 0 HB2 GLN A 89 -14.193 -9.675 34.820 1.00 43.41 H new ATOM 0 HB3 GLN A 89 -12.864 -9.603 33.681 1.00 43.41 H new ATOM 0 HG2 GLN A 89 -13.030 -7.219 33.455 1.00 73.34 H new ATOM 0 HG3 GLN A 89 -14.624 -7.175 34.181 1.00 73.34 H new ATOM 0 HE21 GLN A 89 -11.360 -8.510 35.093 1.00 23.11 H new ATOM 0 HE22 GLN A 89 -11.337 -7.801 36.711 1.00 23.11 H new ATOM 1413 N LEU A 90 -13.546 -8.915 30.662 1.00 12.42 N ATOM 1414 CA LEU A 90 -13.290 -8.114 29.497 1.00 2.42 C ATOM 1415 C LEU A 90 -14.502 -8.029 28.577 1.00 41.53 C ATOM 1416 O LEU A 90 -14.873 -6.961 28.092 1.00 41.15 O ATOM 1417 CB LEU A 90 -12.069 -8.687 28.751 1.00 44.33 C ATOM 1418 CG LEU A 90 -10.685 -8.596 29.444 1.00 32.23 C ATOM 1419 CD1 LEU A 90 -9.572 -9.132 28.514 1.00 65.12 C ATOM 1420 CD2 LEU A 90 -10.302 -7.202 29.967 1.00 33.40 C ATOM 0 H LEU A 90 -12.968 -9.752 30.733 1.00 12.42 H new ATOM 0 HA LEU A 90 -13.078 -7.095 29.820 1.00 2.42 H new ATOM 0 HB2 LEU A 90 -12.269 -9.738 28.541 1.00 44.33 H new ATOM 0 HB3 LEU A 90 -11.996 -8.178 27.790 1.00 44.33 H new ATOM 0 HG LEU A 90 -10.780 -9.223 30.330 1.00 32.23 H new ATOM 0 HD11 LEU A 90 -8.609 -9.059 29.019 1.00 65.12 H new ATOM 0 HD12 LEU A 90 -9.774 -10.174 28.267 1.00 65.12 H new ATOM 0 HD13 LEU A 90 -9.547 -8.541 27.599 1.00 65.12 H new ATOM 0 HD21 LEU A 90 -9.318 -7.246 30.433 1.00 33.40 H new ATOM 0 HD22 LEU A 90 -10.279 -6.496 29.137 1.00 33.40 H new ATOM 0 HD23 LEU A 90 -11.037 -6.874 30.702 1.00 33.40 H new ATOM 1432 N LEU A 91 -15.200 -9.161 28.377 1.00 0.33 N ATOM 1433 CA LEU A 91 -16.455 -9.208 27.654 1.00 20.41 C ATOM 1434 C LEU A 91 -17.559 -8.409 28.369 1.00 2.21 C ATOM 1435 O LEU A 91 -18.311 -7.671 27.734 1.00 15.10 O ATOM 1436 CB LEU A 91 -16.830 -10.696 27.434 1.00 43.44 C ATOM 1437 CG LEU A 91 -15.867 -11.433 26.466 1.00 41.20 C ATOM 1438 CD1 LEU A 91 -15.703 -12.911 26.829 1.00 71.03 C ATOM 1439 CD2 LEU A 91 -16.340 -11.344 25.013 1.00 23.43 C ATOM 0 H LEU A 91 -14.894 -10.071 28.722 1.00 0.33 H new ATOM 0 HA LEU A 91 -16.345 -8.725 26.683 1.00 20.41 H new ATOM 0 HB2 LEU A 91 -16.831 -11.209 28.395 1.00 43.44 H new ATOM 0 HB3 LEU A 91 -17.845 -10.754 27.040 1.00 43.44 H new ATOM 0 HG LEU A 91 -14.907 -10.928 26.569 1.00 41.20 H new ATOM 0 HD11 LEU A 91 -15.020 -13.385 26.124 1.00 71.03 H new ATOM 0 HD12 LEU A 91 -15.299 -12.995 27.838 1.00 71.03 H new ATOM 0 HD13 LEU A 91 -16.673 -13.406 26.784 1.00 71.03 H new ATOM 0 HD21 LEU A 91 -15.638 -11.873 24.369 1.00 23.43 H new ATOM 0 HD22 LEU A 91 -17.327 -11.798 24.923 1.00 23.43 H new ATOM 0 HD23 LEU A 91 -16.393 -10.298 24.711 1.00 23.43 H new ATOM 1451 N ASP A 92 -17.648 -8.486 29.724 1.00 44.40 N ATOM 1452 CA ASP A 92 -18.574 -7.714 30.541 1.00 14.42 C ATOM 1453 C ASP A 92 -18.312 -6.207 30.460 1.00 60.35 C ATOM 1454 O ASP A 92 -19.255 -5.439 30.306 1.00 12.02 O ATOM 1455 CB ASP A 92 -18.521 -8.215 32.015 1.00 60.41 C ATOM 1456 CG ASP A 92 -19.607 -7.616 32.907 1.00 15.45 C ATOM 1457 OD1 ASP A 92 -20.806 -7.842 32.599 1.00 44.21 O ATOM 1458 OD2 ASP A 92 -19.240 -6.953 33.910 1.00 63.44 O ATOM 0 H ASP A 92 -17.055 -9.107 30.275 1.00 44.40 H new ATOM 0 HA ASP A 92 -19.577 -7.872 30.145 1.00 14.42 H new ATOM 0 HB2 ASP A 92 -18.614 -9.301 32.024 1.00 60.41 H new ATOM 0 HB3 ASP A 92 -17.545 -7.975 32.436 1.00 60.41 H new ATOM 1463 N ILE A 93 -17.030 -5.751 30.503 1.00 21.22 N ATOM 1464 CA ILE A 93 -16.644 -4.344 30.339 1.00 4.22 C ATOM 1465 C ILE A 93 -17.098 -3.831 28.999 1.00 13.52 C ATOM 1466 O ILE A 93 -17.687 -2.755 28.914 1.00 54.11 O ATOM 1467 CB ILE A 93 -15.130 -4.102 30.387 1.00 31.04 C ATOM 1468 CG1 ILE A 93 -14.520 -4.312 31.789 1.00 23.14 C ATOM 1469 CG2 ILE A 93 -14.751 -2.692 29.865 1.00 30.41 C ATOM 1470 CD1 ILE A 93 -12.980 -4.397 31.800 1.00 31.22 C ATOM 0 H ILE A 93 -16.233 -6.369 30.655 1.00 21.22 H new ATOM 0 HA ILE A 93 -17.117 -3.829 31.176 1.00 4.22 H new ATOM 0 HB ILE A 93 -14.705 -4.856 29.725 1.00 31.04 H new ATOM 0 HG12 ILE A 93 -14.832 -3.492 32.436 1.00 23.14 H new ATOM 0 HG13 ILE A 93 -14.927 -5.228 32.217 1.00 23.14 H new ATOM 0 HG21 ILE A 93 -13.670 -2.563 29.917 1.00 30.41 H new ATOM 0 HG22 ILE A 93 -15.080 -2.586 28.831 1.00 30.41 H new ATOM 0 HG23 ILE A 93 -15.236 -1.934 30.480 1.00 30.41 H new ATOM 0 HD11 ILE A 93 -12.631 -4.545 32.822 1.00 31.22 H new ATOM 0 HD12 ILE A 93 -12.657 -5.235 31.182 1.00 31.22 H new ATOM 0 HD13 ILE A 93 -12.562 -3.472 31.404 1.00 31.22 H new ATOM 1482 N LYS A 94 -16.871 -4.613 27.920 1.00 33.13 N ATOM 1483 CA LYS A 94 -17.232 -4.210 26.583 1.00 42.13 C ATOM 1484 C LYS A 94 -18.697 -3.936 26.457 1.00 43.21 C ATOM 1485 O LYS A 94 -19.104 -2.819 26.168 1.00 53.44 O ATOM 1486 CB LYS A 94 -16.876 -5.349 25.588 1.00 23.04 C ATOM 1487 CG LYS A 94 -17.413 -5.091 24.179 1.00 20.33 C ATOM 1488 CD LYS A 94 -17.158 -6.165 23.120 1.00 60.00 C ATOM 1489 CE LYS A 94 -18.021 -5.778 21.928 1.00 14.51 C ATOM 1490 NZ LYS A 94 -17.488 -6.288 20.658 1.00 23.13 N ATOM 0 H LYS A 94 -16.434 -5.533 27.973 1.00 33.13 H new ATOM 0 HA LYS A 94 -16.681 -3.296 26.360 1.00 42.13 H new ATOM 0 HB2 LYS A 94 -15.793 -5.462 25.544 1.00 23.04 H new ATOM 0 HB3 LYS A 94 -17.280 -6.290 25.960 1.00 23.04 H new ATOM 0 HG2 LYS A 94 -18.490 -4.939 24.252 1.00 20.33 H new ATOM 0 HG3 LYS A 94 -16.983 -4.156 23.821 1.00 20.33 H new ATOM 0 HD2 LYS A 94 -16.104 -6.202 22.845 1.00 60.00 H new ATOM 0 HD3 LYS A 94 -17.425 -7.154 23.493 1.00 60.00 H new ATOM 0 HE2 LYS A 94 -19.031 -6.162 22.075 1.00 14.51 H new ATOM 0 HE3 LYS A 94 -18.097 -4.692 21.876 1.00 14.51 H new ATOM 0 HZ1 LYS A 94 -17.834 -5.698 19.874 1.00 23.13 H new ATOM 0 HZ2 LYS A 94 -16.449 -6.258 20.681 1.00 23.13 H new ATOM 0 HZ3 LYS A 94 -17.803 -7.269 20.518 1.00 23.13 H new ATOM 1504 N HIS A 95 -19.538 -4.920 26.786 1.00 75.13 N ATOM 1505 CA HIS A 95 -20.958 -4.838 26.604 1.00 5.32 C ATOM 1506 C HIS A 95 -21.565 -3.821 27.548 1.00 3.32 C ATOM 1507 O HIS A 95 -22.550 -3.174 27.209 1.00 23.34 O ATOM 1508 CB HIS A 95 -21.581 -6.234 26.759 1.00 40.14 C ATOM 1509 CG HIS A 95 -21.193 -7.137 25.613 1.00 40.14 C ATOM 1510 ND1 HIS A 95 -21.594 -6.876 24.332 1.00 72.45 N ATOM 1511 CD2 HIS A 95 -20.373 -8.212 25.552 1.00 20.21 C ATOM 1512 CE1 HIS A 95 -21.040 -7.755 23.522 1.00 11.13 C ATOM 1513 NE2 HIS A 95 -20.291 -8.573 24.233 1.00 2.12 N ATOM 0 H HIS A 95 -19.229 -5.803 27.192 1.00 75.13 H new ATOM 0 HA HIS A 95 -21.176 -4.489 25.595 1.00 5.32 H new ATOM 0 HB2 HIS A 95 -21.256 -6.677 27.700 1.00 40.14 H new ATOM 0 HB3 HIS A 95 -22.667 -6.147 26.805 1.00 40.14 H new ATOM 0 HD2 HIS A 95 -19.878 -8.693 26.383 1.00 20.21 H new ATOM 0 HE1 HIS A 95 -21.177 -7.798 22.452 1.00 11.13 H new ATOM 0 HE2 HIS A 95 -19.741 -9.348 23.862 1.00 2.12 H new ATOM 1522 N SER A 96 -20.946 -3.616 28.740 1.00 1.05 N ATOM 1523 CA SER A 96 -21.334 -2.564 29.672 1.00 13.24 C ATOM 1524 C SER A 96 -21.064 -1.173 29.115 1.00 23.44 C ATOM 1525 O SER A 96 -21.874 -0.257 29.220 1.00 11.11 O ATOM 1526 CB SER A 96 -20.580 -2.732 31.007 1.00 73.01 C ATOM 1527 OG SER A 96 -21.019 -1.828 32.022 1.00 70.24 O ATOM 0 H SER A 96 -20.165 -4.185 29.067 1.00 1.05 H new ATOM 0 HA SER A 96 -22.408 -2.660 29.833 1.00 13.24 H new ATOM 0 HB2 SER A 96 -20.707 -3.755 31.362 1.00 73.01 H new ATOM 0 HB3 SER A 96 -19.514 -2.584 30.835 1.00 73.01 H new ATOM 0 HG SER A 96 -20.506 -1.984 32.843 1.00 70.24 H new ATOM 1533 N CYS A 97 -19.886 -0.994 28.485 1.00 32.31 N ATOM 1534 CA CYS A 97 -19.490 0.211 27.787 1.00 23.31 C ATOM 1535 C CYS A 97 -20.311 0.527 26.561 1.00 20.02 C ATOM 1536 O CYS A 97 -20.527 1.695 26.254 1.00 23.12 O ATOM 1537 CB CYS A 97 -17.987 0.207 27.426 1.00 73.05 C ATOM 1538 SG CYS A 97 -16.860 0.714 28.750 1.00 63.30 S ATOM 0 H CYS A 97 -19.170 -1.720 28.456 1.00 32.31 H new ATOM 0 HA CYS A 97 -19.687 1.007 28.505 1.00 23.31 H new ATOM 0 HB2 CYS A 97 -17.712 -0.798 27.105 1.00 73.05 H new ATOM 0 HB3 CYS A 97 -17.835 0.867 26.572 1.00 73.05 H new ATOM 1543 N GLU A 98 -20.823 -0.491 25.833 1.00 12.10 N ATOM 1544 CA GLU A 98 -21.571 -0.320 24.591 1.00 51.01 C ATOM 1545 C GLU A 98 -22.836 0.493 24.814 1.00 23.41 C ATOM 1546 O GLU A 98 -23.330 1.181 23.928 1.00 34.43 O ATOM 1547 CB GLU A 98 -22.030 -1.664 23.972 1.00 70.43 C ATOM 1548 CG GLU A 98 -20.888 -2.613 23.561 1.00 43.25 C ATOM 1549 CD GLU A 98 -21.399 -3.745 22.677 1.00 3.04 C ATOM 1550 OE1 GLU A 98 -20.953 -3.829 21.505 1.00 35.11 O ATOM 1551 OE2 GLU A 98 -22.249 -4.536 23.173 1.00 63.30 O ATOM 0 H GLU A 98 -20.720 -1.468 26.107 1.00 12.10 H new ATOM 0 HA GLU A 98 -20.878 0.186 23.919 1.00 51.01 H new ATOM 0 HB2 GLU A 98 -22.669 -2.178 24.690 1.00 70.43 H new ATOM 0 HB3 GLU A 98 -22.641 -1.453 23.094 1.00 70.43 H new ATOM 0 HG2 GLU A 98 -20.120 -2.052 23.029 1.00 43.25 H new ATOM 0 HG3 GLU A 98 -20.419 -3.029 24.453 1.00 43.25 H new ATOM 1558 N LYS A 99 -23.380 0.382 26.039 1.00 52.33 N ATOM 1559 CA LYS A 99 -24.583 1.005 26.531 1.00 14.10 C ATOM 1560 C LYS A 99 -24.365 2.492 26.704 1.00 2.43 C ATOM 1561 O LYS A 99 -25.246 3.306 26.439 1.00 14.21 O ATOM 1562 CB LYS A 99 -24.926 0.413 27.919 1.00 23.51 C ATOM 1563 CG LYS A 99 -25.203 -1.099 27.921 1.00 65.21 C ATOM 1564 CD LYS A 99 -25.143 -1.691 29.344 1.00 72.41 C ATOM 1565 CE LYS A 99 -26.475 -1.644 30.089 1.00 30.42 C ATOM 1566 NZ LYS A 99 -26.312 -2.232 31.433 1.00 61.21 N ATOM 0 H LYS A 99 -22.940 -0.197 26.755 1.00 52.33 H new ATOM 0 HA LYS A 99 -25.388 0.826 25.818 1.00 14.10 H new ATOM 0 HB2 LYS A 99 -24.101 0.618 28.601 1.00 23.51 H new ATOM 0 HB3 LYS A 99 -25.801 0.930 28.313 1.00 23.51 H new ATOM 0 HG2 LYS A 99 -26.186 -1.289 27.490 1.00 65.21 H new ATOM 0 HG3 LYS A 99 -24.474 -1.603 27.287 1.00 65.21 H new ATOM 0 HD2 LYS A 99 -24.808 -2.727 29.283 1.00 72.41 H new ATOM 0 HD3 LYS A 99 -24.395 -1.148 29.922 1.00 72.41 H new ATOM 0 HE2 LYS A 99 -26.821 -0.614 30.171 1.00 30.42 H new ATOM 0 HE3 LYS A 99 -27.235 -2.192 29.531 1.00 30.42 H new ATOM 0 HZ1 LYS A 99 -27.220 -2.199 31.939 1.00 61.21 H new ATOM 0 HZ2 LYS A 99 -26.001 -3.220 31.344 1.00 61.21 H new ATOM 0 HZ3 LYS A 99 -25.600 -1.691 31.964 1.00 61.21 H new ATOM 1580 N VAL A 100 -23.170 2.853 27.235 1.00 33.52 N ATOM 1581 CA VAL A 100 -22.904 4.175 27.764 1.00 11.01 C ATOM 1582 C VAL A 100 -22.263 5.061 26.721 1.00 65.32 C ATOM 1583 O VAL A 100 -22.429 6.280 26.731 1.00 53.32 O ATOM 1584 CB VAL A 100 -22.045 4.157 29.033 1.00 42.13 C ATOM 1585 CG1 VAL A 100 -22.779 3.310 30.084 1.00 70.13 C ATOM 1586 CG2 VAL A 100 -20.617 3.645 28.814 1.00 51.24 C ATOM 0 H VAL A 100 -22.374 2.219 27.299 1.00 33.52 H new ATOM 0 HA VAL A 100 -23.876 4.585 28.040 1.00 11.01 H new ATOM 0 HB VAL A 100 -21.920 5.186 29.371 1.00 42.13 H new ATOM 0 HG11 VAL A 100 -22.191 3.278 31.001 1.00 70.13 H new ATOM 0 HG12 VAL A 100 -23.753 3.753 30.293 1.00 70.13 H new ATOM 0 HG13 VAL A 100 -22.915 2.297 29.705 1.00 70.13 H new ATOM 0 HG21 VAL A 100 -20.075 3.664 29.759 1.00 51.24 H new ATOM 0 HG22 VAL A 100 -20.651 2.624 28.435 1.00 51.24 H new ATOM 0 HG23 VAL A 100 -20.108 4.283 28.092 1.00 51.24 H new ATOM 1596 N ILE A 101 -21.515 4.455 25.775 1.00 42.41 N ATOM 1597 CA ILE A 101 -20.942 5.160 24.643 1.00 43.53 C ATOM 1598 C ILE A 101 -21.962 5.565 23.596 1.00 22.13 C ATOM 1599 O ILE A 101 -23.033 4.980 23.449 1.00 55.33 O ATOM 1600 CB ILE A 101 -19.836 4.392 23.939 1.00 44.34 C ATOM 1601 CG1 ILE A 101 -20.294 3.036 23.352 1.00 13.50 C ATOM 1602 CG2 ILE A 101 -18.642 4.230 24.900 1.00 42.21 C ATOM 1603 CD1 ILE A 101 -19.788 2.808 21.930 1.00 31.34 C ATOM 0 H ILE A 101 -21.299 3.458 25.788 1.00 42.41 H new ATOM 0 HA ILE A 101 -20.523 6.054 25.104 1.00 43.53 H new ATOM 0 HB ILE A 101 -19.530 4.976 23.071 1.00 44.34 H new ATOM 0 HG12 ILE A 101 -19.939 2.229 23.993 1.00 13.50 H new ATOM 0 HG13 ILE A 101 -21.383 2.992 23.357 1.00 13.50 H new ATOM 0 HG21 ILE A 101 -17.845 3.679 24.400 1.00 42.21 H new ATOM 0 HG22 ILE A 101 -18.275 5.214 25.193 1.00 42.21 H new ATOM 0 HG23 ILE A 101 -18.960 3.682 25.787 1.00 42.21 H new ATOM 0 HD11 ILE A 101 -20.140 1.841 21.569 1.00 31.34 H new ATOM 0 HD12 ILE A 101 -20.164 3.597 21.279 1.00 31.34 H new ATOM 0 HD13 ILE A 101 -18.698 2.822 21.925 1.00 31.34 H new ATOM 1615 N THR A 102 -21.620 6.598 22.791 1.00 40.12 N ATOM 1616 CA THR A 102 -22.340 6.859 21.554 1.00 60.24 C ATOM 1617 C THR A 102 -22.079 5.788 20.516 1.00 21.35 C ATOM 1618 O THR A 102 -20.942 5.535 20.115 1.00 55.24 O ATOM 1619 CB THR A 102 -22.056 8.236 20.962 1.00 60.01 C ATOM 1620 OG1 THR A 102 -22.497 9.256 21.849 1.00 23.14 O ATOM 1621 CG2 THR A 102 -22.730 8.448 19.591 1.00 14.35 C ATOM 0 H THR A 102 -20.858 7.248 22.985 1.00 40.12 H new ATOM 0 HA THR A 102 -23.394 6.839 21.830 1.00 60.24 H new ATOM 0 HB THR A 102 -20.977 8.291 20.820 1.00 60.01 H new ATOM 0 HG1 THR A 102 -22.307 10.134 21.458 1.00 23.14 H new ATOM 0 HG21 THR A 102 -22.493 9.445 19.219 1.00 14.35 H new ATOM 0 HG22 THR A 102 -22.364 7.701 18.886 1.00 14.35 H new ATOM 0 HG23 THR A 102 -23.810 8.348 19.697 1.00 14.35 H new ATOM 1629 N ILE A 103 -23.186 5.186 20.039 1.00 53.22 N ATOM 1630 CA ILE A 103 -23.318 4.240 18.975 1.00 2.10 C ATOM 1631 C ILE A 103 -23.884 5.045 17.863 1.00 11.11 C ATOM 1632 O ILE A 103 -24.844 5.794 18.043 1.00 3.34 O ATOM 1633 CB ILE A 103 -24.273 3.088 19.244 1.00 74.51 C ATOM 1634 CG1 ILE A 103 -23.763 2.261 20.443 1.00 2.11 C ATOM 1635 CG2 ILE A 103 -24.558 2.257 17.957 1.00 15.11 C ATOM 1636 CD1 ILE A 103 -24.654 1.064 20.747 1.00 32.05 C ATOM 0 H ILE A 103 -24.095 5.391 20.453 1.00 53.22 H new ATOM 0 HA ILE A 103 -22.351 3.770 18.794 1.00 2.10 H new ATOM 0 HB ILE A 103 -25.249 3.480 19.528 1.00 74.51 H new ATOM 0 HG12 ILE A 103 -22.751 1.913 20.236 1.00 2.11 H new ATOM 0 HG13 ILE A 103 -23.706 2.901 21.324 1.00 2.11 H new ATOM 0 HG21 ILE A 103 -25.245 1.444 18.193 1.00 15.11 H new ATOM 0 HG22 ILE A 103 -25.005 2.901 17.200 1.00 15.11 H new ATOM 0 HG23 ILE A 103 -23.624 1.844 17.576 1.00 15.11 H new ATOM 0 HD11 ILE A 103 -24.250 0.517 21.599 1.00 32.05 H new ATOM 0 HD12 ILE A 103 -25.660 1.410 20.982 1.00 32.05 H new ATOM 0 HD13 ILE A 103 -24.690 0.407 19.878 1.00 32.05 H new ATOM 1648 N VAL A 104 -23.287 4.911 16.679 1.00 5.31 N ATOM 1649 CA VAL A 104 -23.759 5.638 15.545 1.00 34.22 C ATOM 1650 C VAL A 104 -24.289 4.613 14.571 1.00 43.43 C ATOM 1651 O VAL A 104 -23.606 3.669 14.183 1.00 2.23 O ATOM 1652 CB VAL A 104 -22.682 6.380 14.845 1.00 40.31 C ATOM 1653 CG1 VAL A 104 -23.209 7.273 13.766 1.00 53.24 C ATOM 1654 CG2 VAL A 104 -21.736 7.154 15.751 1.00 20.32 C ATOM 0 H VAL A 104 -22.485 4.307 16.500 1.00 5.31 H new ATOM 0 HA VAL A 104 -24.501 6.361 15.884 1.00 34.22 H new ATOM 0 HB VAL A 104 -22.085 5.588 14.392 1.00 40.31 H new ATOM 0 HG11 VAL A 104 -22.380 7.792 13.286 1.00 53.24 H new ATOM 0 HG12 VAL A 104 -23.740 6.675 13.025 1.00 53.24 H new ATOM 0 HG13 VAL A 104 -23.892 8.003 14.200 1.00 53.24 H new ATOM 0 HG21 VAL A 104 -20.986 7.661 15.145 1.00 20.32 H new ATOM 0 HG22 VAL A 104 -22.301 7.891 16.322 1.00 20.32 H new ATOM 0 HG23 VAL A 104 -21.243 6.465 16.436 1.00 20.32 H new ATOM 1664 N ALA A 105 -25.529 4.817 14.125 1.00 74.35 N ATOM 1665 CA ALA A 105 -26.163 4.050 13.078 1.00 71.24 C ATOM 1666 C ALA A 105 -25.499 4.160 11.719 1.00 34.52 C ATOM 1667 O ALA A 105 -25.276 3.176 11.020 1.00 55.43 O ATOM 1668 CB ALA A 105 -27.621 4.501 12.969 1.00 72.52 C ATOM 0 H ALA A 105 -26.131 5.548 14.503 1.00 74.35 H new ATOM 0 HA ALA A 105 -26.074 3.001 13.361 1.00 71.24 H new ATOM 0 HB1 ALA A 105 -28.120 3.934 12.183 1.00 72.52 H new ATOM 0 HB2 ALA A 105 -28.127 4.328 13.919 1.00 72.52 H new ATOM 0 HB3 ALA A 105 -27.656 5.563 12.728 1.00 72.52 H new ATOM 1674 N ASP A 106 -25.149 5.406 11.346 1.00 4.41 N ATOM 1675 CA ASP A 106 -24.404 5.767 10.163 1.00 70.14 C ATOM 1676 C ASP A 106 -22.984 5.206 10.164 1.00 61.44 C ATOM 1677 O ASP A 106 -22.456 4.848 9.116 1.00 3.30 O ATOM 1678 CB ASP A 106 -24.415 7.319 10.013 1.00 11.23 C ATOM 1679 CG ASP A 106 -23.812 7.806 8.694 1.00 74.40 C ATOM 1680 OD1 ASP A 106 -22.759 8.491 8.756 1.00 62.11 O ATOM 1681 OD2 ASP A 106 -24.418 7.518 7.631 1.00 35.10 O ATOM 0 H ASP A 106 -25.401 6.221 11.906 1.00 4.41 H new ATOM 0 HA ASP A 106 -24.890 5.316 9.298 1.00 70.14 H new ATOM 0 HB2 ASP A 106 -25.442 7.677 10.088 1.00 11.23 H new ATOM 0 HB3 ASP A 106 -23.862 7.761 10.842 1.00 11.23 H new ATOM 1686 N ASP A 107 -22.316 5.206 11.336 1.00 4.51 N ATOM 1687 CA ASP A 107 -20.867 5.110 11.382 1.00 53.30 C ATOM 1688 C ASP A 107 -20.423 4.045 12.388 1.00 50.25 C ATOM 1689 O ASP A 107 -20.306 4.375 13.568 1.00 22.50 O ATOM 1690 CB ASP A 107 -20.254 6.487 11.775 1.00 72.42 C ATOM 1691 CG ASP A 107 -18.743 6.507 11.614 1.00 31.45 C ATOM 1692 OD1 ASP A 107 -18.266 6.353 10.462 1.00 54.34 O ATOM 1693 OD2 ASP A 107 -18.052 6.618 12.659 1.00 62.12 O ATOM 0 H ASP A 107 -22.765 5.271 12.250 1.00 4.51 H new ATOM 0 HA ASP A 107 -20.513 4.823 10.392 1.00 53.30 H new ATOM 0 HB2 ASP A 107 -20.694 7.269 11.157 1.00 72.42 H new ATOM 0 HB3 ASP A 107 -20.511 6.716 12.809 1.00 72.42 H new ATOM 1698 N PRO A 108 -20.089 2.807 12.046 1.00 71.11 N ATOM 1699 CA PRO A 108 -19.628 1.822 13.024 1.00 31.01 C ATOM 1700 C PRO A 108 -18.252 2.148 13.591 1.00 25.01 C ATOM 1701 O PRO A 108 -17.850 1.530 14.578 1.00 32.41 O ATOM 1702 CB PRO A 108 -19.623 0.509 12.225 1.00 10.01 C ATOM 1703 CG PRO A 108 -19.379 0.945 10.777 1.00 74.31 C ATOM 1704 CD PRO A 108 -20.166 2.253 10.690 1.00 22.02 C ATOM 0 HA PRO A 108 -20.267 1.786 13.906 1.00 31.01 H new ATOM 0 HB2 PRO A 108 -18.841 -0.165 12.574 1.00 10.01 H new ATOM 0 HB3 PRO A 108 -20.570 -0.021 12.326 1.00 10.01 H new ATOM 0 HG2 PRO A 108 -18.319 1.094 10.571 1.00 74.31 H new ATOM 0 HG3 PRO A 108 -19.741 0.205 10.063 1.00 74.31 H new ATOM 0 HD2 PRO A 108 -19.731 2.932 9.957 1.00 22.02 H new ATOM 0 HD3 PRO A 108 -21.199 2.078 10.389 1.00 22.02 H new ATOM 1712 N CYS A 109 -17.503 3.087 12.967 1.00 32.13 N ATOM 1713 CA CYS A 109 -16.155 3.457 13.340 1.00 64.44 C ATOM 1714 C CYS A 109 -16.140 4.170 14.686 1.00 23.21 C ATOM 1715 O CYS A 109 -15.375 3.818 15.580 1.00 55.35 O ATOM 1716 CB CYS A 109 -15.521 4.350 12.242 1.00 41.40 C ATOM 1717 SG CYS A 109 -15.453 3.516 10.618 1.00 32.22 S ATOM 0 H CYS A 109 -17.850 3.614 12.166 1.00 32.13 H new ATOM 0 HA CYS A 109 -15.563 2.547 13.435 1.00 64.44 H new ATOM 0 HB2 CYS A 109 -16.096 5.271 12.150 1.00 41.40 H new ATOM 0 HB3 CYS A 109 -14.513 4.632 12.545 1.00 41.40 H new ATOM 1722 N GLN A 110 -17.067 5.139 14.898 1.00 64.15 N ATOM 1723 CA GLN A 110 -17.339 5.746 16.192 1.00 1.13 C ATOM 1724 C GLN A 110 -17.805 4.744 17.215 1.00 71.40 C ATOM 1725 O GLN A 110 -17.271 4.732 18.317 1.00 65.11 O ATOM 1726 CB GLN A 110 -18.405 6.874 16.094 1.00 33.44 C ATOM 1727 CG GLN A 110 -17.888 8.318 16.305 1.00 1.13 C ATOM 1728 CD GLN A 110 -17.250 8.907 15.056 1.00 70.01 C ATOM 1729 OE1 GLN A 110 -17.668 9.949 14.547 1.00 74.43 O ATOM 1730 NE2 GLN A 110 -16.227 8.199 14.528 1.00 42.42 N ATOM 0 H GLN A 110 -17.648 5.516 14.149 1.00 64.15 H new ATOM 0 HA GLN A 110 -16.387 6.167 16.514 1.00 1.13 H new ATOM 0 HB2 GLN A 110 -18.875 6.818 15.112 1.00 33.44 H new ATOM 0 HB3 GLN A 110 -19.183 6.677 16.832 1.00 33.44 H new ATOM 0 HG2 GLN A 110 -18.717 8.953 16.617 1.00 1.13 H new ATOM 0 HG3 GLN A 110 -17.159 8.323 17.116 1.00 1.13 H new ATOM 0 HE21 GLN A 110 -15.913 7.341 14.982 1.00 42.42 H new ATOM 0 HE22 GLN A 110 -15.769 8.522 13.676 1.00 42.42 H new ATOM 1739 N THR A 111 -18.747 3.837 16.868 1.00 73.15 N ATOM 1740 CA THR A 111 -19.195 2.803 17.804 1.00 71.14 C ATOM 1741 C THR A 111 -18.049 1.924 18.310 1.00 44.33 C ATOM 1742 O THR A 111 -17.924 1.736 19.517 1.00 12.21 O ATOM 1743 CB THR A 111 -20.248 1.877 17.217 1.00 35.42 C ATOM 1744 OG1 THR A 111 -21.367 2.627 16.764 1.00 33.44 O ATOM 1745 CG2 THR A 111 -20.742 0.860 18.277 1.00 32.42 C ATOM 0 H THR A 111 -19.202 3.807 15.955 1.00 73.15 H new ATOM 0 HA THR A 111 -19.625 3.371 18.629 1.00 71.14 H new ATOM 0 HB THR A 111 -19.790 1.344 16.384 1.00 35.42 H new ATOM 0 HG1 THR A 111 -21.878 2.095 16.119 1.00 33.44 H new ATOM 0 HG21 THR A 111 -21.495 0.209 17.833 1.00 32.42 H new ATOM 0 HG22 THR A 111 -19.901 0.259 18.624 1.00 32.42 H new ATOM 0 HG23 THR A 111 -21.178 1.396 19.120 1.00 32.42 H new ATOM 1753 N MET A 112 -17.133 1.417 17.447 1.00 51.21 N ATOM 1754 CA MET A 112 -15.924 0.775 17.917 1.00 53.15 C ATOM 1755 C MET A 112 -14.900 1.639 18.640 1.00 72.24 C ATOM 1756 O MET A 112 -14.427 1.251 19.703 1.00 72.22 O ATOM 1757 CB MET A 112 -15.243 0.004 16.762 1.00 75.23 C ATOM 1758 CG MET A 112 -15.530 -1.511 16.793 1.00 5.44 C ATOM 1759 SD MET A 112 -14.860 -2.338 18.275 1.00 33.14 S ATOM 1760 CE MET A 112 -15.098 -4.038 17.686 1.00 44.03 C ATOM 0 H MET A 112 -17.226 1.450 16.432 1.00 51.21 H new ATOM 0 HA MET A 112 -16.287 0.105 18.697 1.00 53.15 H new ATOM 0 HB2 MET A 112 -15.583 0.413 15.810 1.00 75.23 H new ATOM 0 HB3 MET A 112 -14.166 0.165 16.811 1.00 75.23 H new ATOM 0 HG2 MET A 112 -16.607 -1.671 16.751 1.00 5.44 H new ATOM 0 HG3 MET A 112 -15.104 -1.973 15.903 1.00 5.44 H new ATOM 0 HE1 MET A 112 -14.751 -4.738 18.446 1.00 44.03 H new ATOM 0 HE2 MET A 112 -16.156 -4.210 17.490 1.00 44.03 H new ATOM 0 HE3 MET A 112 -14.530 -4.188 16.768 1.00 44.03 H new ATOM 1770 N LEU A 113 -14.533 2.835 18.128 1.00 24.32 N ATOM 1771 CA LEU A 113 -13.536 3.702 18.757 1.00 11.54 C ATOM 1772 C LEU A 113 -13.991 4.240 20.096 1.00 32.25 C ATOM 1773 O LEU A 113 -13.255 4.181 21.081 1.00 23.34 O ATOM 1774 CB LEU A 113 -13.209 4.846 17.782 1.00 1.50 C ATOM 1775 CG LEU A 113 -11.920 5.700 17.914 1.00 53.02 C ATOM 1776 CD1 LEU A 113 -12.148 7.097 17.300 1.00 31.22 C ATOM 1777 CD2 LEU A 113 -11.129 5.731 19.227 1.00 42.53 C ATOM 0 H LEU A 113 -14.925 3.218 17.267 1.00 24.32 H new ATOM 0 HA LEU A 113 -12.642 3.113 18.965 1.00 11.54 H new ATOM 0 HB2 LEU A 113 -13.197 4.412 16.782 1.00 1.50 H new ATOM 0 HB3 LEU A 113 -14.050 5.539 17.818 1.00 1.50 H new ATOM 0 HG LEU A 113 -11.203 5.118 17.335 1.00 53.02 H new ATOM 0 HD11 LEU A 113 -11.238 7.690 17.397 1.00 31.22 H new ATOM 0 HD12 LEU A 113 -12.403 6.994 16.245 1.00 31.22 H new ATOM 0 HD13 LEU A 113 -12.964 7.596 17.823 1.00 31.22 H new ATOM 0 HD21 LEU A 113 -10.264 6.384 19.115 1.00 42.53 H new ATOM 0 HD22 LEU A 113 -11.767 6.107 20.027 1.00 42.53 H new ATOM 0 HD23 LEU A 113 -10.793 4.724 19.473 1.00 42.53 H new ATOM 1789 N ASN A 114 -15.261 4.710 20.182 1.00 32.51 N ATOM 1790 CA ASN A 114 -15.856 5.220 21.410 1.00 13.45 C ATOM 1791 C ASN A 114 -15.916 4.107 22.441 1.00 22.42 C ATOM 1792 O ASN A 114 -15.615 4.309 23.616 1.00 71.24 O ATOM 1793 CB ASN A 114 -17.306 5.753 21.257 1.00 35.42 C ATOM 1794 CG ASN A 114 -17.360 7.033 20.427 1.00 54.23 C ATOM 1795 OD1 ASN A 114 -16.387 7.769 20.257 1.00 65.41 O ATOM 1796 ND2 ASN A 114 -18.578 7.313 19.891 1.00 14.11 N ATOM 0 H ASN A 114 -15.895 4.739 19.383 1.00 32.51 H new ATOM 0 HA ASN A 114 -15.219 6.054 21.706 1.00 13.45 H new ATOM 0 HB2 ASN A 114 -17.925 4.989 20.786 1.00 35.42 H new ATOM 0 HB3 ASN A 114 -17.729 5.943 22.244 1.00 35.42 H new ATOM 0 HD21 ASN A 114 -18.707 8.154 19.329 1.00 14.11 H new ATOM 0 HD22 ASN A 114 -19.363 6.682 20.051 1.00 14.11 H new ATOM 1803 N LEU A 115 -16.282 2.877 22.007 1.00 45.42 N ATOM 1804 CA LEU A 115 -16.272 1.714 22.862 1.00 2.41 C ATOM 1805 C LEU A 115 -14.897 1.365 23.339 1.00 51.12 C ATOM 1806 O LEU A 115 -14.689 1.119 24.519 1.00 14.54 O ATOM 1807 CB LEU A 115 -16.849 0.481 22.138 1.00 33.01 C ATOM 1808 CG LEU A 115 -16.884 -0.815 22.964 1.00 72.51 C ATOM 1809 CD1 LEU A 115 -15.585 -1.625 22.966 1.00 1.23 C ATOM 1810 CD2 LEU A 115 -17.479 -0.600 24.347 1.00 60.33 C ATOM 0 H LEU A 115 -16.588 2.686 21.053 1.00 45.42 H new ATOM 0 HA LEU A 115 -16.892 1.976 23.719 1.00 2.41 H new ATOM 0 HB2 LEU A 115 -17.864 0.713 21.815 1.00 33.01 H new ATOM 0 HB3 LEU A 115 -16.261 0.302 21.238 1.00 33.01 H new ATOM 0 HG LEU A 115 -17.573 -1.468 22.428 1.00 72.51 H new ATOM 0 HD11 LEU A 115 -15.714 -2.519 23.577 1.00 1.23 H new ATOM 0 HD12 LEU A 115 -15.336 -1.916 21.945 1.00 1.23 H new ATOM 0 HD13 LEU A 115 -14.778 -1.018 23.377 1.00 1.23 H new ATOM 0 HD21 LEU A 115 -17.482 -1.544 24.892 1.00 60.33 H new ATOM 0 HD22 LEU A 115 -16.881 0.131 24.891 1.00 60.33 H new ATOM 0 HD23 LEU A 115 -18.501 -0.233 24.250 1.00 60.33 H new ATOM 1822 N ALA A 116 -13.920 1.346 22.422 1.00 41.44 N ATOM 1823 CA ALA A 116 -12.560 0.920 22.678 1.00 61.55 C ATOM 1824 C ALA A 116 -11.887 1.829 23.670 1.00 65.40 C ATOM 1825 O ALA A 116 -11.208 1.377 24.593 1.00 31.15 O ATOM 1826 CB ALA A 116 -11.727 0.868 21.383 1.00 71.33 C ATOM 0 H ALA A 116 -14.071 1.638 21.456 1.00 41.44 H new ATOM 0 HA ALA A 116 -12.617 -0.086 23.094 1.00 61.55 H new ATOM 0 HB1 ALA A 116 -10.713 0.544 21.616 1.00 71.33 H new ATOM 0 HB2 ALA A 116 -12.182 0.164 20.686 1.00 71.33 H new ATOM 0 HB3 ALA A 116 -11.697 1.859 20.930 1.00 71.33 H new ATOM 1832 N MET A 117 -12.119 3.154 23.514 1.00 13.23 N ATOM 1833 CA MET A 117 -11.631 4.128 24.452 1.00 64.22 C ATOM 1834 C MET A 117 -12.338 4.000 25.820 1.00 2.52 C ATOM 1835 O MET A 117 -11.703 4.227 26.846 1.00 72.11 O ATOM 1836 CB MET A 117 -11.695 5.579 23.846 1.00 1.32 C ATOM 1837 CG MET A 117 -13.077 6.251 23.792 1.00 13.05 C ATOM 1838 SD MET A 117 -13.072 8.030 23.382 1.00 71.13 S ATOM 1839 CE MET A 117 -12.503 7.953 21.663 1.00 72.04 C ATOM 0 H MET A 117 -12.646 3.550 22.736 1.00 13.23 H new ATOM 0 HA MET A 117 -10.577 3.925 24.643 1.00 64.22 H new ATOM 0 HB2 MET A 117 -11.030 6.218 24.426 1.00 1.32 H new ATOM 0 HB3 MET A 117 -11.297 5.541 22.832 1.00 1.32 H new ATOM 0 HG2 MET A 117 -13.687 5.728 23.055 1.00 13.05 H new ATOM 0 HG3 MET A 117 -13.563 6.120 24.759 1.00 13.05 H new ATOM 0 HE1 MET A 117 -12.425 8.963 21.260 1.00 72.04 H new ATOM 0 HE2 MET A 117 -11.526 7.471 21.624 1.00 72.04 H new ATOM 0 HE3 MET A 117 -13.215 7.379 21.069 1.00 72.04 H new ATOM 1849 N CYS A 118 -13.642 3.582 25.887 1.00 73.24 N ATOM 1850 CA CYS A 118 -14.326 3.218 27.147 1.00 72.24 C ATOM 1851 C CYS A 118 -13.831 1.912 27.757 1.00 64.30 C ATOM 1852 O CYS A 118 -13.533 1.838 28.947 1.00 0.24 O ATOM 1853 CB CYS A 118 -15.875 3.109 26.981 1.00 0.11 C ATOM 1854 SG CYS A 118 -16.855 2.751 28.504 1.00 43.32 S ATOM 0 H CYS A 118 -14.237 3.492 25.063 1.00 73.24 H new ATOM 0 HA CYS A 118 -14.079 4.039 27.820 1.00 72.24 H new ATOM 0 HB2 CYS A 118 -16.237 4.045 26.557 1.00 0.11 H new ATOM 0 HB3 CYS A 118 -16.084 2.327 26.251 1.00 0.11 H new ATOM 1859 N PHE A 119 -13.692 0.844 26.943 1.00 14.21 N ATOM 1860 CA PHE A 119 -13.153 -0.441 27.353 1.00 33.35 C ATOM 1861 C PHE A 119 -11.773 -0.387 27.970 1.00 40.23 C ATOM 1862 O PHE A 119 -11.541 -0.942 29.046 1.00 35.21 O ATOM 1863 CB PHE A 119 -13.128 -1.339 26.094 1.00 2.41 C ATOM 1864 CG PHE A 119 -12.458 -2.678 26.273 1.00 4.44 C ATOM 1865 CD1 PHE A 119 -11.094 -2.777 25.939 1.00 13.01 C ATOM 1866 CD2 PHE A 119 -13.107 -3.790 26.826 1.00 54.20 C ATOM 1867 CE1 PHE A 119 -10.385 -3.958 26.171 1.00 11.53 C ATOM 1868 CE2 PHE A 119 -12.394 -4.973 27.060 1.00 70.22 C ATOM 1869 CZ PHE A 119 -11.036 -5.057 26.739 1.00 62.31 C ATOM 0 H PHE A 119 -13.963 0.867 25.960 1.00 14.21 H new ATOM 0 HA PHE A 119 -13.793 -0.831 28.144 1.00 33.35 H new ATOM 0 HB2 PHE A 119 -14.154 -1.505 25.766 1.00 2.41 H new ATOM 0 HB3 PHE A 119 -12.620 -0.801 25.294 1.00 2.41 H new ATOM 0 HD1 PHE A 119 -10.590 -1.930 25.498 1.00 13.01 H new ATOM 0 HD2 PHE A 119 -14.157 -3.735 27.072 1.00 54.20 H new ATOM 0 HE1 PHE A 119 -9.338 -4.022 25.913 1.00 11.53 H new ATOM 0 HE2 PHE A 119 -12.897 -5.826 27.491 1.00 70.22 H new ATOM 0 HZ PHE A 119 -10.491 -5.970 26.930 1.00 62.31 H new ATOM 1879 N LYS A 120 -10.827 0.318 27.319 1.00 24.21 N ATOM 1880 CA LYS A 120 -9.497 0.504 27.824 1.00 10.33 C ATOM 1881 C LYS A 120 -9.481 1.291 29.118 1.00 15.31 C ATOM 1882 O LYS A 120 -8.625 1.098 29.980 1.00 2.52 O ATOM 1883 CB LYS A 120 -8.643 1.170 26.720 1.00 34.44 C ATOM 1884 CG LYS A 120 -7.183 1.491 27.077 1.00 2.30 C ATOM 1885 CD LYS A 120 -6.297 0.293 27.449 1.00 41.13 C ATOM 1886 CE LYS A 120 -4.850 0.707 27.722 1.00 54.32 C ATOM 1887 NZ LYS A 120 -4.060 -0.466 28.144 1.00 42.02 N ATOM 0 H LYS A 120 -10.990 0.770 26.419 1.00 24.21 H new ATOM 0 HA LYS A 120 -9.067 -0.466 28.074 1.00 10.33 H new ATOM 0 HB2 LYS A 120 -8.644 0.516 25.848 1.00 34.44 H new ATOM 0 HB3 LYS A 120 -9.133 2.098 26.424 1.00 34.44 H new ATOM 0 HG2 LYS A 120 -6.728 2.004 26.230 1.00 2.30 H new ATOM 0 HG3 LYS A 120 -7.181 2.191 27.912 1.00 2.30 H new ATOM 0 HD2 LYS A 120 -6.705 -0.198 28.332 1.00 41.13 H new ATOM 0 HD3 LYS A 120 -6.318 -0.437 26.640 1.00 41.13 H new ATOM 0 HE2 LYS A 120 -4.413 1.146 26.825 1.00 54.32 H new ATOM 0 HE3 LYS A 120 -4.822 1.472 28.498 1.00 54.32 H new ATOM 0 HZ1 LYS A 120 -3.078 -0.176 28.327 1.00 42.02 H new ATOM 0 HZ2 LYS A 120 -4.470 -0.867 29.011 1.00 42.02 H new ATOM 0 HZ3 LYS A 120 -4.074 -1.183 27.391 1.00 42.02 H new ATOM 1901 N ALA A 121 -10.475 2.187 29.288 1.00 3.04 N ATOM 1902 CA ALA A 121 -10.608 3.018 30.471 1.00 12.42 C ATOM 1903 C ALA A 121 -10.811 2.185 31.730 1.00 35.55 C ATOM 1904 O ALA A 121 -10.211 2.419 32.777 1.00 74.34 O ATOM 1905 CB ALA A 121 -11.796 3.987 30.295 1.00 14.20 C ATOM 0 H ALA A 121 -11.206 2.345 28.595 1.00 3.04 H new ATOM 0 HA ALA A 121 -9.681 3.579 30.588 1.00 12.42 H new ATOM 0 HB1 ALA A 121 -11.893 4.609 31.185 1.00 14.20 H new ATOM 0 HB2 ALA A 121 -11.622 4.621 29.426 1.00 14.20 H new ATOM 0 HB3 ALA A 121 -12.713 3.416 30.150 1.00 14.20 H new ATOM 1911 N GLU A 122 -11.673 1.155 31.620 1.00 31.42 N ATOM 1912 CA GLU A 122 -11.947 0.185 32.647 1.00 71.13 C ATOM 1913 C GLU A 122 -10.777 -0.752 32.973 1.00 12.44 C ATOM 1914 O GLU A 122 -10.441 -0.897 34.139 1.00 22.31 O ATOM 1915 CB GLU A 122 -13.219 -0.584 32.219 1.00 24.34 C ATOM 1916 CG GLU A 122 -14.515 0.275 32.262 1.00 74.55 C ATOM 1917 CD GLU A 122 -14.940 0.670 33.677 1.00 41.54 C ATOM 1918 OE1 GLU A 122 -14.994 1.896 33.954 1.00 74.04 O ATOM 1919 OE2 GLU A 122 -15.231 -0.254 34.481 1.00 14.53 O ATOM 0 H GLU A 122 -12.210 0.987 30.769 1.00 31.42 H new ATOM 0 HA GLU A 122 -12.105 0.710 33.589 1.00 71.13 H new ATOM 0 HB2 GLU A 122 -13.079 -0.964 31.207 1.00 24.34 H new ATOM 0 HB3 GLU A 122 -13.346 -1.449 32.870 1.00 24.34 H new ATOM 0 HG2 GLU A 122 -14.362 1.179 31.672 1.00 74.55 H new ATOM 0 HG3 GLU A 122 -15.325 -0.281 31.790 1.00 74.55 H new ATOM 1926 N ILE A 123 -10.045 -1.363 32.006 1.00 70.33 N ATOM 1927 CA ILE A 123 -8.840 -2.127 32.295 1.00 2.41 C ATOM 1928 C ILE A 123 -7.662 -1.328 32.817 1.00 22.24 C ATOM 1929 O ILE A 123 -6.795 -1.882 33.486 1.00 74.51 O ATOM 1930 CB ILE A 123 -8.433 -3.006 31.128 1.00 72.35 C ATOM 1931 CG1 ILE A 123 -8.126 -2.174 29.882 1.00 11.24 C ATOM 1932 CG2 ILE A 123 -9.550 -4.024 30.834 1.00 74.51 C ATOM 1933 CD1 ILE A 123 -7.649 -2.949 28.658 1.00 52.33 C ATOM 0 H ILE A 123 -10.286 -1.330 31.015 1.00 70.33 H new ATOM 0 HA ILE A 123 -9.132 -2.761 33.132 1.00 2.41 H new ATOM 0 HB ILE A 123 -7.521 -3.538 31.400 1.00 72.35 H new ATOM 0 HG12 ILE A 123 -9.025 -1.621 29.609 1.00 11.24 H new ATOM 0 HG13 ILE A 123 -7.365 -1.438 30.140 1.00 11.24 H new ATOM 0 HG21 ILE A 123 -9.256 -4.655 29.995 1.00 74.51 H new ATOM 0 HG22 ILE A 123 -9.717 -4.645 31.714 1.00 74.51 H new ATOM 0 HG23 ILE A 123 -10.469 -3.494 30.584 1.00 74.51 H new ATOM 0 HD11 ILE A 123 -7.463 -2.255 27.838 1.00 52.33 H new ATOM 0 HD12 ILE A 123 -6.728 -3.480 28.900 1.00 52.33 H new ATOM 0 HD13 ILE A 123 -8.414 -3.666 28.360 1.00 52.33 H new ATOM 1945 N HIS A 124 -7.624 0.003 32.582 1.00 23.14 N ATOM 1946 CA HIS A 124 -6.689 0.914 33.219 1.00 72.02 C ATOM 1947 C HIS A 124 -6.896 0.966 34.735 1.00 3.41 C ATOM 1948 O HIS A 124 -5.936 1.124 35.489 1.00 63.44 O ATOM 1949 CB HIS A 124 -6.799 2.348 32.624 1.00 41.35 C ATOM 1950 CG HIS A 124 -5.672 3.300 32.956 1.00 30.22 C ATOM 1951 ND1 HIS A 124 -4.982 3.280 34.137 1.00 73.44 N ATOM 1952 CD2 HIS A 124 -5.139 4.295 32.212 1.00 11.03 C ATOM 1953 CE1 HIS A 124 -4.063 4.226 34.114 1.00 74.02 C ATOM 1954 NE2 HIS A 124 -4.138 4.858 32.956 1.00 43.42 N ATOM 0 H HIS A 124 -8.259 0.466 31.932 1.00 23.14 H new ATOM 0 HA HIS A 124 -5.689 0.528 33.020 1.00 72.02 H new ATOM 0 HB2 HIS A 124 -6.867 2.264 31.539 1.00 41.35 H new ATOM 0 HB3 HIS A 124 -7.733 2.791 32.969 1.00 41.35 H new ATOM 0 HD1 HIS A 124 -5.151 2.637 34.911 1.00 73.44 H new ATOM 0 HD2 HIS A 124 -5.445 4.590 31.219 1.00 11.03 H new ATOM 0 HE1 HIS A 124 -3.366 4.447 34.909 1.00 74.02 H new ATOM 1963 N LYS A 125 -8.167 0.914 35.209 1.00 54.41 N ATOM 1964 CA LYS A 125 -8.511 1.078 36.615 1.00 1.31 C ATOM 1965 C LYS A 125 -8.201 -0.162 37.453 1.00 52.50 C ATOM 1966 O LYS A 125 -8.015 -0.092 38.667 1.00 74.34 O ATOM 1967 CB LYS A 125 -10.009 1.481 36.770 1.00 71.13 C ATOM 1968 CG LYS A 125 -11.051 0.367 37.011 1.00 62.23 C ATOM 1969 CD LYS A 125 -12.507 0.811 36.764 1.00 12.33 C ATOM 1970 CE LYS A 125 -12.990 2.029 37.556 1.00 44.13 C ATOM 1971 NZ LYS A 125 -12.995 1.743 39.004 1.00 63.13 N ATOM 0 H LYS A 125 -8.976 0.755 34.609 1.00 54.41 H new ATOM 0 HA LYS A 125 -7.881 1.881 36.998 1.00 1.31 H new ATOM 0 HB2 LYS A 125 -10.079 2.185 37.599 1.00 71.13 H new ATOM 0 HB3 LYS A 125 -10.302 2.020 35.869 1.00 71.13 H new ATOM 0 HG2 LYS A 125 -10.823 -0.477 36.360 1.00 62.23 H new ATOM 0 HG3 LYS A 125 -10.959 0.012 38.037 1.00 62.23 H new ATOM 0 HD2 LYS A 125 -12.623 1.026 35.702 1.00 12.33 H new ATOM 0 HD3 LYS A 125 -13.164 -0.028 36.993 1.00 12.33 H new ATOM 0 HE2 LYS A 125 -12.343 2.882 37.351 1.00 44.13 H new ATOM 0 HE3 LYS A 125 -13.993 2.305 37.232 1.00 44.13 H new ATOM 0 HZ1 LYS A 125 -13.326 2.582 39.522 1.00 63.13 H new ATOM 0 HZ2 LYS A 125 -13.631 0.943 39.198 1.00 63.13 H new ATOM 0 HZ3 LYS A 125 -12.032 1.502 39.314 1.00 63.13 H new ATOM 1985 N LEU A 126 -8.177 -1.340 36.791 1.00 22.10 N ATOM 1986 CA LEU A 126 -8.015 -2.665 37.362 1.00 73.03 C ATOM 1987 C LEU A 126 -6.645 -2.951 37.953 1.00 23.15 C ATOM 1988 O LEU A 126 -5.619 -2.391 37.578 1.00 73.24 O ATOM 1989 CB LEU A 126 -8.353 -3.762 36.313 1.00 54.33 C ATOM 1990 CG LEU A 126 -9.838 -3.759 35.882 1.00 15.15 C ATOM 1991 CD1 LEU A 126 -10.068 -4.526 34.575 1.00 71.32 C ATOM 1992 CD2 LEU A 126 -10.760 -4.318 36.974 1.00 44.23 C ATOM 0 H LEU A 126 -8.278 -1.376 35.777 1.00 22.10 H new ATOM 0 HA LEU A 126 -8.718 -2.688 38.195 1.00 73.03 H new ATOM 0 HB2 LEU A 126 -7.726 -3.619 35.433 1.00 54.33 H new ATOM 0 HB3 LEU A 126 -8.104 -4.739 36.726 1.00 54.33 H new ATOM 0 HG LEU A 126 -10.091 -2.712 35.716 1.00 15.15 H new ATOM 0 HD11 LEU A 126 -11.126 -4.494 34.316 1.00 71.32 H new ATOM 0 HD12 LEU A 126 -9.485 -4.067 33.776 1.00 71.32 H new ATOM 0 HD13 LEU A 126 -9.757 -5.563 34.702 1.00 71.32 H new ATOM 0 HD21 LEU A 126 -11.792 -4.296 36.625 1.00 44.23 H new ATOM 0 HD22 LEU A 126 -10.475 -5.346 37.199 1.00 44.23 H new ATOM 0 HD23 LEU A 126 -10.668 -3.710 37.874 1.00 44.23 H new ATOM 2004 N ASP A 127 -6.624 -3.873 38.943 1.00 70.14 N ATOM 2005 CA ASP A 127 -5.444 -4.248 39.699 1.00 65.42 C ATOM 2006 C ASP A 127 -4.637 -5.340 38.988 1.00 44.03 C ATOM 2007 O ASP A 127 -3.600 -5.772 39.483 1.00 60.55 O ATOM 2008 CB ASP A 127 -5.897 -4.690 41.124 1.00 61.51 C ATOM 2009 CG ASP A 127 -4.744 -4.860 42.115 1.00 20.25 C ATOM 2010 OD1 ASP A 127 -4.608 -5.982 42.667 1.00 35.34 O ATOM 2011 OD2 ASP A 127 -4.027 -3.855 42.354 1.00 13.31 O ATOM 0 H ASP A 127 -7.460 -4.381 39.233 1.00 70.14 H new ATOM 0 HA ASP A 127 -4.774 -3.392 39.781 1.00 65.42 H new ATOM 0 HB2 ASP A 127 -6.596 -3.952 41.518 1.00 61.51 H new ATOM 0 HB3 ASP A 127 -6.439 -5.633 41.046 1.00 61.51 H new ATOM 2016 N TRP A 128 -5.095 -5.804 37.806 1.00 71.52 N ATOM 2017 CA TRP A 128 -4.403 -6.792 37.001 1.00 23.11 C ATOM 2018 C TRP A 128 -4.354 -6.248 35.588 1.00 31.13 C ATOM 2019 O TRP A 128 -5.194 -5.434 35.208 1.00 63.34 O ATOM 2020 CB TRP A 128 -5.105 -8.188 37.013 1.00 44.51 C ATOM 2021 CG TRP A 128 -6.500 -8.173 36.413 1.00 71.35 C ATOM 2022 CD1 TRP A 128 -7.611 -7.596 36.947 1.00 62.20 C ATOM 2023 CD2 TRP A 128 -6.859 -8.615 35.091 1.00 11.31 C ATOM 2024 NE1 TRP A 128 -8.627 -7.577 36.020 1.00 74.23 N ATOM 2025 CE2 TRP A 128 -8.188 -8.197 34.871 1.00 52.22 C ATOM 2026 CE3 TRP A 128 -6.144 -9.290 34.106 1.00 35.12 C ATOM 2027 CZ2 TRP A 128 -8.819 -8.430 33.656 1.00 24.41 C ATOM 2028 CZ3 TRP A 128 -6.794 -9.560 32.893 1.00 73.21 C ATOM 2029 CH2 TRP A 128 -8.106 -9.119 32.661 1.00 74.04 C ATOM 0 H TRP A 128 -5.972 -5.488 37.391 1.00 71.52 H new ATOM 0 HA TRP A 128 -3.407 -6.956 37.413 1.00 23.11 H new ATOM 0 HB2 TRP A 128 -4.490 -8.899 36.462 1.00 44.51 H new ATOM 0 HB3 TRP A 128 -5.165 -8.546 38.041 1.00 44.51 H new ATOM 0 HD1 TRP A 128 -7.684 -7.209 37.953 1.00 62.20 H new ATOM 0 HE1 TRP A 128 -9.552 -7.171 36.160 1.00 74.23 H new ATOM 0 HE3 TRP A 128 -5.121 -9.596 34.271 1.00 35.12 H new ATOM 0 HZ2 TRP A 128 -9.829 -8.091 33.481 1.00 24.41 H new ATOM 0 HZ3 TRP A 128 -6.277 -10.116 32.125 1.00 73.21 H new ATOM 0 HH2 TRP A 128 -8.573 -9.312 31.706 1.00 74.04 H new ATOM 2040 N ALA A 129 -3.365 -6.680 34.778 1.00 74.54 N ATOM 2041 CA ALA A 129 -3.235 -6.218 33.417 1.00 74.30 C ATOM 2042 C ALA A 129 -3.475 -7.349 32.421 1.00 2.33 C ATOM 2043 O ALA A 129 -2.709 -8.315 32.430 1.00 71.22 O ATOM 2044 CB ALA A 129 -1.838 -5.623 33.182 1.00 32.23 C ATOM 0 H ALA A 129 -2.651 -7.351 35.063 1.00 74.54 H new ATOM 0 HA ALA A 129 -3.991 -5.448 33.260 1.00 74.30 H new ATOM 0 HB1 ALA A 129 -1.758 -5.280 32.151 1.00 32.23 H new ATOM 0 HB2 ALA A 129 -1.682 -4.782 33.858 1.00 32.23 H new ATOM 0 HB3 ALA A 129 -1.082 -6.385 33.371 1.00 32.23 H new ATOM 2050 N PRO A 130 -4.475 -7.315 31.534 1.00 4.10 N ATOM 2051 CA PRO A 130 -4.445 -8.074 30.283 1.00 4.44 C ATOM 2052 C PRO A 130 -3.395 -7.467 29.365 1.00 10.32 C ATOM 2053 O PRO A 130 -3.102 -6.275 29.453 1.00 21.41 O ATOM 2054 CB PRO A 130 -5.864 -7.889 29.726 1.00 50.33 C ATOM 2055 CG PRO A 130 -6.309 -6.521 30.252 1.00 31.21 C ATOM 2056 CD PRO A 130 -5.641 -6.425 31.620 1.00 74.33 C ATOM 0 HA PRO A 130 -4.187 -9.127 30.396 1.00 4.44 H new ATOM 0 HB2 PRO A 130 -5.869 -7.916 28.636 1.00 50.33 H new ATOM 0 HB3 PRO A 130 -6.530 -8.681 30.067 1.00 50.33 H new ATOM 0 HG2 PRO A 130 -5.988 -5.715 29.592 1.00 31.21 H new ATOM 0 HG3 PRO A 130 -7.394 -6.456 30.331 1.00 31.21 H new ATOM 0 HD2 PRO A 130 -5.341 -5.401 31.842 1.00 74.33 H new ATOM 0 HD3 PRO A 130 -6.319 -6.738 32.414 1.00 74.33 H new ATOM 2064 N THR A 131 -2.804 -8.275 28.462 1.00 20.14 N ATOM 2065 CA THR A 131 -1.903 -7.781 27.432 1.00 14.21 C ATOM 2066 C THR A 131 -2.776 -7.297 26.297 1.00 11.01 C ATOM 2067 O THR A 131 -3.968 -7.603 26.249 1.00 22.33 O ATOM 2068 CB THR A 131 -0.893 -8.812 26.904 1.00 21.13 C ATOM 2069 OG1 THR A 131 -1.437 -9.837 26.080 1.00 43.51 O ATOM 2070 CG2 THR A 131 -0.310 -9.547 28.117 1.00 34.14 C ATOM 0 H THR A 131 -2.945 -9.285 28.436 1.00 20.14 H new ATOM 0 HA THR A 131 -1.289 -6.995 27.872 1.00 14.21 H new ATOM 0 HB THR A 131 -0.182 -8.242 26.305 1.00 21.13 H new ATOM 0 HG1 THR A 131 -0.720 -10.441 25.793 1.00 43.51 H new ATOM 0 HG21 THR A 131 0.413 -10.289 27.780 1.00 34.14 H new ATOM 0 HG22 THR A 131 0.184 -8.831 28.773 1.00 34.14 H new ATOM 0 HG23 THR A 131 -1.113 -10.044 28.662 1.00 34.14 H new ATOM 2078 N LEU A 132 -2.224 -6.557 25.313 1.00 35.32 N ATOM 2079 CA LEU A 132 -3.010 -6.085 24.187 1.00 52.01 C ATOM 2080 C LEU A 132 -3.574 -7.223 23.353 1.00 45.00 C ATOM 2081 O LEU A 132 -4.681 -7.109 22.840 1.00 13.34 O ATOM 2082 CB LEU A 132 -2.240 -5.098 23.269 1.00 51.30 C ATOM 2083 CG LEU A 132 -1.913 -3.713 23.893 1.00 54.11 C ATOM 2084 CD1 LEU A 132 -3.139 -3.034 24.532 1.00 52.44 C ATOM 2085 CD2 LEU A 132 -0.730 -3.732 24.876 1.00 3.25 C ATOM 0 H LEU A 132 -1.242 -6.282 25.288 1.00 35.32 H new ATOM 0 HA LEU A 132 -3.838 -5.540 24.640 1.00 52.01 H new ATOM 0 HB2 LEU A 132 -1.305 -5.568 22.964 1.00 51.30 H new ATOM 0 HB3 LEU A 132 -2.827 -4.939 22.364 1.00 51.30 H new ATOM 0 HG LEU A 132 -1.603 -3.108 23.041 1.00 54.11 H new ATOM 0 HD11 LEU A 132 -2.845 -2.071 24.950 1.00 52.44 H new ATOM 0 HD12 LEU A 132 -3.907 -2.881 23.774 1.00 52.44 H new ATOM 0 HD13 LEU A 132 -3.534 -3.668 25.325 1.00 52.44 H new ATOM 0 HD21 LEU A 132 -0.566 -2.728 25.267 1.00 3.25 H new ATOM 0 HD22 LEU A 132 -0.952 -4.411 25.700 1.00 3.25 H new ATOM 0 HD23 LEU A 132 0.168 -4.071 24.359 1.00 3.25 H new ATOM 2097 N ASP A 133 -2.868 -8.377 23.260 1.00 12.15 N ATOM 2098 CA ASP A 133 -3.323 -9.546 22.519 1.00 13.31 C ATOM 2099 C ASP A 133 -4.644 -10.102 23.056 1.00 33.14 C ATOM 2100 O ASP A 133 -5.507 -10.497 22.284 1.00 51.32 O ATOM 2101 CB ASP A 133 -2.265 -10.680 22.563 1.00 33.05 C ATOM 2102 CG ASP A 133 -1.015 -10.276 21.796 1.00 4.32 C ATOM 2103 OD1 ASP A 133 0.051 -10.150 22.454 1.00 31.14 O ATOM 2104 OD2 ASP A 133 -1.113 -10.099 20.555 1.00 2.11 O ATOM 0 H ASP A 133 -1.960 -8.508 23.707 1.00 12.15 H new ATOM 0 HA ASP A 133 -3.474 -9.209 21.494 1.00 13.31 H new ATOM 0 HB2 ASP A 133 -2.007 -10.904 23.598 1.00 33.05 H new ATOM 0 HB3 ASP A 133 -2.683 -11.591 22.135 1.00 33.05 H new ATOM 2109 N VAL A 134 -4.815 -10.135 24.391 1.00 54.13 N ATOM 2110 CA VAL A 134 -6.007 -10.599 25.099 1.00 74.43 C ATOM 2111 C VAL A 134 -7.026 -9.501 25.285 1.00 63.20 C ATOM 2112 O VAL A 134 -8.209 -9.710 25.012 1.00 45.43 O ATOM 2113 CB VAL A 134 -5.715 -11.333 26.406 1.00 40.41 C ATOM 2114 CG1 VAL A 134 -4.520 -10.757 27.137 1.00 23.54 C ATOM 2115 CG2 VAL A 134 -6.940 -11.534 27.324 1.00 42.22 C ATOM 0 H VAL A 134 -4.085 -9.822 25.030 1.00 54.13 H new ATOM 0 HA VAL A 134 -6.447 -11.349 24.442 1.00 74.43 H new ATOM 0 HB VAL A 134 -5.444 -12.344 26.100 1.00 40.41 H new ATOM 0 HG11 VAL A 134 -4.355 -11.314 28.059 1.00 23.54 H new ATOM 0 HG12 VAL A 134 -3.636 -10.832 26.504 1.00 23.54 H new ATOM 0 HG13 VAL A 134 -4.709 -9.710 27.374 1.00 23.54 H new ATOM 0 HG21 VAL A 134 -6.635 -12.064 28.227 1.00 42.22 H new ATOM 0 HG22 VAL A 134 -7.354 -10.563 27.595 1.00 42.22 H new ATOM 0 HG23 VAL A 134 -7.696 -12.117 26.799 1.00 42.22 H new ATOM 2125 N ALA A 135 -6.602 -8.282 25.703 1.00 73.52 N ATOM 2126 CA ALA A 135 -7.497 -7.157 25.884 1.00 5.31 C ATOM 2127 C ALA A 135 -8.164 -6.716 24.608 1.00 65.10 C ATOM 2128 O ALA A 135 -9.383 -6.565 24.573 1.00 55.13 O ATOM 2129 CB ALA A 135 -6.754 -5.949 26.480 1.00 63.32 C ATOM 0 H ALA A 135 -5.627 -8.072 25.919 1.00 73.52 H new ATOM 0 HA ALA A 135 -8.268 -7.510 26.569 1.00 5.31 H new ATOM 0 HB1 ALA A 135 -7.450 -5.119 26.605 1.00 63.32 H new ATOM 0 HB2 ALA A 135 -6.336 -6.221 27.449 1.00 63.32 H new ATOM 0 HB3 ALA A 135 -5.949 -5.649 25.809 1.00 63.32 H new ATOM 2135 N VAL A 136 -7.412 -6.554 23.493 1.00 65.55 N ATOM 2136 CA VAL A 136 -8.077 -6.234 22.247 1.00 41.13 C ATOM 2137 C VAL A 136 -8.642 -7.493 21.667 1.00 33.43 C ATOM 2138 O VAL A 136 -9.619 -7.456 20.928 1.00 23.00 O ATOM 2139 CB VAL A 136 -7.239 -5.562 21.166 1.00 71.51 C ATOM 2140 CG1 VAL A 136 -6.391 -4.437 21.782 1.00 31.52 C ATOM 2141 CG2 VAL A 136 -6.478 -6.487 20.195 1.00 44.21 C ATOM 0 H VAL A 136 -6.397 -6.638 23.446 1.00 65.55 H new ATOM 0 HA VAL A 136 -8.828 -5.496 22.528 1.00 41.13 H new ATOM 0 HB VAL A 136 -7.953 -5.116 20.474 1.00 71.51 H new ATOM 0 HG11 VAL A 136 -5.795 -3.962 21.003 1.00 31.52 H new ATOM 0 HG12 VAL A 136 -7.047 -3.696 22.240 1.00 31.52 H new ATOM 0 HG13 VAL A 136 -5.729 -4.854 22.541 1.00 31.52 H new ATOM 0 HG21 VAL A 136 -5.923 -5.883 19.477 1.00 44.21 H new ATOM 0 HG22 VAL A 136 -5.784 -7.113 20.757 1.00 44.21 H new ATOM 0 HG23 VAL A 136 -7.188 -7.120 19.663 1.00 44.21 H new ATOM 2151 N GLY A 137 -8.023 -8.660 21.970 1.00 71.12 N ATOM 2152 CA GLY A 137 -8.449 -9.906 21.367 1.00 34.44 C ATOM 2153 C GLY A 137 -9.849 -10.297 21.716 1.00 54.33 C ATOM 2154 O GLY A 137 -10.588 -10.712 20.834 1.00 41.25 O ATOM 0 H GLY A 137 -7.241 -8.745 22.620 1.00 71.12 H new ATOM 0 HA2 GLY A 137 -8.364 -9.822 20.284 1.00 34.44 H new ATOM 0 HA3 GLY A 137 -7.771 -10.700 21.679 1.00 34.44 H new ATOM 2158 N GLU A 138 -10.278 -10.150 22.993 1.00 45.54 N ATOM 2159 CA GLU A 138 -11.664 -10.407 23.359 1.00 62.32 C ATOM 2160 C GLU A 138 -12.652 -9.441 22.712 1.00 71.51 C ATOM 2161 O GLU A 138 -13.742 -9.855 22.316 1.00 31.01 O ATOM 2162 CB GLU A 138 -11.898 -10.453 24.890 1.00 52.04 C ATOM 2163 CG GLU A 138 -11.034 -11.567 25.518 1.00 63.53 C ATOM 2164 CD GLU A 138 -11.612 -12.118 26.813 1.00 32.24 C ATOM 2165 OE1 GLU A 138 -11.016 -11.847 27.881 1.00 61.43 O ATOM 2166 OE2 GLU A 138 -12.600 -12.891 26.718 1.00 1.30 O ATOM 0 H GLU A 138 -9.682 -9.858 23.767 1.00 45.54 H new ATOM 0 HA GLU A 138 -11.859 -11.402 22.960 1.00 62.32 H new ATOM 0 HB2 GLU A 138 -11.646 -9.490 25.335 1.00 52.04 H new ATOM 0 HB3 GLU A 138 -12.952 -10.635 25.101 1.00 52.04 H new ATOM 0 HG2 GLU A 138 -10.926 -12.381 24.801 1.00 63.53 H new ATOM 0 HG3 GLU A 138 -10.035 -11.177 25.711 1.00 63.53 H new ATOM 2173 N LEU A 139 -12.285 -8.140 22.546 1.00 55.50 N ATOM 2174 CA LEU A 139 -13.069 -7.172 21.799 1.00 72.45 C ATOM 2175 C LEU A 139 -13.214 -7.530 20.365 1.00 41.14 C ATOM 2176 O LEU A 139 -14.317 -7.588 19.824 1.00 55.41 O ATOM 2177 CB LEU A 139 -12.372 -5.806 21.665 1.00 33.15 C ATOM 2178 CG LEU A 139 -12.340 -4.912 22.873 1.00 14.34 C ATOM 2179 CD1 LEU A 139 -11.378 -3.765 22.537 1.00 55.12 C ATOM 2180 CD2 LEU A 139 -13.757 -4.378 23.074 1.00 64.51 C ATOM 0 H LEU A 139 -11.427 -7.752 22.938 1.00 55.50 H new ATOM 0 HA LEU A 139 -14.003 -7.151 22.361 1.00 72.45 H new ATOM 0 HB2 LEU A 139 -11.343 -5.985 21.354 1.00 33.15 H new ATOM 0 HB3 LEU A 139 -12.859 -5.260 20.857 1.00 33.15 H new ATOM 0 HG LEU A 139 -12.013 -5.423 23.779 1.00 14.34 H new ATOM 0 HD11 LEU A 139 -11.316 -3.082 23.384 1.00 55.12 H new ATOM 0 HD12 LEU A 139 -10.389 -4.170 22.325 1.00 55.12 H new ATOM 0 HD13 LEU A 139 -11.745 -3.227 21.663 1.00 55.12 H new ATOM 0 HD21 LEU A 139 -13.779 -3.722 23.944 1.00 64.51 H new ATOM 0 HD22 LEU A 139 -14.064 -3.819 22.190 1.00 64.51 H new ATOM 0 HD23 LEU A 139 -14.441 -5.212 23.231 1.00 64.51 H new ATOM 2192 N LEU A 140 -12.055 -7.763 19.721 1.00 71.42 N ATOM 2193 CA LEU A 140 -12.067 -8.057 18.315 1.00 4.44 C ATOM 2194 C LEU A 140 -12.692 -9.414 18.004 1.00 21.25 C ATOM 2195 O LEU A 140 -13.471 -9.547 17.065 1.00 21.54 O ATOM 2196 CB LEU A 140 -10.659 -7.924 17.694 1.00 14.32 C ATOM 2197 CG LEU A 140 -10.084 -6.484 17.714 1.00 4.11 C ATOM 2198 CD1 LEU A 140 -8.733 -6.440 16.979 1.00 73.02 C ATOM 2199 CD2 LEU A 140 -11.025 -5.359 17.258 1.00 23.24 C ATOM 0 H LEU A 140 -11.132 -7.750 20.156 1.00 71.42 H new ATOM 0 HA LEU A 140 -12.706 -7.308 17.848 1.00 4.44 H new ATOM 0 HB2 LEU A 140 -9.975 -8.583 18.229 1.00 14.32 H new ATOM 0 HB3 LEU A 140 -10.696 -8.273 16.662 1.00 14.32 H new ATOM 0 HG LEU A 140 -9.943 -6.259 18.771 1.00 4.11 H new ATOM 0 HD11 LEU A 140 -8.340 -5.423 17.000 1.00 73.02 H new ATOM 0 HD12 LEU A 140 -8.029 -7.111 17.471 1.00 73.02 H new ATOM 0 HD13 LEU A 140 -8.871 -6.754 15.944 1.00 73.02 H new ATOM 0 HD21 LEU A 140 -10.505 -4.403 17.318 1.00 23.24 H new ATOM 0 HD22 LEU A 140 -11.335 -5.539 16.229 1.00 23.24 H new ATOM 0 HD23 LEU A 140 -11.903 -5.336 17.903 1.00 23.24 H new ATOM 2211 N ALA A 141 -12.427 -10.457 18.823 1.00 22.10 N ATOM 2212 CA ALA A 141 -13.060 -11.755 18.694 1.00 71.41 C ATOM 2213 C ALA A 141 -14.570 -11.704 18.834 1.00 12.53 C ATOM 2214 O ALA A 141 -15.274 -12.365 18.076 1.00 2.04 O ATOM 2215 CB ALA A 141 -12.510 -12.740 19.745 1.00 60.23 C ATOM 0 H ALA A 141 -11.760 -10.404 19.593 1.00 22.10 H new ATOM 0 HA ALA A 141 -12.824 -12.094 17.685 1.00 71.41 H new ATOM 0 HB1 ALA A 141 -13.000 -13.707 19.629 1.00 60.23 H new ATOM 0 HB2 ALA A 141 -11.435 -12.858 19.606 1.00 60.23 H new ATOM 0 HB3 ALA A 141 -12.706 -12.352 20.745 1.00 60.23 H new ATOM 2221 N ASP A 142 -15.112 -10.917 19.790 1.00 4.35 N ATOM 2222 CA ASP A 142 -16.540 -10.798 19.992 1.00 30.42 C ATOM 2223 C ASP A 142 -17.100 -9.557 19.287 1.00 60.44 C ATOM 2224 O ASP A 142 -18.035 -8.936 19.786 1.00 52.31 O ATOM 2225 CB ASP A 142 -16.815 -10.779 21.525 1.00 63.43 C ATOM 2226 CG ASP A 142 -18.277 -11.014 21.901 1.00 23.13 C ATOM 2227 OD1 ASP A 142 -18.785 -10.283 22.795 1.00 25.32 O ATOM 2228 OD2 ASP A 142 -18.878 -11.966 21.341 1.00 41.30 O ATOM 0 H ASP A 142 -14.556 -10.354 20.434 1.00 4.35 H new ATOM 0 HA ASP A 142 -17.053 -11.651 19.548 1.00 30.42 H new ATOM 0 HB2 ASP A 142 -16.201 -11.543 22.003 1.00 63.43 H new ATOM 0 HB3 ASP A 142 -16.498 -9.817 21.928 1.00 63.43 H new ATOM 2233 N THR A 143 -16.570 -9.151 18.104 1.00 60.13 N ATOM 2234 CA THR A 143 -17.103 -7.984 17.382 1.00 52.43 C ATOM 2235 C THR A 143 -18.574 -8.149 16.894 1.00 22.41 C ATOM 2236 O THR A 143 -18.911 -9.210 16.302 1.00 0.00 O ATOM 2237 CB THR A 143 -16.229 -7.524 16.201 1.00 0.43 C ATOM 2238 OG1 THR A 143 -16.759 -6.340 15.618 1.00 32.21 O ATOM 2239 CG2 THR A 143 -16.076 -8.585 15.092 1.00 63.12 C ATOM 2240 OXT THR A 143 -19.380 -7.210 17.143 1.00 0.00 O ATOM 0 H THR A 143 -15.786 -9.612 17.642 1.00 60.13 H new ATOM 0 HA THR A 143 -17.085 -7.207 18.146 1.00 52.43 H new ATOM 0 HB THR A 143 -15.242 -7.343 16.626 1.00 0.43 H new ATOM 0 HG1 THR A 143 -16.191 -6.061 14.870 1.00 32.21 H new ATOM 0 HG21 THR A 143 -15.448 -8.189 14.294 1.00 63.12 H new ATOM 0 HG22 THR A 143 -15.614 -9.481 15.507 1.00 63.12 H new ATOM 0 HG23 THR A 143 -17.058 -8.835 14.690 1.00 63.12 H new TER 2248 THR A 143