USER MOD reduce.3.24.130724 H: found=0, std=0, add=1053, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 885 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 129 LYS NZ :NH3+ 171:sc= 0.258 (180deg=-0.375) USER MOD Set 1.2: A 131 HIS : no HE2:sc= 0.345 K(o=0.6,f=-6.9!) USER MOD Set 2.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 32 GLN : amide:sc= 0.91 K(o=0.91,f=0) USER MOD Single : A 1 GLY N :NH3+ 136:sc= 0.0624 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.236 K(o=-0.24,f=-2.6!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0755 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 156:sc= 0.516 (180deg=-1.07!) USER MOD Single : A 19 LYS NZ :NH3+ -113:sc= -0.186 (180deg=-1.1) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.226 K(o=-0.23,f=-0.89) USER MOD Single : A 29 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.032) USER MOD Single : A 31 GLN : amide:sc= 0.358 X(o=0.36,f=-0.028) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0813 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0822 USER MOD Single : A 37 CYS SG : rot 87:sc= 0.501 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 69:sc= 0.217 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -0.325 X(o=-0.33,f=-0.13) USER MOD Single : A 52 HIS : no HD1:sc= -0.362 X(o=-0.36,f=-0.01) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 0.463 K(o=0.46,f=-4.2!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.569 X(o=-0.57,f=-0.08) USER MOD Single : A 65 ASN : amide:sc= -3.01! K(o=-3!,f=-0.11) USER MOD Single : A 67 ASN : amide:sc= 0.731 K(o=0.73,f=-0.093) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.145 X(o=-0.14,f=-0.012) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.12) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 34:sc= 0.914 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 1.14 K(o=1.1,f=-0.0085) USER MOD Single : A 102 GLN : amide:sc= 1.08 K(o=1.1,f=-0.28) USER MOD Single : A 108 ASN : amide:sc= 0.723 K(o=0.72,f=-0.033) USER MOD Single : A 109 TYR OH : rot 175:sc= 1.29 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 126 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.151 -10.460 -27.262 1.00 53.14 N ATOM 2 CA GLY A 1 -4.320 -9.389 -26.276 1.00 14.03 C ATOM 3 C GLY A 1 -4.616 -9.964 -24.908 1.00 25.54 C ATOM 4 O GLY A 1 -5.179 -11.058 -24.794 1.00 3.41 O ATOM 0 H1 GLY A 1 -4.661 -10.213 -28.134 1.00 53.14 H new ATOM 0 H2 GLY A 1 -3.140 -10.580 -27.475 1.00 53.14 H new ATOM 0 H3 GLY A 1 -4.532 -11.348 -26.878 1.00 53.14 H new ATOM 0 HA2 GLY A 1 -3.416 -8.782 -26.233 1.00 14.03 H new ATOM 0 HA3 GLY A 1 -5.132 -8.730 -26.583 1.00 14.03 H new ATOM 8 N MET A 2 -4.223 -9.249 -23.853 1.00 23.42 N ATOM 9 CA MET A 2 -4.517 -9.661 -22.487 1.00 3.32 C ATOM 10 C MET A 2 -5.947 -9.263 -22.131 1.00 2.35 C ATOM 11 O MET A 2 -6.518 -8.341 -22.725 1.00 52.42 O ATOM 12 CB MET A 2 -3.541 -9.004 -21.504 1.00 52.04 C ATOM 13 CG MET A 2 -2.083 -9.395 -21.763 1.00 22.21 C ATOM 14 SD MET A 2 -1.203 -8.377 -22.981 1.00 25.45 S ATOM 15 CE MET A 2 0.322 -9.343 -23.096 1.00 62.53 C ATOM 0 H MET A 2 -3.698 -8.378 -23.923 1.00 23.42 H new ATOM 0 HA MET A 2 -4.407 -10.743 -22.417 1.00 3.32 H new ATOM 0 HB2 MET A 2 -3.639 -7.921 -21.572 1.00 52.04 H new ATOM 0 HB3 MET A 2 -3.813 -9.286 -20.487 1.00 52.04 H new ATOM 0 HG2 MET A 2 -1.540 -9.350 -20.819 1.00 22.21 H new ATOM 0 HG3 MET A 2 -2.057 -10.432 -22.097 1.00 22.21 H new ATOM 0 HE1 MET A 2 1.000 -8.870 -23.807 1.00 62.53 H new ATOM 0 HE2 MET A 2 0.798 -9.389 -22.117 1.00 62.53 H new ATOM 0 HE3 MET A 2 0.089 -10.353 -23.434 1.00 62.53 H new ATOM 23 N THR A 3 -6.494 -9.905 -21.105 1.00 74.51 N ATOM 24 CA THR A 3 -7.797 -9.612 -20.528 1.00 71.50 C ATOM 25 C THR A 3 -7.671 -9.625 -19.002 1.00 71.41 C ATOM 26 O THR A 3 -6.734 -10.242 -18.484 1.00 12.43 O ATOM 27 CB THR A 3 -8.832 -10.632 -21.049 1.00 52.01 C ATOM 28 OG1 THR A 3 -8.278 -11.913 -21.306 1.00 3.11 O ATOM 29 CG2 THR A 3 -9.417 -10.133 -22.372 1.00 22.44 C ATOM 0 H THR A 3 -6.020 -10.676 -20.634 1.00 74.51 H new ATOM 0 HA THR A 3 -8.146 -8.623 -20.826 1.00 71.50 H new ATOM 0 HB THR A 3 -9.583 -10.725 -20.265 1.00 52.01 H new ATOM 0 HG1 THR A 3 -8.981 -12.514 -21.631 1.00 3.11 H new ATOM 0 HG21 THR A 3 -10.148 -10.852 -22.741 1.00 22.44 H new ATOM 0 HG22 THR A 3 -9.903 -9.170 -22.215 1.00 22.44 H new ATOM 0 HG23 THR A 3 -8.617 -10.021 -23.104 1.00 22.44 H new ATOM 37 N PRO A 4 -8.584 -8.973 -18.267 1.00 54.33 N ATOM 38 CA PRO A 4 -8.519 -8.936 -16.820 1.00 5.41 C ATOM 39 C PRO A 4 -8.793 -10.337 -16.278 1.00 21.14 C ATOM 40 O PRO A 4 -9.780 -10.970 -16.659 1.00 34.41 O ATOM 41 CB PRO A 4 -9.575 -7.919 -16.388 1.00 3.22 C ATOM 42 CG PRO A 4 -10.617 -8.006 -17.500 1.00 52.31 C ATOM 43 CD PRO A 4 -9.755 -8.245 -18.739 1.00 65.40 C ATOM 0 HA PRO A 4 -7.543 -8.640 -16.435 1.00 5.41 H new ATOM 0 HB2 PRO A 4 -10.001 -8.169 -15.416 1.00 3.22 H new ATOM 0 HB3 PRO A 4 -9.158 -6.916 -16.305 1.00 3.22 H new ATOM 0 HG2 PRO A 4 -11.323 -8.820 -17.333 1.00 52.31 H new ATOM 0 HG3 PRO A 4 -11.201 -7.089 -17.582 1.00 52.31 H new ATOM 0 HD2 PRO A 4 -10.298 -8.820 -19.489 1.00 65.40 H new ATOM 0 HD3 PRO A 4 -9.469 -7.302 -19.205 1.00 65.40 H new ATOM 48 N GLN A 5 -7.910 -10.823 -15.413 1.00 54.24 N ATOM 49 CA GLN A 5 -8.074 -12.050 -14.650 1.00 10.02 C ATOM 50 C GLN A 5 -7.314 -11.862 -13.347 1.00 22.55 C ATOM 51 O GLN A 5 -6.237 -11.256 -13.353 1.00 61.51 O ATOM 52 CB GLN A 5 -7.485 -13.251 -15.412 1.00 10.23 C ATOM 53 CG GLN A 5 -8.472 -14.005 -16.317 1.00 22.54 C ATOM 54 CD GLN A 5 -9.555 -14.779 -15.558 1.00 1.11 C ATOM 55 OE1 GLN A 5 -9.796 -14.579 -14.368 1.00 61.52 O ATOM 56 NE2 GLN A 5 -10.237 -15.688 -16.228 1.00 44.21 N ATOM 0 H GLN A 5 -7.026 -10.353 -15.218 1.00 54.24 H new ATOM 0 HA GLN A 5 -9.132 -12.249 -14.477 1.00 10.02 H new ATOM 0 HB2 GLN A 5 -6.653 -12.900 -16.023 1.00 10.23 H new ATOM 0 HB3 GLN A 5 -7.073 -13.953 -14.687 1.00 10.23 H new ATOM 0 HG2 GLN A 5 -8.953 -13.291 -16.986 1.00 22.54 H new ATOM 0 HG3 GLN A 5 -7.914 -14.702 -16.943 1.00 22.54 H new ATOM 0 HE21 GLN A 5 -10.036 -15.852 -17.214 1.00 44.21 H new ATOM 0 HE22 GLN A 5 -10.966 -16.227 -15.760 1.00 44.21 H new ATOM 63 N SER A 6 -7.837 -12.429 -12.263 1.00 50.43 N ATOM 64 CA SER A 6 -7.287 -12.328 -10.916 1.00 3.31 C ATOM 65 C SER A 6 -6.340 -13.490 -10.604 1.00 70.21 C ATOM 66 O SER A 6 -6.223 -13.935 -9.461 1.00 50.42 O ATOM 67 CB SER A 6 -8.452 -12.296 -9.923 1.00 70.41 C ATOM 68 OG SER A 6 -9.534 -11.512 -10.390 1.00 24.11 O ATOM 0 H SER A 6 -8.687 -12.992 -12.301 1.00 50.43 H new ATOM 0 HA SER A 6 -6.699 -11.414 -10.835 1.00 3.31 H new ATOM 0 HB2 SER A 6 -8.797 -13.313 -9.738 1.00 70.41 H new ATOM 0 HB3 SER A 6 -8.103 -11.899 -8.970 1.00 70.41 H new ATOM 0 HG SER A 6 -10.255 -11.521 -9.726 1.00 24.11 H new ATOM 73 N ASP A 7 -5.676 -13.993 -11.638 1.00 13.34 N ATOM 74 CA ASP A 7 -4.978 -15.277 -11.697 1.00 32.15 C ATOM 75 C ASP A 7 -3.555 -15.182 -11.137 1.00 5.22 C ATOM 76 O ASP A 7 -2.644 -15.925 -11.512 1.00 65.20 O ATOM 77 CB ASP A 7 -4.970 -15.709 -13.163 1.00 23.21 C ATOM 78 CG ASP A 7 -6.257 -16.369 -13.648 1.00 45.34 C ATOM 79 OD1 ASP A 7 -7.171 -16.632 -12.838 1.00 73.24 O ATOM 80 OD2 ASP A 7 -6.348 -16.541 -14.886 1.00 62.44 O ATOM 0 H ASP A 7 -5.605 -13.482 -12.518 1.00 13.34 H new ATOM 0 HA ASP A 7 -5.490 -16.013 -11.077 1.00 32.15 H new ATOM 0 HB2 ASP A 7 -4.772 -14.834 -13.783 1.00 23.21 H new ATOM 0 HB3 ASP A 7 -4.143 -16.403 -13.317 1.00 23.21 H new ATOM 84 N THR A 8 -3.339 -14.186 -10.291 1.00 32.55 N ATOM 85 CA THR A 8 -2.173 -14.010 -9.456 1.00 30.13 C ATOM 86 C THR A 8 -2.093 -15.127 -8.399 1.00 2.31 C ATOM 87 O THR A 8 -3.117 -15.714 -8.035 1.00 33.34 O ATOM 88 CB THR A 8 -2.264 -12.615 -8.797 1.00 74.44 C ATOM 89 OG1 THR A 8 -3.585 -12.303 -8.370 1.00 63.21 O ATOM 90 CG2 THR A 8 -1.842 -11.520 -9.781 1.00 31.52 C ATOM 0 H THR A 8 -4.019 -13.436 -10.166 1.00 32.55 H new ATOM 0 HA THR A 8 -1.264 -14.072 -10.054 1.00 30.13 H new ATOM 0 HB THR A 8 -1.598 -12.650 -7.935 1.00 74.44 H new ATOM 0 HG1 THR A 8 -3.594 -11.414 -7.959 1.00 63.21 H new ATOM 0 HG21 THR A 8 -1.914 -10.547 -9.295 1.00 31.52 H new ATOM 0 HG22 THR A 8 -0.813 -11.692 -10.098 1.00 31.52 H new ATOM 0 HG23 THR A 8 -2.498 -11.541 -10.651 1.00 31.52 H new ATOM 98 N PRO A 9 -0.913 -15.343 -7.805 1.00 2.24 N ATOM 99 CA PRO A 9 -0.708 -16.215 -6.648 1.00 71.01 C ATOM 100 C PRO A 9 -1.466 -15.722 -5.409 1.00 1.41 C ATOM 101 O PRO A 9 -2.007 -14.609 -5.390 1.00 50.32 O ATOM 102 CB PRO A 9 0.814 -16.224 -6.439 1.00 33.25 C ATOM 103 CG PRO A 9 1.253 -14.893 -7.040 1.00 53.52 C ATOM 104 CD PRO A 9 0.345 -14.770 -8.234 1.00 73.14 C ATOM 0 HA PRO A 9 -1.100 -17.218 -6.816 1.00 71.01 H new ATOM 0 HB2 PRO A 9 1.076 -16.296 -5.383 1.00 33.25 H new ATOM 0 HB3 PRO A 9 1.285 -17.068 -6.942 1.00 33.25 H new ATOM 0 HG2 PRO A 9 1.121 -14.067 -6.341 1.00 53.52 H new ATOM 0 HG3 PRO A 9 2.304 -14.903 -7.327 1.00 53.52 H new ATOM 0 HD2 PRO A 9 0.224 -13.729 -8.533 1.00 73.14 H new ATOM 0 HD3 PRO A 9 0.749 -15.303 -9.094 1.00 73.14 H new ATOM 109 N LYS A 10 -1.491 -16.532 -4.347 1.00 24.25 N ATOM 110 CA LYS A 10 -2.028 -16.149 -3.040 1.00 44.21 C ATOM 111 C LYS A 10 -0.890 -15.986 -2.041 1.00 31.32 C ATOM 112 O LYS A 10 0.129 -16.683 -2.121 1.00 42.31 O ATOM 113 CB LYS A 10 -3.058 -17.177 -2.546 1.00 70.40 C ATOM 114 CG LYS A 10 -4.439 -16.983 -3.205 1.00 30.15 C ATOM 115 CD LYS A 10 -4.720 -17.895 -4.403 1.00 5.42 C ATOM 116 CE LYS A 10 -5.055 -19.291 -3.880 1.00 73.30 C ATOM 117 NZ LYS A 10 -5.412 -20.255 -4.943 1.00 50.44 N ATOM 0 H LYS A 10 -1.133 -17.487 -4.372 1.00 24.25 H new ATOM 0 HA LYS A 10 -2.543 -15.193 -3.138 1.00 44.21 H new ATOM 0 HB2 LYS A 10 -2.695 -18.183 -2.757 1.00 70.40 H new ATOM 0 HB3 LYS A 10 -3.159 -17.096 -1.464 1.00 70.40 H new ATOM 0 HG2 LYS A 10 -5.210 -17.149 -2.453 1.00 30.15 H new ATOM 0 HG3 LYS A 10 -4.528 -15.946 -3.529 1.00 30.15 H new ATOM 0 HD2 LYS A 10 -5.549 -17.502 -4.992 1.00 5.42 H new ATOM 0 HD3 LYS A 10 -3.852 -17.935 -5.061 1.00 5.42 H new ATOM 0 HE2 LYS A 10 -4.200 -19.676 -3.325 1.00 73.30 H new ATOM 0 HE3 LYS A 10 -5.884 -19.216 -3.176 1.00 73.30 H new ATOM 0 HZ1 LYS A 10 -5.627 -21.179 -4.516 1.00 50.44 H new ATOM 0 HZ2 LYS A 10 -6.246 -19.910 -5.459 1.00 50.44 H new ATOM 0 HZ3 LYS A 10 -4.614 -20.355 -5.603 1.00 50.44 H new ATOM 127 N VAL A 11 -1.051 -15.030 -1.128 1.00 30.22 N ATOM 128 CA VAL A 11 -0.072 -14.748 -0.091 1.00 45.53 C ATOM 129 C VAL A 11 -0.185 -15.840 0.973 1.00 74.44 C ATOM 130 O VAL A 11 -1.292 -16.201 1.381 1.00 72.33 O ATOM 131 CB VAL A 11 -0.314 -13.334 0.481 1.00 71.14 C ATOM 132 CG1 VAL A 11 0.629 -12.987 1.639 1.00 3.51 C ATOM 133 CG2 VAL A 11 -0.133 -12.277 -0.619 1.00 25.41 C ATOM 0 H VAL A 11 -1.873 -14.427 -1.091 1.00 30.22 H new ATOM 0 HA VAL A 11 0.943 -14.756 -0.487 1.00 45.53 H new ATOM 0 HB VAL A 11 -1.336 -13.333 0.861 1.00 71.14 H new ATOM 0 HG11 VAL A 11 0.410 -11.981 1.998 1.00 3.51 H new ATOM 0 HG12 VAL A 11 0.487 -13.701 2.450 1.00 3.51 H new ATOM 0 HG13 VAL A 11 1.662 -13.032 1.293 1.00 3.51 H new ATOM 0 HG21 VAL A 11 -0.306 -11.285 -0.202 1.00 25.41 H new ATOM 0 HG22 VAL A 11 0.882 -12.333 -1.014 1.00 25.41 H new ATOM 0 HG23 VAL A 11 -0.846 -12.463 -1.423 1.00 25.41 H new ATOM 143 N THR A 12 0.959 -16.336 1.438 1.00 32.43 N ATOM 144 CA THR A 12 1.103 -17.331 2.492 1.00 61.04 C ATOM 145 C THR A 12 2.028 -16.787 3.599 1.00 73.33 C ATOM 146 O THR A 12 2.173 -17.451 4.625 1.00 42.31 O ATOM 147 CB THR A 12 1.597 -18.692 1.924 1.00 42.34 C ATOM 148 OG1 THR A 12 2.941 -18.595 1.483 1.00 64.03 O ATOM 149 CG2 THR A 12 0.775 -19.224 0.736 1.00 50.11 C ATOM 0 H THR A 12 1.860 -16.036 1.067 1.00 32.43 H new ATOM 0 HA THR A 12 0.126 -17.523 2.935 1.00 61.04 H new ATOM 0 HB THR A 12 1.485 -19.386 2.757 1.00 42.34 H new ATOM 0 HG1 THR A 12 3.233 -19.462 1.131 1.00 64.03 H new ATOM 0 HG21 THR A 12 1.189 -20.176 0.404 1.00 50.11 H new ATOM 0 HG22 THR A 12 -0.260 -19.367 1.045 1.00 50.11 H new ATOM 0 HG23 THR A 12 0.813 -18.506 -0.083 1.00 50.11 H new ATOM 157 N GLY A 13 2.640 -15.604 3.437 1.00 50.20 N ATOM 158 CA GLY A 13 3.612 -15.058 4.374 1.00 25.21 C ATOM 159 C GLY A 13 3.564 -13.539 4.402 1.00 3.45 C ATOM 160 O GLY A 13 3.453 -12.903 3.349 1.00 31.44 O ATOM 0 H GLY A 13 2.465 -14.997 2.636 1.00 50.20 H new ATOM 0 HA2 GLY A 13 3.416 -15.448 5.373 1.00 25.21 H new ATOM 0 HA3 GLY A 13 4.613 -15.387 4.095 1.00 25.21 H new ATOM 164 N LEU A 14 3.626 -12.970 5.609 1.00 70.02 N ATOM 165 CA LEU A 14 3.479 -11.547 5.888 1.00 72.12 C ATOM 166 C LEU A 14 4.439 -11.176 7.019 1.00 23.23 C ATOM 167 O LEU A 14 4.602 -11.944 7.972 1.00 32.13 O ATOM 168 CB LEU A 14 2.037 -11.250 6.353 1.00 70.02 C ATOM 169 CG LEU A 14 0.929 -11.654 5.354 1.00 61.11 C ATOM 170 CD1 LEU A 14 0.339 -13.038 5.648 1.00 71.34 C ATOM 171 CD2 LEU A 14 -0.211 -10.637 5.356 1.00 32.31 C ATOM 0 H LEU A 14 3.788 -13.518 6.454 1.00 70.02 H new ATOM 0 HA LEU A 14 3.697 -10.973 4.987 1.00 72.12 H new ATOM 0 HB2 LEU A 14 1.862 -11.769 7.295 1.00 70.02 H new ATOM 0 HB3 LEU A 14 1.950 -10.183 6.556 1.00 70.02 H new ATOM 0 HG LEU A 14 1.411 -11.682 4.377 1.00 61.11 H new ATOM 0 HD11 LEU A 14 -0.434 -13.267 4.914 1.00 71.34 H new ATOM 0 HD12 LEU A 14 1.127 -13.789 5.592 1.00 71.34 H new ATOM 0 HD13 LEU A 14 -0.096 -13.043 6.647 1.00 71.34 H new ATOM 0 HD21 LEU A 14 -0.976 -10.947 4.644 1.00 32.31 H new ATOM 0 HD22 LEU A 14 -0.646 -10.580 6.354 1.00 32.31 H new ATOM 0 HD23 LEU A 14 0.174 -9.658 5.071 1.00 32.31 H new ATOM 182 N LYS A 15 5.036 -9.986 6.969 1.00 14.13 N ATOM 183 CA LYS A 15 5.866 -9.416 8.035 1.00 61.12 C ATOM 184 C LYS A 15 5.804 -7.922 7.921 1.00 5.31 C ATOM 185 O LYS A 15 5.568 -7.387 6.844 1.00 4.31 O ATOM 186 CB LYS A 15 7.332 -9.894 7.892 1.00 74.43 C ATOM 187 CG LYS A 15 7.728 -10.971 8.911 1.00 25.44 C ATOM 188 CD LYS A 15 8.479 -10.442 10.137 1.00 5.51 C ATOM 189 CE LYS A 15 7.669 -9.431 10.955 1.00 70.33 C ATOM 190 NZ LYS A 15 8.365 -9.000 12.185 1.00 22.25 N ATOM 0 H LYS A 15 4.954 -9.370 6.160 1.00 14.13 H new ATOM 0 HA LYS A 15 5.497 -9.741 9.008 1.00 61.12 H new ATOM 0 HB2 LYS A 15 7.482 -10.285 6.886 1.00 74.43 H new ATOM 0 HB3 LYS A 15 7.997 -9.038 8.003 1.00 74.43 H new ATOM 0 HG2 LYS A 15 6.827 -11.484 9.247 1.00 25.44 H new ATOM 0 HG3 LYS A 15 8.351 -11.714 8.412 1.00 25.44 H new ATOM 0 HD2 LYS A 15 8.752 -11.281 10.777 1.00 5.51 H new ATOM 0 HD3 LYS A 15 9.408 -9.974 9.811 1.00 5.51 H new ATOM 0 HE2 LYS A 15 7.457 -8.558 10.338 1.00 70.33 H new ATOM 0 HE3 LYS A 15 6.709 -9.873 11.222 1.00 70.33 H new ATOM 0 HZ1 LYS A 15 7.772 -8.317 12.698 1.00 22.25 H new ATOM 0 HZ2 LYS A 15 8.544 -9.827 12.790 1.00 22.25 H new ATOM 0 HZ3 LYS A 15 9.269 -8.552 11.933 1.00 22.25 H new ATOM 200 N LEU A 16 6.066 -7.239 9.029 1.00 54.24 N ATOM 201 CA LEU A 16 6.355 -5.829 9.002 1.00 61.02 C ATOM 202 C LEU A 16 7.756 -5.555 9.524 1.00 73.04 C ATOM 203 O LEU A 16 8.373 -6.361 10.225 1.00 11.22 O ATOM 204 CB LEU A 16 5.284 -5.043 9.764 1.00 31.04 C ATOM 205 CG LEU A 16 4.171 -4.561 8.833 1.00 62.24 C ATOM 206 CD1 LEU A 16 3.110 -5.648 8.635 1.00 71.33 C ATOM 207 CD2 LEU A 16 3.567 -3.326 9.466 1.00 53.13 C ATOM 0 H LEU A 16 6.082 -7.653 9.961 1.00 54.24 H new ATOM 0 HA LEU A 16 6.329 -5.485 7.968 1.00 61.02 H new ATOM 0 HB2 LEU A 16 4.858 -5.671 10.546 1.00 31.04 H new ATOM 0 HB3 LEU A 16 5.743 -4.186 10.258 1.00 31.04 H new ATOM 0 HG LEU A 16 4.571 -4.331 7.845 1.00 62.24 H new ATOM 0 HD11 LEU A 16 2.330 -5.278 7.969 1.00 71.33 H new ATOM 0 HD12 LEU A 16 3.573 -6.532 8.197 1.00 71.33 H new ATOM 0 HD13 LEU A 16 2.671 -5.908 9.598 1.00 71.33 H new ATOM 0 HD21 LEU A 16 2.765 -2.947 8.832 1.00 53.13 H new ATOM 0 HD22 LEU A 16 3.165 -3.579 10.447 1.00 53.13 H new ATOM 0 HD23 LEU A 16 4.335 -2.561 9.575 1.00 53.13 H new ATOM 218 N LYS A 17 8.239 -4.361 9.199 1.00 71.21 N ATOM 219 CA LYS A 17 9.501 -3.801 9.643 1.00 22.25 C ATOM 220 C LYS A 17 9.214 -2.378 10.084 1.00 3.54 C ATOM 221 O LYS A 17 9.349 -1.430 9.310 1.00 72.42 O ATOM 222 CB LYS A 17 10.586 -3.906 8.555 1.00 60.21 C ATOM 223 CG LYS A 17 10.167 -3.417 7.156 1.00 20.25 C ATOM 224 CD LYS A 17 9.805 -4.554 6.200 1.00 4.24 C ATOM 225 CE LYS A 17 11.019 -4.987 5.364 1.00 62.01 C ATOM 226 NZ LYS A 17 11.905 -5.895 6.110 1.00 11.31 N ATOM 0 H LYS A 17 7.729 -3.726 8.585 1.00 71.21 H new ATOM 0 HA LYS A 17 9.913 -4.363 10.481 1.00 22.25 H new ATOM 0 HB2 LYS A 17 11.456 -3.333 8.876 1.00 60.21 H new ATOM 0 HB3 LYS A 17 10.901 -4.947 8.479 1.00 60.21 H new ATOM 0 HG2 LYS A 17 9.312 -2.748 7.254 1.00 20.25 H new ATOM 0 HG3 LYS A 17 10.980 -2.834 6.724 1.00 20.25 H new ATOM 0 HD2 LYS A 17 9.430 -5.405 6.769 1.00 4.24 H new ATOM 0 HD3 LYS A 17 9.000 -4.233 5.538 1.00 4.24 H new ATOM 0 HE2 LYS A 17 10.676 -5.481 4.455 1.00 62.01 H new ATOM 0 HE3 LYS A 17 11.580 -4.105 5.055 1.00 62.01 H new ATOM 0 HZ1 LYS A 17 12.454 -6.472 5.441 1.00 11.31 H new ATOM 0 HZ2 LYS A 17 12.555 -5.338 6.701 1.00 11.31 H new ATOM 0 HZ3 LYS A 17 11.333 -6.518 6.716 1.00 11.31 H new ATOM 236 N ARG A 18 8.792 -2.208 11.343 1.00 64.02 N ATOM 237 CA ARG A 18 8.487 -0.881 11.890 1.00 33.40 C ATOM 238 C ARG A 18 9.641 0.099 11.686 1.00 35.14 C ATOM 239 O ARG A 18 9.393 1.250 11.352 1.00 40.11 O ATOM 240 CB ARG A 18 8.031 -0.996 13.349 1.00 11.51 C ATOM 241 CG ARG A 18 9.111 -1.308 14.402 1.00 75.21 C ATOM 242 CD ARG A 18 8.382 -1.630 15.718 1.00 61.41 C ATOM 243 NE ARG A 18 9.258 -1.572 16.899 1.00 62.03 N ATOM 244 CZ ARG A 18 9.161 -0.695 17.910 1.00 0.12 C ATOM 245 NH1 ARG A 18 8.341 0.348 17.856 1.00 41.52 N ATOM 246 NH2 ARG A 18 9.890 -0.877 19.002 1.00 62.41 N ATOM 0 H ARG A 18 8.654 -2.974 12.002 1.00 64.02 H new ATOM 0 HA ARG A 18 7.652 -0.457 11.332 1.00 33.40 H new ATOM 0 HB2 ARG A 18 7.549 -0.059 13.627 1.00 11.51 H new ATOM 0 HB3 ARG A 18 7.270 -1.775 13.405 1.00 11.51 H new ATOM 0 HG2 ARG A 18 9.725 -2.151 14.086 1.00 75.21 H new ATOM 0 HG3 ARG A 18 9.780 -0.457 14.531 1.00 75.21 H new ATOM 0 HD2 ARG A 18 7.559 -0.928 15.850 1.00 61.41 H new ATOM 0 HD3 ARG A 18 7.944 -2.626 15.648 1.00 61.41 H new ATOM 0 HE ARG A 18 10.008 -2.262 16.954 1.00 62.03 H new ATOM 0 HH11 ARG A 18 7.763 0.500 17.030 1.00 41.52 H new ATOM 0 HH12 ARG A 18 8.289 0.997 18.641 1.00 41.52 H new ATOM 0 HH21 ARG A 18 10.518 -1.678 19.068 1.00 62.41 H new ATOM 0 HH22 ARG A 18 9.823 -0.216 19.776 1.00 62.41 H new ATOM 257 N LYS A 19 10.865 -0.426 11.709 1.00 11.50 N ATOM 258 CA LYS A 19 12.145 0.242 11.536 1.00 62.32 C ATOM 259 C LYS A 19 12.147 1.250 10.395 1.00 41.34 C ATOM 260 O LYS A 19 12.550 2.388 10.602 1.00 53.35 O ATOM 261 CB LYS A 19 13.149 -0.883 11.237 1.00 43.23 C ATOM 262 CG LYS A 19 13.394 -1.815 12.436 1.00 60.42 C ATOM 263 CD LYS A 19 14.826 -1.750 12.971 1.00 40.15 C ATOM 264 CE LYS A 19 15.217 -0.325 13.387 1.00 23.13 C ATOM 265 NZ LYS A 19 16.081 0.342 12.388 1.00 12.21 N ATOM 0 H LYS A 19 10.993 -1.426 11.864 1.00 11.50 H new ATOM 0 HA LYS A 19 12.390 0.815 12.430 1.00 62.32 H new ATOM 0 HB2 LYS A 19 12.784 -1.473 10.396 1.00 43.23 H new ATOM 0 HB3 LYS A 19 14.097 -0.442 10.929 1.00 43.23 H new ATOM 0 HG2 LYS A 19 12.702 -1.554 13.237 1.00 60.42 H new ATOM 0 HG3 LYS A 19 13.170 -2.840 12.142 1.00 60.42 H new ATOM 0 HD2 LYS A 19 14.925 -2.418 13.827 1.00 40.15 H new ATOM 0 HD3 LYS A 19 15.516 -2.107 12.206 1.00 40.15 H new ATOM 0 HE2 LYS A 19 14.314 0.267 13.534 1.00 23.13 H new ATOM 0 HE3 LYS A 19 15.735 -0.359 14.345 1.00 23.13 H new ATOM 0 HZ1 LYS A 19 17.028 0.489 12.791 1.00 12.21 H new ATOM 0 HZ2 LYS A 19 16.155 -0.255 11.539 1.00 12.21 H new ATOM 0 HZ3 LYS A 19 15.668 1.261 12.130 1.00 12.21 H new ATOM 275 N SER A 20 11.698 0.844 9.205 1.00 61.21 N ATOM 276 CA SER A 20 11.552 1.711 8.044 1.00 14.42 C ATOM 277 C SER A 20 10.136 1.546 7.494 1.00 60.14 C ATOM 278 O SER A 20 9.921 1.461 6.287 1.00 34.22 O ATOM 279 CB SER A 20 12.668 1.403 7.041 1.00 52.25 C ATOM 280 OG SER A 20 13.932 1.703 7.617 1.00 24.34 O ATOM 0 H SER A 20 11.421 -0.120 9.023 1.00 61.21 H new ATOM 0 HA SER A 20 11.666 2.765 8.298 1.00 14.42 H new ATOM 0 HB2 SER A 20 12.630 0.353 6.753 1.00 52.25 H new ATOM 0 HB3 SER A 20 12.524 1.988 6.133 1.00 52.25 H new ATOM 0 HG SER A 20 14.642 1.502 6.971 1.00 24.34 H new ATOM 285 N ARG A 21 9.179 1.413 8.420 1.00 42.43 N ATOM 286 CA ARG A 21 7.732 1.459 8.258 1.00 41.33 C ATOM 287 C ARG A 21 7.162 0.692 7.071 1.00 32.02 C ATOM 288 O ARG A 21 6.126 1.064 6.507 1.00 55.52 O ATOM 289 CB ARG A 21 7.247 2.913 8.393 1.00 54.31 C ATOM 290 CG ARG A 21 6.600 3.217 9.731 1.00 71.44 C ATOM 291 CD ARG A 21 5.356 2.372 9.970 1.00 42.32 C ATOM 292 NE ARG A 21 5.598 1.125 10.725 1.00 22.33 N ATOM 293 CZ ARG A 21 4.741 0.098 10.815 1.00 1.54 C ATOM 294 NH1 ARG A 21 3.705 0.022 9.996 1.00 33.40 N ATOM 295 NH2 ARG A 21 4.880 -0.822 11.763 1.00 54.42 N ATOM 0 H ARG A 21 9.430 1.255 9.396 1.00 42.43 H new ATOM 0 HA ARG A 21 7.303 0.881 9.076 1.00 41.33 H new ATOM 0 HB2 ARG A 21 8.093 3.584 8.248 1.00 54.31 H new ATOM 0 HB3 ARG A 21 6.532 3.124 7.597 1.00 54.31 H new ATOM 0 HG2 ARG A 21 7.319 3.037 10.530 1.00 71.44 H new ATOM 0 HG3 ARG A 21 6.334 4.273 9.773 1.00 71.44 H new ATOM 0 HD2 ARG A 21 4.623 2.972 10.509 1.00 42.32 H new ATOM 0 HD3 ARG A 21 4.914 2.118 9.007 1.00 42.32 H new ATOM 0 HE ARG A 21 6.488 1.039 11.217 1.00 22.33 H new ATOM 0 HH11 ARG A 21 3.556 0.746 9.293 1.00 33.40 H new ATOM 0 HH12 ARG A 21 3.055 -0.761 10.067 1.00 33.40 H new ATOM 0 HH21 ARG A 21 5.646 -0.752 12.433 1.00 54.42 H new ATOM 0 HH22 ARG A 21 4.221 -1.598 11.821 1.00 54.42 H new ATOM 306 N GLN A 22 7.743 -0.457 6.758 1.00 74.24 N ATOM 307 CA GLN A 22 7.431 -1.206 5.556 1.00 74.10 C ATOM 308 C GLN A 22 6.786 -2.547 5.916 1.00 54.14 C ATOM 309 O GLN A 22 6.892 -3.034 7.047 1.00 72.24 O ATOM 310 CB GLN A 22 8.711 -1.345 4.722 1.00 4.14 C ATOM 311 CG GLN A 22 8.810 -0.316 3.589 1.00 23.12 C ATOM 312 CD GLN A 22 10.010 -0.648 2.716 1.00 35.45 C ATOM 313 OE1 GLN A 22 9.863 -1.206 1.635 1.00 41.52 O ATOM 314 NE2 GLN A 22 11.217 -0.416 3.199 1.00 14.52 N ATOM 0 H GLN A 22 8.453 -0.899 7.342 1.00 74.24 H new ATOM 0 HA GLN A 22 6.696 -0.679 4.947 1.00 74.10 H new ATOM 0 HB2 GLN A 22 9.576 -1.239 5.376 1.00 4.14 H new ATOM 0 HB3 GLN A 22 8.753 -2.348 4.298 1.00 4.14 H new ATOM 0 HG2 GLN A 22 7.898 -0.325 2.993 1.00 23.12 H new ATOM 0 HG3 GLN A 22 8.912 0.688 4.001 1.00 23.12 H new ATOM 0 HE21 GLN A 22 11.325 0.049 4.100 1.00 14.52 H new ATOM 0 HE22 GLN A 22 12.041 -0.702 2.671 1.00 14.52 H new ATOM 321 N LEU A 23 6.109 -3.133 4.932 1.00 71.24 N ATOM 322 CA LEU A 23 5.356 -4.375 5.013 1.00 44.40 C ATOM 323 C LEU A 23 5.793 -5.318 3.912 1.00 1.51 C ATOM 324 O LEU A 23 5.826 -4.926 2.753 1.00 71.11 O ATOM 325 CB LEU A 23 3.846 -4.068 4.950 1.00 14.41 C ATOM 326 CG LEU A 23 2.885 -5.275 4.920 1.00 52.13 C ATOM 327 CD1 LEU A 23 1.509 -4.827 5.423 1.00 73.34 C ATOM 328 CD2 LEU A 23 2.641 -5.839 3.520 1.00 32.43 C ATOM 0 H LEU A 23 6.071 -2.724 3.998 1.00 71.24 H new ATOM 0 HA LEU A 23 5.555 -4.871 5.963 1.00 44.40 H new ATOM 0 HB2 LEU A 23 3.589 -3.452 5.812 1.00 14.41 H new ATOM 0 HB3 LEU A 23 3.660 -3.465 4.061 1.00 14.41 H new ATOM 0 HG LEU A 23 3.357 -6.040 5.536 1.00 52.13 H new ATOM 0 HD11 LEU A 23 0.822 -5.673 5.406 1.00 73.34 H new ATOM 0 HD12 LEU A 23 1.598 -4.453 6.443 1.00 73.34 H new ATOM 0 HD13 LEU A 23 1.126 -4.036 4.779 1.00 73.34 H new ATOM 0 HD21 LEU A 23 1.956 -6.684 3.583 1.00 32.43 H new ATOM 0 HD22 LEU A 23 2.206 -5.066 2.887 1.00 32.43 H new ATOM 0 HD23 LEU A 23 3.587 -6.170 3.091 1.00 32.43 H new ATOM 339 N GLU A 24 6.131 -6.543 4.290 1.00 52.33 N ATOM 340 CA GLU A 24 6.689 -7.597 3.453 1.00 2.22 C ATOM 341 C GLU A 24 5.589 -8.572 3.071 1.00 42.33 C ATOM 342 O GLU A 24 4.678 -8.828 3.868 1.00 43.42 O ATOM 343 CB GLU A 24 7.767 -8.373 4.226 1.00 65.23 C ATOM 344 CG GLU A 24 8.853 -7.433 4.734 1.00 54.52 C ATOM 345 CD GLU A 24 9.964 -8.137 5.513 1.00 32.33 C ATOM 346 OE1 GLU A 24 10.856 -8.764 4.911 1.00 62.12 O ATOM 347 OE2 GLU A 24 10.101 -7.873 6.731 1.00 34.02 O ATOM 0 H GLU A 24 6.015 -6.848 5.256 1.00 52.33 H new ATOM 0 HA GLU A 24 7.126 -7.141 2.564 1.00 2.22 H new ATOM 0 HB2 GLU A 24 7.312 -8.897 5.066 1.00 65.23 H new ATOM 0 HB3 GLU A 24 8.209 -9.131 3.580 1.00 65.23 H new ATOM 0 HG2 GLU A 24 9.293 -6.909 3.885 1.00 54.52 H new ATOM 0 HG3 GLU A 24 8.396 -6.677 5.373 1.00 54.52 H new ATOM 352 N ILE A 25 5.694 -9.127 1.867 1.00 4.31 N ATOM 353 CA ILE A 25 4.724 -9.993 1.213 1.00 23.44 C ATOM 354 C ILE A 25 5.533 -11.132 0.604 1.00 52.13 C ATOM 355 O ILE A 25 6.633 -10.900 0.092 1.00 2.14 O ATOM 356 CB ILE A 25 3.968 -9.168 0.141 1.00 72.13 C ATOM 357 CG1 ILE A 25 3.082 -8.103 0.825 1.00 44.51 C ATOM 358 CG2 ILE A 25 3.057 -10.037 -0.744 1.00 31.21 C ATOM 359 CD1 ILE A 25 3.041 -6.767 0.093 1.00 52.24 C ATOM 0 H ILE A 25 6.517 -8.971 1.284 1.00 4.31 H new ATOM 0 HA ILE A 25 3.973 -10.395 1.893 1.00 23.44 H new ATOM 0 HB ILE A 25 4.730 -8.709 -0.488 1.00 72.13 H new ATOM 0 HG12 ILE A 25 2.067 -8.490 0.910 1.00 44.51 H new ATOM 0 HG13 ILE A 25 3.447 -7.939 1.839 1.00 44.51 H new ATOM 0 HG21 ILE A 25 2.553 -9.407 -1.476 1.00 31.21 H new ATOM 0 HG22 ILE A 25 3.658 -10.785 -1.261 1.00 31.21 H new ATOM 0 HG23 ILE A 25 2.314 -10.536 -0.122 1.00 31.21 H new ATOM 0 HD11 ILE A 25 2.398 -6.074 0.636 1.00 52.24 H new ATOM 0 HD12 ILE A 25 4.048 -6.355 0.031 1.00 52.24 H new ATOM 0 HD13 ILE A 25 2.647 -6.915 -0.912 1.00 52.24 H new ATOM 370 N SER A 26 4.988 -12.342 0.630 1.00 31.35 N ATOM 371 CA SER A 26 5.528 -13.490 -0.070 1.00 2.33 C ATOM 372 C SER A 26 4.409 -14.078 -0.907 1.00 71.44 C ATOM 373 O SER A 26 3.229 -13.875 -0.601 1.00 32.34 O ATOM 374 CB SER A 26 6.119 -14.462 0.971 1.00 33.33 C ATOM 375 OG SER A 26 6.781 -15.599 0.427 1.00 4.25 O ATOM 0 H SER A 26 4.138 -12.552 1.153 1.00 31.35 H new ATOM 0 HA SER A 26 6.343 -13.237 -0.749 1.00 2.33 H new ATOM 0 HB2 SER A 26 6.824 -13.915 1.597 1.00 33.33 H new ATOM 0 HB3 SER A 26 5.315 -14.806 1.622 1.00 33.33 H new ATOM 0 HG SER A 26 7.125 -16.157 1.156 1.00 4.25 H new ATOM 380 N PHE A 27 4.810 -14.790 -1.960 1.00 14.14 N ATOM 381 CA PHE A 27 3.897 -15.472 -2.859 1.00 1.45 C ATOM 382 C PHE A 27 4.263 -16.933 -3.056 1.00 5.22 C ATOM 383 O PHE A 27 5.440 -17.286 -3.179 1.00 4.31 O ATOM 384 CB PHE A 27 3.818 -14.750 -4.198 1.00 45.10 C ATOM 385 CG PHE A 27 2.777 -13.658 -4.258 1.00 24.42 C ATOM 386 CD1 PHE A 27 1.467 -13.892 -3.801 1.00 3.13 C ATOM 387 CD2 PHE A 27 3.084 -12.449 -4.894 1.00 63.02 C ATOM 388 CE1 PHE A 27 0.453 -12.957 -4.039 1.00 41.42 C ATOM 389 CE2 PHE A 27 2.066 -11.511 -5.131 1.00 45.50 C ATOM 390 CZ PHE A 27 0.744 -11.784 -4.749 1.00 73.14 C ATOM 0 H PHE A 27 5.792 -14.907 -2.210 1.00 14.14 H new ATOM 0 HA PHE A 27 2.913 -15.450 -2.391 1.00 1.45 H new ATOM 0 HB2 PHE A 27 4.793 -14.318 -4.422 1.00 45.10 H new ATOM 0 HB3 PHE A 27 3.606 -15.480 -4.979 1.00 45.10 H new ATOM 0 HD1 PHE A 27 1.242 -14.801 -3.262 1.00 3.13 H new ATOM 0 HD2 PHE A 27 4.098 -12.239 -5.201 1.00 63.02 H new ATOM 0 HE1 PHE A 27 -0.548 -13.138 -3.677 1.00 41.42 H new ATOM 0 HE2 PHE A 27 2.303 -10.573 -5.611 1.00 45.50 H new ATOM 0 HZ PHE A 27 -0.047 -11.093 -5.001 1.00 73.14 H new ATOM 399 N ASP A 28 3.224 -17.774 -3.161 1.00 13.51 N ATOM 400 CA ASP A 28 3.333 -19.230 -3.049 1.00 54.54 C ATOM 401 C ASP A 28 4.007 -19.824 -4.297 1.00 53.32 C ATOM 402 O ASP A 28 4.410 -20.985 -4.304 1.00 1.31 O ATOM 403 CB ASP A 28 1.950 -19.861 -2.801 1.00 30.23 C ATOM 404 CG ASP A 28 2.048 -21.259 -2.167 1.00 64.20 C ATOM 405 OD1 ASP A 28 2.846 -21.413 -1.209 1.00 22.12 O ATOM 406 OD2 ASP A 28 1.280 -22.174 -2.531 1.00 74.14 O ATOM 0 H ASP A 28 2.270 -17.453 -3.329 1.00 13.51 H new ATOM 0 HA ASP A 28 3.963 -19.464 -2.191 1.00 54.54 H new ATOM 0 HB2 ASP A 28 1.368 -19.209 -2.149 1.00 30.23 H new ATOM 0 HB3 ASP A 28 1.411 -19.931 -3.746 1.00 30.23 H new ATOM 410 N ASN A 29 4.152 -19.017 -5.359 1.00 74.32 N ATOM 411 CA ASN A 29 4.805 -19.354 -6.629 1.00 32.32 C ATOM 412 C ASN A 29 6.300 -19.015 -6.667 1.00 70.11 C ATOM 413 O ASN A 29 6.942 -19.308 -7.671 1.00 1.03 O ATOM 414 CB ASN A 29 4.105 -18.654 -7.811 1.00 64.44 C ATOM 415 CG ASN A 29 4.710 -17.296 -8.180 1.00 1.25 C ATOM 416 OD1 ASN A 29 5.447 -17.142 -9.141 1.00 25.24 O ATOM 417 ND2 ASN A 29 4.416 -16.256 -7.422 1.00 33.52 N ATOM 0 H ASN A 29 3.797 -18.061 -5.352 1.00 74.32 H new ATOM 0 HA ASN A 29 4.714 -20.437 -6.718 1.00 32.32 H new ATOM 0 HB2 ASN A 29 4.147 -19.307 -8.683 1.00 64.44 H new ATOM 0 HB3 ASN A 29 3.052 -18.516 -7.566 1.00 64.44 H new ATOM 0 HD21 ASN A 29 4.803 -15.338 -7.642 1.00 33.52 H new ATOM 0 HD22 ASN A 29 3.802 -16.370 -6.616 1.00 33.52 H new ATOM 423 N GLY A 30 6.844 -18.382 -5.621 1.00 34.25 N ATOM 424 CA GLY A 30 8.256 -18.026 -5.554 1.00 73.11 C ATOM 425 C GLY A 30 8.510 -16.571 -5.941 1.00 70.01 C ATOM 426 O GLY A 30 9.342 -16.282 -6.800 1.00 1.32 O ATOM 0 H GLY A 30 6.311 -18.104 -4.797 1.00 34.25 H new ATOM 0 HA2 GLY A 30 8.624 -18.199 -4.543 1.00 73.11 H new ATOM 0 HA3 GLY A 30 8.824 -18.679 -6.216 1.00 73.11 H new ATOM 430 N GLN A 31 7.818 -15.627 -5.294 1.00 74.13 N ATOM 431 CA GLN A 31 8.164 -14.205 -5.316 1.00 71.01 C ATOM 432 C GLN A 31 8.107 -13.667 -3.878 1.00 33.02 C ATOM 433 O GLN A 31 7.570 -14.343 -2.990 1.00 73.12 O ATOM 434 CB GLN A 31 7.248 -13.434 -6.295 1.00 74.30 C ATOM 435 CG GLN A 31 7.414 -13.780 -7.788 1.00 2.43 C ATOM 436 CD GLN A 31 8.709 -13.249 -8.411 1.00 62.30 C ATOM 437 OE1 GLN A 31 8.699 -12.305 -9.203 1.00 61.41 O ATOM 438 NE2 GLN A 31 9.852 -13.843 -8.105 1.00 13.45 N ATOM 0 H GLN A 31 6.991 -15.834 -4.733 1.00 74.13 H new ATOM 0 HA GLN A 31 9.178 -14.061 -5.688 1.00 71.01 H new ATOM 0 HB2 GLN A 31 6.211 -13.618 -6.013 1.00 74.30 H new ATOM 0 HB3 GLN A 31 7.429 -12.367 -6.167 1.00 74.30 H new ATOM 0 HG2 GLN A 31 7.384 -14.863 -7.905 1.00 2.43 H new ATOM 0 HG3 GLN A 31 6.565 -13.377 -8.340 1.00 2.43 H new ATOM 0 HE21 GLN A 31 9.861 -14.624 -7.450 1.00 13.45 H new ATOM 0 HE22 GLN A 31 10.723 -13.519 -8.525 1.00 13.45 H new ATOM 445 N GLN A 32 8.707 -12.496 -3.633 1.00 33.31 N ATOM 446 CA GLN A 32 8.847 -11.885 -2.309 1.00 45.40 C ATOM 447 C GLN A 32 9.190 -10.404 -2.484 1.00 73.11 C ATOM 448 O GLN A 32 10.175 -10.086 -3.147 1.00 70.11 O ATOM 449 CB GLN A 32 9.944 -12.622 -1.502 1.00 10.51 C ATOM 450 CG GLN A 32 9.353 -13.484 -0.376 1.00 14.34 C ATOM 451 CD GLN A 32 9.877 -14.911 -0.343 1.00 23.45 C ATOM 452 OE1 GLN A 32 10.639 -15.323 0.529 1.00 42.50 O ATOM 453 NE2 GLN A 32 9.375 -15.737 -1.247 1.00 41.42 N ATOM 0 H GLN A 32 9.121 -11.931 -4.375 1.00 33.31 H new ATOM 0 HA GLN A 32 7.913 -11.968 -1.754 1.00 45.40 H new ATOM 0 HB2 GLN A 32 10.525 -13.253 -2.174 1.00 10.51 H new ATOM 0 HB3 GLN A 32 10.632 -11.892 -1.076 1.00 10.51 H new ATOM 0 HG2 GLN A 32 9.567 -13.008 0.581 1.00 14.34 H new ATOM 0 HG3 GLN A 32 8.269 -13.509 -0.484 1.00 14.34 H new ATOM 0 HE21 GLN A 32 8.744 -15.384 -1.966 1.00 41.42 H new ATOM 0 HE22 GLN A 32 9.619 -16.727 -1.225 1.00 41.42 H new ATOM 460 N PHE A 33 8.382 -9.500 -1.924 1.00 42.31 N ATOM 461 CA PHE A 33 8.543 -8.050 -2.076 1.00 4.45 C ATOM 462 C PHE A 33 8.075 -7.314 -0.820 1.00 45.20 C ATOM 463 O PHE A 33 7.742 -7.932 0.192 1.00 33.42 O ATOM 464 CB PHE A 33 7.812 -7.541 -3.326 1.00 13.52 C ATOM 465 CG PHE A 33 6.356 -7.925 -3.453 1.00 53.24 C ATOM 466 CD1 PHE A 33 5.349 -7.156 -2.841 1.00 25.04 C ATOM 467 CD2 PHE A 33 6.005 -8.973 -4.314 1.00 2.35 C ATOM 468 CE1 PHE A 33 3.999 -7.418 -3.128 1.00 23.42 C ATOM 469 CE2 PHE A 33 4.654 -9.252 -4.566 1.00 2.13 C ATOM 470 CZ PHE A 33 3.646 -8.481 -3.968 1.00 71.30 C ATOM 0 H PHE A 33 7.585 -9.758 -1.343 1.00 42.31 H new ATOM 0 HA PHE A 33 9.605 -7.841 -2.208 1.00 4.45 H new ATOM 0 HB2 PHE A 33 7.882 -6.453 -3.344 1.00 13.52 H new ATOM 0 HB3 PHE A 33 8.341 -7.909 -4.205 1.00 13.52 H new ATOM 0 HD1 PHE A 33 5.613 -6.367 -2.153 1.00 25.04 H new ATOM 0 HD2 PHE A 33 6.775 -9.566 -4.784 1.00 2.35 H new ATOM 0 HE1 PHE A 33 3.228 -6.795 -2.698 1.00 23.42 H new ATOM 0 HE2 PHE A 33 4.388 -10.066 -5.225 1.00 2.13 H new ATOM 0 HZ PHE A 33 2.606 -8.706 -4.154 1.00 71.30 H new ATOM 479 N THR A 34 8.107 -5.980 -0.827 1.00 63.24 N ATOM 480 CA THR A 34 7.804 -5.148 0.326 1.00 33.05 C ATOM 481 C THR A 34 7.238 -3.806 -0.161 1.00 34.03 C ATOM 482 O THR A 34 7.630 -3.339 -1.228 1.00 71.33 O ATOM 483 CB THR A 34 9.115 -4.965 1.112 1.00 23.24 C ATOM 484 OG1 THR A 34 9.699 -6.217 1.456 1.00 61.13 O ATOM 485 CG2 THR A 34 8.991 -4.187 2.420 1.00 14.14 C ATOM 0 H THR A 34 8.351 -5.441 -1.658 1.00 63.24 H new ATOM 0 HA THR A 34 7.056 -5.603 0.975 1.00 33.05 H new ATOM 0 HB THR A 34 9.730 -4.390 0.420 1.00 23.24 H new ATOM 0 HG1 THR A 34 10.530 -6.065 1.953 1.00 61.13 H new ATOM 0 HG21 THR A 34 9.970 -4.115 2.895 1.00 14.14 H new ATOM 0 HG22 THR A 34 8.613 -3.186 2.213 1.00 14.14 H new ATOM 0 HG23 THR A 34 8.301 -4.704 3.087 1.00 14.14 H new ATOM 493 N LEU A 35 6.338 -3.191 0.617 1.00 20.24 N ATOM 494 CA LEU A 35 5.694 -1.901 0.354 1.00 24.43 C ATOM 495 C LEU A 35 5.568 -1.044 1.614 1.00 22.11 C ATOM 496 O LEU A 35 5.510 -1.555 2.736 1.00 32.43 O ATOM 497 CB LEU A 35 4.280 -2.161 -0.172 1.00 0.53 C ATOM 498 CG LEU A 35 4.246 -2.479 -1.672 1.00 55.21 C ATOM 499 CD1 LEU A 35 2.979 -3.268 -1.959 1.00 1.15 C ATOM 500 CD2 LEU A 35 4.223 -1.197 -2.499 1.00 63.00 C ATOM 0 H LEU A 35 6.023 -3.604 1.495 1.00 20.24 H new ATOM 0 HA LEU A 35 6.313 -1.366 -0.367 1.00 24.43 H new ATOM 0 HB2 LEU A 35 3.840 -2.992 0.380 1.00 0.53 H new ATOM 0 HB3 LEU A 35 3.660 -1.286 0.022 1.00 0.53 H new ATOM 0 HG LEU A 35 5.136 -3.048 -1.938 1.00 55.21 H new ATOM 0 HD11 LEU A 35 2.932 -3.507 -3.022 1.00 1.15 H new ATOM 0 HD12 LEU A 35 2.986 -4.191 -1.380 1.00 1.15 H new ATOM 0 HD13 LEU A 35 2.109 -2.673 -1.682 1.00 1.15 H new ATOM 0 HD21 LEU A 35 4.199 -1.448 -3.559 1.00 63.00 H new ATOM 0 HD22 LEU A 35 3.337 -0.615 -2.244 1.00 63.00 H new ATOM 0 HD23 LEU A 35 5.116 -0.610 -2.285 1.00 63.00 H new ATOM 511 N SER A 36 5.436 0.269 1.446 1.00 42.53 N ATOM 512 CA SER A 36 5.455 1.277 2.504 1.00 71.23 C ATOM 513 C SER A 36 4.047 1.567 3.015 1.00 2.43 C ATOM 514 O SER A 36 3.087 1.530 2.244 1.00 41.55 O ATOM 515 CB SER A 36 6.107 2.562 1.966 1.00 54.24 C ATOM 516 OG SER A 36 5.938 2.715 0.566 1.00 4.30 O ATOM 0 H SER A 36 5.306 0.680 0.522 1.00 42.53 H new ATOM 0 HA SER A 36 6.037 0.896 3.343 1.00 71.23 H new ATOM 0 HB2 SER A 36 5.677 3.424 2.476 1.00 54.24 H new ATOM 0 HB3 SER A 36 7.171 2.551 2.201 1.00 54.24 H new ATOM 0 HG SER A 36 6.368 3.546 0.273 1.00 4.30 H new ATOM 521 N CYS A 37 3.899 1.897 4.310 1.00 20.42 N ATOM 522 CA CYS A 37 2.597 2.347 4.825 1.00 71.12 C ATOM 523 C CYS A 37 2.110 3.618 4.141 1.00 53.13 C ATOM 524 O CYS A 37 0.898 3.810 4.042 1.00 15.10 O ATOM 525 CB CYS A 37 2.613 2.596 6.333 1.00 53.52 C ATOM 526 SG CYS A 37 2.476 1.020 7.193 1.00 41.51 S ATOM 0 H CYS A 37 4.646 1.862 5.004 1.00 20.42 H new ATOM 0 HA CYS A 37 1.914 1.527 4.603 1.00 71.12 H new ATOM 0 HB2 CYS A 37 3.534 3.102 6.621 1.00 53.52 H new ATOM 0 HB3 CYS A 37 1.788 3.251 6.615 1.00 53.52 H new ATOM 0 HG CYS A 37 3.660 0.505 7.346 1.00 41.51 H new ATOM 531 N GLU A 38 3.032 4.466 3.690 1.00 4.43 N ATOM 532 CA GLU A 38 2.721 5.638 2.892 1.00 34.30 C ATOM 533 C GLU A 38 2.038 5.215 1.586 1.00 3.53 C ATOM 534 O GLU A 38 0.864 5.538 1.400 1.00 13.11 O ATOM 535 CB GLU A 38 4.008 6.442 2.694 1.00 34.41 C ATOM 536 CG GLU A 38 3.931 7.572 1.660 1.00 15.52 C ATOM 537 CD GLU A 38 5.179 8.447 1.757 1.00 63.24 C ATOM 538 OE1 GLU A 38 6.283 7.869 1.627 1.00 72.22 O ATOM 539 OE2 GLU A 38 5.013 9.669 2.008 1.00 62.12 O ATOM 0 H GLU A 38 4.029 4.352 3.874 1.00 4.43 H new ATOM 0 HA GLU A 38 2.008 6.290 3.396 1.00 34.30 H new ATOM 0 HB2 GLU A 38 4.299 6.871 3.653 1.00 34.41 H new ATOM 0 HB3 GLU A 38 4.802 5.756 2.398 1.00 34.41 H new ATOM 0 HG2 GLU A 38 3.845 7.154 0.657 1.00 15.52 H new ATOM 0 HG3 GLU A 38 3.039 8.174 1.832 1.00 15.52 H new ATOM 544 N LEU A 39 2.727 4.456 0.721 1.00 71.01 N ATOM 545 CA LEU A 39 2.191 4.030 -0.572 1.00 2.32 C ATOM 546 C LEU A 39 0.867 3.289 -0.401 1.00 62.34 C ATOM 547 O LEU A 39 -0.082 3.569 -1.127 1.00 41.34 O ATOM 548 CB LEU A 39 3.201 3.186 -1.359 1.00 22.03 C ATOM 549 CG LEU A 39 2.837 3.220 -2.859 1.00 32.01 C ATOM 550 CD1 LEU A 39 3.461 4.455 -3.521 1.00 55.01 C ATOM 551 CD2 LEU A 39 3.291 1.938 -3.554 1.00 34.25 C ATOM 0 H LEU A 39 3.673 4.122 0.903 1.00 71.01 H new ATOM 0 HA LEU A 39 2.000 4.931 -1.156 1.00 2.32 H new ATOM 0 HB2 LEU A 39 4.209 3.572 -1.209 1.00 22.03 H new ATOM 0 HB3 LEU A 39 3.195 2.159 -0.995 1.00 22.03 H new ATOM 0 HG LEU A 39 1.753 3.285 -2.957 1.00 32.01 H new ATOM 0 HD11 LEU A 39 3.200 4.472 -4.579 1.00 55.01 H new ATOM 0 HD12 LEU A 39 3.082 5.356 -3.039 1.00 55.01 H new ATOM 0 HD13 LEU A 39 4.545 4.416 -3.416 1.00 55.01 H new ATOM 0 HD21 LEU A 39 3.025 1.983 -4.610 1.00 34.25 H new ATOM 0 HD22 LEU A 39 4.372 1.834 -3.456 1.00 34.25 H new ATOM 0 HD23 LEU A 39 2.801 1.081 -3.092 1.00 34.25 H new ATOM 562 N LEU A 40 0.770 2.414 0.608 1.00 51.33 N ATOM 563 CA LEU A 40 -0.465 1.706 0.956 1.00 44.54 C ATOM 564 C LEU A 40 -1.638 2.687 1.134 1.00 33.02 C ATOM 565 O LEU A 40 -2.742 2.391 0.686 1.00 54.12 O ATOM 566 CB LEU A 40 -0.250 0.813 2.211 1.00 61.31 C ATOM 567 CG LEU A 40 0.201 -0.664 2.012 1.00 14.51 C ATOM 568 CD1 LEU A 40 0.946 -0.920 0.694 1.00 55.11 C ATOM 569 CD2 LEU A 40 1.100 -1.156 3.170 1.00 75.02 C ATOM 0 H LEU A 40 1.557 2.176 1.212 1.00 51.33 H new ATOM 0 HA LEU A 40 -0.729 1.047 0.129 1.00 44.54 H new ATOM 0 HB2 LEU A 40 0.492 1.303 2.841 1.00 61.31 H new ATOM 0 HB3 LEU A 40 -1.185 0.800 2.771 1.00 61.31 H new ATOM 0 HG LEU A 40 -0.735 -1.222 1.990 1.00 14.51 H new ATOM 0 HD11 LEU A 40 1.226 -1.972 0.632 1.00 55.11 H new ATOM 0 HD12 LEU A 40 0.298 -0.667 -0.145 1.00 55.11 H new ATOM 0 HD13 LEU A 40 1.844 -0.303 0.658 1.00 55.11 H new ATOM 0 HD21 LEU A 40 1.391 -2.191 2.990 1.00 75.02 H new ATOM 0 HD22 LEU A 40 1.992 -0.533 3.228 1.00 75.02 H new ATOM 0 HD23 LEU A 40 0.551 -1.092 4.109 1.00 75.02 H new ATOM 580 N ARG A 41 -1.434 3.855 1.758 1.00 75.05 N ATOM 581 CA ARG A 41 -2.526 4.803 1.984 1.00 55.14 C ATOM 582 C ARG A 41 -2.808 5.686 0.781 1.00 44.42 C ATOM 583 O ARG A 41 -3.964 6.037 0.551 1.00 32.41 O ATOM 584 CB ARG A 41 -2.218 5.725 3.167 1.00 72.15 C ATOM 585 CG ARG A 41 -3.386 5.755 4.153 1.00 2.34 C ATOM 586 CD ARG A 41 -4.643 6.463 3.638 1.00 2.31 C ATOM 587 NE ARG A 41 -5.603 6.586 4.739 1.00 75.15 N ATOM 588 CZ ARG A 41 -6.051 7.690 5.335 1.00 52.15 C ATOM 589 NH1 ARG A 41 -5.860 8.905 4.819 1.00 43.15 N ATOM 590 NH2 ARG A 41 -6.688 7.535 6.484 1.00 75.15 N ATOM 0 H ARG A 41 -0.528 4.162 2.112 1.00 75.05 H new ATOM 0 HA ARG A 41 -3.402 4.186 2.184 1.00 55.14 H new ATOM 0 HB2 ARG A 41 -1.316 5.383 3.675 1.00 72.15 H new ATOM 0 HB3 ARG A 41 -2.016 6.733 2.805 1.00 72.15 H new ATOM 0 HG2 ARG A 41 -3.646 4.730 4.418 1.00 2.34 H new ATOM 0 HG3 ARG A 41 -3.058 6.247 5.068 1.00 2.34 H new ATOM 0 HD2 ARG A 41 -4.388 7.449 3.248 1.00 2.31 H new ATOM 0 HD3 ARG A 41 -5.083 5.899 2.815 1.00 2.31 H new ATOM 0 HE ARG A 41 -5.979 5.708 5.097 1.00 75.15 H new ATOM 0 HH11 ARG A 41 -5.356 9.012 3.939 1.00 43.15 H new ATOM 0 HH12 ARG A 41 -6.218 9.727 5.305 1.00 43.15 H new ATOM 0 HH21 ARG A 41 -6.817 6.601 6.874 1.00 75.15 H new ATOM 0 HH22 ARG A 41 -7.050 8.349 6.980 1.00 75.15 H new ATOM 601 N VAL A 42 -1.772 6.171 0.093 1.00 4.41 N ATOM 602 CA VAL A 42 -2.002 7.042 -1.058 1.00 32.13 C ATOM 603 C VAL A 42 -2.703 6.205 -2.125 1.00 1.11 C ATOM 604 O VAL A 42 -3.677 6.672 -2.713 1.00 71.12 O ATOM 605 CB VAL A 42 -0.718 7.751 -1.538 1.00 43.41 C ATOM 606 CG1 VAL A 42 -0.025 8.449 -0.362 1.00 35.41 C ATOM 607 CG2 VAL A 42 0.249 6.847 -2.298 1.00 23.13 C ATOM 0 H VAL A 42 -0.792 5.982 0.305 1.00 4.41 H new ATOM 0 HA VAL A 42 -2.648 7.877 -0.787 1.00 32.13 H new ATOM 0 HB VAL A 42 -1.036 8.498 -2.265 1.00 43.41 H new ATOM 0 HG11 VAL A 42 0.879 8.945 -0.715 1.00 35.41 H new ATOM 0 HG12 VAL A 42 -0.699 9.188 0.071 1.00 35.41 H new ATOM 0 HG13 VAL A 42 0.238 7.711 0.395 1.00 35.41 H new ATOM 0 HG21 VAL A 42 1.124 7.422 -2.600 1.00 23.13 H new ATOM 0 HG22 VAL A 42 0.560 6.024 -1.654 1.00 23.13 H new ATOM 0 HG23 VAL A 42 -0.246 6.448 -3.184 1.00 23.13 H new ATOM 617 N TYR A 43 -2.269 4.962 -2.336 1.00 71.01 N ATOM 618 CA TYR A 43 -2.794 4.080 -3.357 1.00 60.25 C ATOM 619 C TYR A 43 -3.650 3.017 -2.671 1.00 43.24 C ATOM 620 O TYR A 43 -3.311 1.835 -2.680 1.00 72.01 O ATOM 621 CB TYR A 43 -1.641 3.525 -4.207 1.00 24.13 C ATOM 622 CG TYR A 43 -2.015 3.176 -5.642 1.00 52.32 C ATOM 623 CD1 TYR A 43 -3.208 2.497 -5.956 1.00 34.13 C ATOM 624 CD2 TYR A 43 -1.126 3.521 -6.675 1.00 54.24 C ATOM 625 CE1 TYR A 43 -3.497 2.175 -7.294 1.00 12.03 C ATOM 626 CE2 TYR A 43 -1.394 3.191 -8.020 1.00 71.41 C ATOM 627 CZ TYR A 43 -2.591 2.503 -8.328 1.00 15.24 C ATOM 628 OH TYR A 43 -2.902 2.134 -9.603 1.00 61.32 O ATOM 0 H TYR A 43 -1.524 4.538 -1.783 1.00 71.01 H new ATOM 0 HA TYR A 43 -3.441 4.604 -4.060 1.00 60.25 H new ATOM 0 HB2 TYR A 43 -0.835 4.259 -4.225 1.00 24.13 H new ATOM 0 HB3 TYR A 43 -1.248 2.632 -3.722 1.00 24.13 H new ATOM 0 HD1 TYR A 43 -3.899 2.224 -5.172 1.00 34.13 H new ATOM 0 HD2 TYR A 43 -0.217 4.051 -6.433 1.00 54.24 H new ATOM 0 HE1 TYR A 43 -4.422 1.671 -7.534 1.00 12.03 H new ATOM 0 HE2 TYR A 43 -0.698 3.459 -8.801 1.00 71.41 H new ATOM 0 HH TYR A 43 -2.190 2.425 -10.211 1.00 61.32 H new ATOM 637 N SER A 44 -4.763 3.419 -2.059 1.00 35.01 N ATOM 638 CA SER A 44 -5.725 2.504 -1.469 1.00 41.33 C ATOM 639 C SER A 44 -6.391 1.616 -2.538 1.00 4.42 C ATOM 640 O SER A 44 -6.526 2.031 -3.698 1.00 55.11 O ATOM 641 CB SER A 44 -6.774 3.336 -0.728 1.00 41.23 C ATOM 642 OG SER A 44 -6.142 4.008 0.344 1.00 12.53 O ATOM 0 H SER A 44 -5.020 4.401 -1.961 1.00 35.01 H new ATOM 0 HA SER A 44 -5.214 1.834 -0.778 1.00 41.33 H new ATOM 0 HB2 SER A 44 -7.235 4.055 -1.406 1.00 41.23 H new ATOM 0 HB3 SER A 44 -7.571 2.694 -0.354 1.00 41.23 H new ATOM 0 HG SER A 44 -5.535 4.691 -0.010 1.00 12.53 H new ATOM 647 N PRO A 45 -6.880 0.422 -2.159 1.00 63.30 N ATOM 648 CA PRO A 45 -7.596 -0.458 -3.069 1.00 20.03 C ATOM 649 C PRO A 45 -9.003 0.065 -3.349 1.00 40.52 C ATOM 650 O PRO A 45 -9.539 -0.180 -4.430 1.00 0.33 O ATOM 651 CB PRO A 45 -7.648 -1.821 -2.384 1.00 44.11 C ATOM 652 CG PRO A 45 -7.487 -1.517 -0.900 1.00 4.12 C ATOM 653 CD PRO A 45 -6.790 -0.162 -0.832 1.00 3.55 C ATOM 0 HA PRO A 45 -7.094 -0.517 -4.035 1.00 20.03 H new ATOM 0 HB2 PRO A 45 -8.592 -2.328 -2.584 1.00 44.11 H new ATOM 0 HB3 PRO A 45 -6.853 -2.475 -2.742 1.00 44.11 H new ATOM 0 HG2 PRO A 45 -8.455 -1.486 -0.399 1.00 4.12 H new ATOM 0 HG3 PRO A 45 -6.896 -2.287 -0.404 1.00 4.12 H new ATOM 0 HD2 PRO A 45 -7.267 0.482 -0.093 1.00 3.55 H new ATOM 0 HD3 PRO A 45 -5.749 -0.277 -0.530 1.00 3.55 H new ATOM 658 N SER A 46 -9.585 0.821 -2.418 1.00 63.31 N ATOM 659 CA SER A 46 -10.881 1.458 -2.570 1.00 53.41 C ATOM 660 C SER A 46 -10.781 2.763 -1.795 1.00 52.32 C ATOM 661 O SER A 46 -10.729 2.722 -0.566 1.00 43.40 O ATOM 662 CB SER A 46 -12.034 0.580 -2.045 1.00 42.12 C ATOM 663 OG SER A 46 -11.822 -0.803 -2.271 1.00 35.31 O ATOM 0 H SER A 46 -9.151 1.009 -1.514 1.00 63.31 H new ATOM 0 HA SER A 46 -11.113 1.624 -3.622 1.00 53.41 H new ATOM 0 HB2 SER A 46 -12.158 0.753 -0.976 1.00 42.12 H new ATOM 0 HB3 SER A 46 -12.963 0.883 -2.527 1.00 42.12 H new ATOM 0 HG SER A 46 -12.581 -1.312 -1.918 1.00 35.31 H new ATOM 668 N ALA A 47 -10.665 3.898 -2.487 1.00 13.21 N ATOM 669 CA ALA A 47 -10.872 5.183 -1.839 1.00 35.21 C ATOM 670 C ALA A 47 -12.323 5.576 -2.077 1.00 0.10 C ATOM 671 O ALA A 47 -13.182 5.111 -1.330 1.00 61.01 O ATOM 672 CB ALA A 47 -9.880 6.197 -2.389 1.00 63.23 C ATOM 0 H ALA A 47 -10.433 3.949 -3.479 1.00 13.21 H new ATOM 0 HA ALA A 47 -10.695 5.137 -0.764 1.00 35.21 H new ATOM 0 HB1 ALA A 47 -10.036 7.160 -1.902 1.00 63.23 H new ATOM 0 HB2 ALA A 47 -8.864 5.854 -2.196 1.00 63.23 H new ATOM 0 HB3 ALA A 47 -10.028 6.305 -3.463 1.00 63.23 H new ATOM 678 N GLU A 48 -12.648 6.235 -3.195 1.00 40.54 N ATOM 679 CA GLU A 48 -13.986 6.750 -3.480 1.00 73.15 C ATOM 680 C GLU A 48 -14.385 6.489 -4.934 1.00 23.20 C ATOM 681 O GLU A 48 -15.238 7.166 -5.504 1.00 15.32 O ATOM 682 CB GLU A 48 -14.092 8.245 -3.135 1.00 35.23 C ATOM 683 CG GLU A 48 -13.309 8.650 -1.879 1.00 24.13 C ATOM 684 CD GLU A 48 -13.821 9.923 -1.195 1.00 20.14 C ATOM 685 OE1 GLU A 48 -14.977 10.346 -1.432 1.00 20.00 O ATOM 686 OE2 GLU A 48 -13.107 10.449 -0.308 1.00 43.51 O ATOM 0 H GLU A 48 -11.975 6.427 -3.937 1.00 40.54 H new ATOM 0 HA GLU A 48 -14.688 6.211 -2.844 1.00 73.15 H new ATOM 0 HB2 GLU A 48 -13.730 8.830 -3.981 1.00 35.23 H new ATOM 0 HB3 GLU A 48 -15.142 8.502 -2.995 1.00 35.23 H new ATOM 0 HG2 GLU A 48 -13.344 7.829 -1.163 1.00 24.13 H new ATOM 0 HG3 GLU A 48 -12.263 8.793 -2.149 1.00 24.13 H new ATOM 691 N VAL A 49 -13.762 5.477 -5.524 1.00 23.42 N ATOM 692 CA VAL A 49 -13.970 5.045 -6.896 1.00 63.15 C ATOM 693 C VAL A 49 -15.374 4.446 -7.005 1.00 11.25 C ATOM 694 O VAL A 49 -16.034 4.594 -8.031 1.00 4.24 O ATOM 695 CB VAL A 49 -12.866 4.022 -7.257 1.00 24.02 C ATOM 696 CG1 VAL A 49 -12.862 3.655 -8.741 1.00 12.32 C ATOM 697 CG2 VAL A 49 -11.469 4.555 -6.893 1.00 3.33 C ATOM 0 H VAL A 49 -13.068 4.911 -5.036 1.00 23.42 H new ATOM 0 HA VAL A 49 -13.903 5.875 -7.599 1.00 63.15 H new ATOM 0 HB VAL A 49 -13.095 3.130 -6.674 1.00 24.02 H new ATOM 0 HG11 VAL A 49 -12.067 2.935 -8.936 1.00 12.32 H new ATOM 0 HG12 VAL A 49 -13.823 3.217 -9.010 1.00 12.32 H new ATOM 0 HG13 VAL A 49 -12.693 4.552 -9.337 1.00 12.32 H new ATOM 0 HG21 VAL A 49 -10.716 3.813 -7.159 1.00 3.33 H new ATOM 0 HG22 VAL A 49 -11.278 5.478 -7.440 1.00 3.33 H new ATOM 0 HG23 VAL A 49 -11.422 4.752 -5.822 1.00 3.33 H new ATOM 707 N HIS A 50 -15.799 3.746 -5.944 1.00 32.42 N ATOM 708 CA HIS A 50 -17.034 2.990 -5.832 1.00 74.13 C ATOM 709 C HIS A 50 -17.266 2.177 -7.111 1.00 54.41 C ATOM 710 O HIS A 50 -18.301 2.271 -7.778 1.00 24.03 O ATOM 711 CB HIS A 50 -18.194 3.892 -5.376 1.00 3.15 C ATOM 712 CG HIS A 50 -19.262 3.147 -4.609 1.00 40.13 C ATOM 713 ND1 HIS A 50 -20.622 3.255 -4.794 1.00 72.12 N ATOM 714 CD2 HIS A 50 -19.058 2.286 -3.560 1.00 11.52 C ATOM 715 CE1 HIS A 50 -21.225 2.453 -3.900 1.00 11.52 C ATOM 716 NE2 HIS A 50 -20.310 1.842 -3.128 1.00 31.44 N ATOM 0 H HIS A 50 -15.245 3.696 -5.089 1.00 32.42 H new ATOM 0 HA HIS A 50 -16.963 2.246 -5.038 1.00 74.13 H new ATOM 0 HB2 HIS A 50 -17.799 4.693 -4.751 1.00 3.15 H new ATOM 0 HB3 HIS A 50 -18.645 4.363 -6.250 1.00 3.15 H new ATOM 0 HD2 HIS A 50 -18.102 2.003 -3.144 1.00 11.52 H new ATOM 0 HE1 HIS A 50 -22.293 2.319 -3.814 1.00 11.52 H new ATOM 0 HE2 HIS A 50 -20.494 1.182 -2.373 1.00 31.44 H new ATOM 723 N GLY A 51 -16.238 1.418 -7.496 1.00 41.54 N ATOM 724 CA GLY A 51 -16.204 0.671 -8.732 1.00 43.54 C ATOM 725 C GLY A 51 -15.830 1.560 -9.910 1.00 22.41 C ATOM 726 O GLY A 51 -14.740 1.399 -10.456 1.00 51.04 O ATOM 0 H GLY A 51 -15.392 1.310 -6.937 1.00 41.54 H new ATOM 0 HA2 GLY A 51 -15.485 -0.144 -8.647 1.00 43.54 H new ATOM 0 HA3 GLY A 51 -17.179 0.218 -8.912 1.00 43.54 H new ATOM 730 N HIS A 52 -16.728 2.450 -10.336 1.00 60.22 N ATOM 731 CA HIS A 52 -16.666 3.079 -11.654 1.00 31.42 C ATOM 732 C HIS A 52 -16.378 4.569 -11.491 1.00 43.03 C ATOM 733 O HIS A 52 -17.294 5.400 -11.425 1.00 73.11 O ATOM 734 CB HIS A 52 -17.986 2.906 -12.414 1.00 42.23 C ATOM 735 CG HIS A 52 -18.576 1.517 -12.527 1.00 21.45 C ATOM 736 ND1 HIS A 52 -19.829 1.210 -13.017 1.00 41.01 N ATOM 737 CD2 HIS A 52 -17.984 0.336 -12.166 1.00 73.53 C ATOM 738 CE1 HIS A 52 -19.997 -0.117 -12.898 1.00 41.31 C ATOM 739 NE2 HIS A 52 -18.924 -0.687 -12.325 1.00 52.20 N ATOM 0 H HIS A 52 -17.522 2.755 -9.773 1.00 60.22 H new ATOM 0 HA HIS A 52 -15.871 2.598 -12.224 1.00 31.42 H new ATOM 0 HB2 HIS A 52 -18.730 3.544 -11.937 1.00 42.23 H new ATOM 0 HB3 HIS A 52 -17.839 3.287 -13.425 1.00 42.23 H new ATOM 0 HD2 HIS A 52 -16.968 0.216 -11.819 1.00 73.53 H new ATOM 0 HE1 HIS A 52 -20.877 -0.654 -13.220 1.00 41.31 H new ATOM 0 HE2 HIS A 52 -18.817 -1.666 -12.060 1.00 52.20 H new ATOM 746 N GLY A 53 -15.113 4.937 -11.403 1.00 75.50 N ATOM 747 CA GLY A 53 -14.781 6.285 -11.010 1.00 72.42 C ATOM 748 C GLY A 53 -13.269 6.439 -11.002 1.00 71.53 C ATOM 749 O GLY A 53 -12.578 5.602 -11.588 1.00 21.11 O ATOM 0 H GLY A 53 -14.315 4.331 -11.595 1.00 75.50 H new ATOM 0 HA2 GLY A 53 -15.229 7.000 -11.701 1.00 72.42 H new ATOM 0 HA3 GLY A 53 -15.187 6.500 -10.021 1.00 72.42 H new ATOM 753 N ASN A 54 -12.729 7.500 -10.386 1.00 35.50 N ATOM 754 CA ASN A 54 -11.287 7.724 -10.379 1.00 35.22 C ATOM 755 C ASN A 54 -10.829 8.121 -8.964 1.00 63.45 C ATOM 756 O ASN A 54 -11.662 8.480 -8.127 1.00 11.10 O ATOM 757 CB ASN A 54 -10.911 8.788 -11.416 1.00 14.13 C ATOM 758 CG ASN A 54 -11.423 10.186 -11.135 1.00 41.03 C ATOM 759 OD1 ASN A 54 -10.717 10.951 -10.472 1.00 75.25 O ATOM 760 ND2 ASN A 54 -12.551 10.595 -11.663 1.00 71.41 N ATOM 0 H ASN A 54 -13.270 8.209 -9.891 1.00 35.50 H new ATOM 0 HA ASN A 54 -10.773 6.803 -10.653 1.00 35.22 H new ATOM 0 HB2 ASN A 54 -9.824 8.827 -11.493 1.00 14.13 H new ATOM 0 HB3 ASN A 54 -11.288 8.471 -12.388 1.00 14.13 H new ATOM 0 HD21 ASN A 54 -12.857 11.559 -11.529 1.00 71.41 H new ATOM 0 HD22 ASN A 54 -13.122 9.950 -12.208 1.00 71.41 H new ATOM 766 N PRO A 55 -9.522 8.001 -8.672 1.00 20.22 N ATOM 767 CA PRO A 55 -8.980 8.136 -7.322 1.00 42.32 C ATOM 768 C PRO A 55 -8.800 9.598 -6.908 1.00 44.43 C ATOM 769 O PRO A 55 -8.731 10.507 -7.741 1.00 20.13 O ATOM 770 CB PRO A 55 -7.640 7.401 -7.399 1.00 22.50 C ATOM 771 CG PRO A 55 -7.177 7.595 -8.836 1.00 13.42 C ATOM 772 CD PRO A 55 -8.477 7.609 -9.611 1.00 3.10 C ATOM 0 HA PRO A 55 -9.649 7.725 -6.566 1.00 42.32 H new ATOM 0 HB2 PRO A 55 -6.921 7.814 -6.692 1.00 22.50 H new ATOM 0 HB3 PRO A 55 -7.753 6.344 -7.158 1.00 22.50 H new ATOM 0 HG2 PRO A 55 -6.623 8.525 -8.960 1.00 13.42 H new ATOM 0 HG3 PRO A 55 -6.521 6.788 -9.162 1.00 13.42 H new ATOM 0 HD2 PRO A 55 -8.423 8.310 -10.444 1.00 3.10 H new ATOM 0 HD3 PRO A 55 -8.686 6.626 -10.034 1.00 3.10 H new ATOM 777 N VAL A 56 -8.666 9.809 -5.604 1.00 20.24 N ATOM 778 CA VAL A 56 -8.519 11.107 -4.966 1.00 0.21 C ATOM 779 C VAL A 56 -7.075 11.598 -5.139 1.00 33.20 C ATOM 780 O VAL A 56 -6.135 10.797 -5.175 1.00 41.22 O ATOM 781 CB VAL A 56 -8.884 10.963 -3.470 1.00 52.33 C ATOM 782 CG1 VAL A 56 -8.973 12.323 -2.767 1.00 60.45 C ATOM 783 CG2 VAL A 56 -10.228 10.248 -3.255 1.00 20.31 C ATOM 0 H VAL A 56 -8.657 9.041 -4.933 1.00 20.24 H new ATOM 0 HA VAL A 56 -9.183 11.840 -5.424 1.00 0.21 H new ATOM 0 HB VAL A 56 -8.078 10.367 -3.043 1.00 52.33 H new ATOM 0 HG11 VAL A 56 -9.232 12.174 -1.719 1.00 60.45 H new ATOM 0 HG12 VAL A 56 -8.011 12.831 -2.835 1.00 60.45 H new ATOM 0 HG13 VAL A 56 -9.740 12.931 -3.247 1.00 60.45 H new ATOM 0 HG21 VAL A 56 -10.434 10.174 -2.187 1.00 20.31 H new ATOM 0 HG22 VAL A 56 -11.023 10.814 -3.740 1.00 20.31 H new ATOM 0 HG23 VAL A 56 -10.181 9.248 -3.685 1.00 20.31 H new ATOM 793 N LEU A 57 -6.882 12.920 -5.186 1.00 61.51 N ATOM 794 CA LEU A 57 -5.580 13.556 -5.017 1.00 13.31 C ATOM 795 C LEU A 57 -5.146 13.373 -3.559 1.00 64.44 C ATOM 796 O LEU A 57 -5.725 13.962 -2.640 1.00 62.15 O ATOM 797 CB LEU A 57 -5.646 15.037 -5.426 1.00 31.23 C ATOM 798 CG LEU A 57 -4.328 15.666 -5.909 1.00 53.31 C ATOM 799 CD1 LEU A 57 -3.160 15.534 -4.931 1.00 2.34 C ATOM 800 CD2 LEU A 57 -3.909 15.148 -7.291 1.00 1.24 C ATOM 0 H LEU A 57 -7.640 13.584 -5.345 1.00 61.51 H new ATOM 0 HA LEU A 57 -4.837 13.092 -5.666 1.00 13.31 H new ATOM 0 HB2 LEU A 57 -6.386 15.141 -6.219 1.00 31.23 H new ATOM 0 HB3 LEU A 57 -6.008 15.612 -4.574 1.00 31.23 H new ATOM 0 HG LEU A 57 -4.558 16.729 -5.976 1.00 53.31 H new ATOM 0 HD11 LEU A 57 -2.274 16.006 -5.356 1.00 2.34 H new ATOM 0 HD12 LEU A 57 -3.416 16.023 -3.991 1.00 2.34 H new ATOM 0 HD13 LEU A 57 -2.956 14.479 -4.748 1.00 2.34 H new ATOM 0 HD21 LEU A 57 -2.973 15.621 -7.589 1.00 1.24 H new ATOM 0 HD22 LEU A 57 -3.772 14.068 -7.248 1.00 1.24 H new ATOM 0 HD23 LEU A 57 -4.684 15.387 -8.019 1.00 1.24 H new ATOM 811 N VAL A 58 -4.153 12.517 -3.350 1.00 32.23 N ATOM 812 CA VAL A 58 -3.549 12.169 -2.074 1.00 61.32 C ATOM 813 C VAL A 58 -2.191 12.842 -1.953 1.00 3.43 C ATOM 814 O VAL A 58 -1.586 13.217 -2.963 1.00 33.11 O ATOM 815 CB VAL A 58 -3.441 10.634 -1.966 1.00 21.13 C ATOM 816 CG1 VAL A 58 -4.783 10.084 -1.486 1.00 42.53 C ATOM 817 CG2 VAL A 58 -3.018 9.969 -3.291 1.00 53.23 C ATOM 0 H VAL A 58 -3.720 12.013 -4.124 1.00 32.23 H new ATOM 0 HA VAL A 58 -4.169 12.523 -1.250 1.00 61.32 H new ATOM 0 HB VAL A 58 -2.655 10.397 -1.249 1.00 21.13 H new ATOM 0 HG11 VAL A 58 -4.723 8.999 -1.404 1.00 42.53 H new ATOM 0 HG12 VAL A 58 -5.022 10.509 -0.511 1.00 42.53 H new ATOM 0 HG13 VAL A 58 -5.562 10.352 -2.200 1.00 42.53 H new ATOM 0 HG21 VAL A 58 -2.959 8.889 -3.154 1.00 53.23 H new ATOM 0 HG22 VAL A 58 -3.753 10.197 -4.063 1.00 53.23 H new ATOM 0 HG23 VAL A 58 -2.043 10.350 -3.594 1.00 53.23 H new ATOM 827 N THR A 59 -1.704 12.932 -0.715 1.00 72.14 N ATOM 828 CA THR A 59 -0.508 13.669 -0.355 1.00 51.24 C ATOM 829 C THR A 59 0.594 12.721 0.121 1.00 14.53 C ATOM 830 O THR A 59 0.436 11.506 -0.019 1.00 52.51 O ATOM 831 CB THR A 59 -0.888 14.771 0.648 1.00 33.00 C ATOM 832 OG1 THR A 59 -1.614 14.250 1.747 1.00 35.14 O ATOM 833 CG2 THR A 59 -1.758 15.820 -0.050 1.00 0.43 C ATOM 0 H THR A 59 -2.149 12.478 0.083 1.00 72.14 H new ATOM 0 HA THR A 59 -0.081 14.169 -1.224 1.00 51.24 H new ATOM 0 HB THR A 59 0.037 15.214 1.017 1.00 33.00 H new ATOM 0 HG1 THR A 59 -1.838 14.977 2.365 1.00 35.14 H new ATOM 0 HG21 THR A 59 -2.027 16.601 0.661 1.00 0.43 H new ATOM 0 HG22 THR A 59 -1.203 16.260 -0.879 1.00 0.43 H new ATOM 0 HG23 THR A 59 -2.664 15.347 -0.430 1.00 0.43 H new ATOM 841 N HIS A 60 1.711 13.242 0.637 1.00 63.05 N ATOM 842 CA HIS A 60 2.704 12.431 1.335 1.00 62.01 C ATOM 843 C HIS A 60 2.051 11.709 2.542 1.00 63.11 C ATOM 844 O HIS A 60 0.883 11.980 2.858 1.00 15.13 O ATOM 845 CB HIS A 60 3.953 13.234 1.724 1.00 43.34 C ATOM 846 CG HIS A 60 4.520 14.270 0.794 1.00 44.21 C ATOM 847 ND1 HIS A 60 5.170 15.403 1.211 1.00 24.40 N ATOM 848 CD2 HIS A 60 4.628 14.202 -0.558 1.00 72.21 C ATOM 849 CE1 HIS A 60 5.686 15.989 0.119 1.00 21.01 C ATOM 850 NE2 HIS A 60 5.386 15.297 -0.997 1.00 42.34 N ATOM 0 H HIS A 60 1.949 14.232 0.582 1.00 63.05 H new ATOM 0 HA HIS A 60 3.062 11.667 0.645 1.00 62.01 H new ATOM 0 HB2 HIS A 60 3.731 13.736 2.666 1.00 43.34 H new ATOM 0 HB3 HIS A 60 4.747 12.515 1.925 1.00 43.34 H new ATOM 0 HD1 HIS A 60 5.247 15.738 2.171 1.00 24.40 H new ATOM 0 HD2 HIS A 60 4.202 13.435 -1.188 1.00 72.21 H new ATOM 0 HE1 HIS A 60 6.267 16.899 0.133 1.00 21.01 H new ATOM 857 N LYS A 61 2.764 10.856 3.287 1.00 41.35 N ATOM 858 CA LYS A 61 2.216 10.317 4.538 1.00 33.22 C ATOM 859 C LYS A 61 3.336 9.897 5.517 1.00 44.33 C ATOM 860 O LYS A 61 4.171 9.023 5.264 1.00 64.13 O ATOM 861 CB LYS A 61 1.397 9.088 4.135 1.00 64.04 C ATOM 862 CG LYS A 61 0.574 8.427 5.245 1.00 44.21 C ATOM 863 CD LYS A 61 -0.927 8.559 5.010 1.00 60.11 C ATOM 864 CE LYS A 61 -1.444 9.956 5.344 1.00 53.52 C ATOM 865 NZ LYS A 61 -2.920 9.984 5.332 1.00 51.55 N ATOM 0 H LYS A 61 3.702 10.529 3.053 1.00 41.35 H new ATOM 0 HA LYS A 61 1.617 11.070 5.051 1.00 33.22 H new ATOM 0 HB2 LYS A 61 0.719 9.377 3.332 1.00 64.04 H new ATOM 0 HB3 LYS A 61 2.078 8.343 3.724 1.00 64.04 H new ATOM 0 HG2 LYS A 61 0.838 7.371 5.310 1.00 44.21 H new ATOM 0 HG3 LYS A 61 0.831 8.879 6.203 1.00 44.21 H new ATOM 0 HD2 LYS A 61 -1.151 8.330 3.968 1.00 60.11 H new ATOM 0 HD3 LYS A 61 -1.454 7.824 5.618 1.00 60.11 H new ATOM 0 HE2 LYS A 61 -1.078 10.260 6.325 1.00 53.52 H new ATOM 0 HE3 LYS A 61 -1.056 10.675 4.622 1.00 53.52 H new ATOM 0 HZ1 LYS A 61 -3.251 10.943 5.562 1.00 51.55 H new ATOM 0 HZ2 LYS A 61 -3.265 9.715 4.388 1.00 51.55 H new ATOM 0 HZ3 LYS A 61 -3.286 9.313 6.038 1.00 51.55 H new ATOM 875 N LYS A 62 3.196 10.429 6.727 1.00 64.03 N ATOM 876 CA LYS A 62 4.226 10.731 7.696 1.00 63.13 C ATOM 877 C LYS A 62 4.863 9.501 8.305 1.00 73.25 C ATOM 878 O LYS A 62 5.945 9.067 7.919 1.00 22.43 O ATOM 879 CB LYS A 62 3.648 11.714 8.752 1.00 24.34 C ATOM 880 CG LYS A 62 2.240 11.375 9.320 1.00 22.41 C ATOM 881 CD LYS A 62 1.121 12.401 9.034 1.00 71.32 C ATOM 882 CE LYS A 62 -0.060 11.742 8.326 1.00 15.40 C ATOM 883 NZ LYS A 62 -1.212 12.664 8.237 1.00 51.42 N ATOM 0 H LYS A 62 2.272 10.680 7.079 1.00 64.03 H new ATOM 0 HA LYS A 62 5.055 11.217 7.181 1.00 63.13 H new ATOM 0 HB2 LYS A 62 4.348 11.769 9.586 1.00 24.34 H new ATOM 0 HB3 LYS A 62 3.605 12.708 8.306 1.00 24.34 H new ATOM 0 HG2 LYS A 62 1.931 10.411 8.916 1.00 22.41 H new ATOM 0 HG3 LYS A 62 2.327 11.255 10.400 1.00 22.41 H new ATOM 0 HD2 LYS A 62 0.785 12.848 9.970 1.00 71.32 H new ATOM 0 HD3 LYS A 62 1.514 13.210 8.418 1.00 71.32 H new ATOM 0 HE2 LYS A 62 0.240 11.432 7.325 1.00 15.40 H new ATOM 0 HE3 LYS A 62 -0.353 10.841 8.864 1.00 15.40 H new ATOM 0 HZ1 LYS A 62 -2.000 12.189 7.751 1.00 51.42 H new ATOM 0 HZ2 LYS A 62 -1.511 12.939 9.194 1.00 51.42 H new ATOM 0 HZ3 LYS A 62 -0.937 13.513 7.703 1.00 51.42 H new ATOM 893 N ASN A 63 4.226 8.988 9.345 1.00 75.05 N ATOM 894 CA ASN A 63 4.767 8.008 10.282 1.00 41.51 C ATOM 895 C ASN A 63 3.651 7.061 10.732 1.00 51.51 C ATOM 896 O ASN A 63 3.624 6.595 11.870 1.00 43.34 O ATOM 897 CB ASN A 63 5.550 8.697 11.428 1.00 40.12 C ATOM 898 CG ASN A 63 4.919 9.930 12.017 1.00 35.01 C ATOM 899 OD1 ASN A 63 3.918 9.806 12.718 1.00 32.33 O ATOM 900 ND2 ASN A 63 5.446 11.116 11.702 1.00 64.21 N ATOM 0 H ASN A 63 3.268 9.255 9.573 1.00 75.05 H new ATOM 0 HA ASN A 63 5.513 7.383 9.790 1.00 41.51 H new ATOM 0 HB2 ASN A 63 5.695 7.971 12.228 1.00 40.12 H new ATOM 0 HB3 ASN A 63 6.539 8.963 11.055 1.00 40.12 H new ATOM 0 HD21 ASN A 63 5.015 11.974 12.048 1.00 64.21 H new ATOM 0 HD22 ASN A 63 6.279 11.164 11.116 1.00 64.21 H new ATOM 906 N VAL A 64 2.751 6.711 9.812 1.00 40.42 N ATOM 907 CA VAL A 64 1.688 5.732 10.010 1.00 73.12 C ATOM 908 C VAL A 64 2.216 4.347 10.390 1.00 75.45 C ATOM 909 O VAL A 64 2.724 3.600 9.553 1.00 75.11 O ATOM 910 CB VAL A 64 0.752 5.721 8.787 1.00 44.25 C ATOM 911 CG1 VAL A 64 1.491 5.749 7.442 1.00 3.12 C ATOM 912 CG2 VAL A 64 -0.244 4.556 8.824 1.00 31.41 C ATOM 0 H VAL A 64 2.744 7.117 8.876 1.00 40.42 H new ATOM 0 HA VAL A 64 1.097 6.038 10.874 1.00 73.12 H new ATOM 0 HB VAL A 64 0.194 6.654 8.861 1.00 44.25 H new ATOM 0 HG11 VAL A 64 0.766 5.739 6.628 1.00 3.12 H new ATOM 0 HG12 VAL A 64 2.096 6.653 7.378 1.00 3.12 H new ATOM 0 HG13 VAL A 64 2.136 4.874 7.363 1.00 3.12 H new ATOM 0 HG21 VAL A 64 -0.881 4.593 7.940 1.00 31.41 H new ATOM 0 HG22 VAL A 64 0.301 3.612 8.839 1.00 31.41 H new ATOM 0 HG23 VAL A 64 -0.861 4.633 9.719 1.00 31.41 H new ATOM 922 N ASN A 65 2.117 3.995 11.671 1.00 33.32 N ATOM 923 CA ASN A 65 2.406 2.645 12.159 1.00 61.21 C ATOM 924 C ASN A 65 1.178 1.739 11.961 1.00 40.35 C ATOM 925 O ASN A 65 0.098 2.210 11.609 1.00 13.11 O ATOM 926 CB ASN A 65 2.935 2.690 13.610 1.00 64.01 C ATOM 927 CG ASN A 65 4.354 3.262 13.754 1.00 62.41 C ATOM 928 OD1 ASN A 65 4.591 4.250 14.433 1.00 54.12 O ATOM 929 ND2 ASN A 65 5.350 2.690 13.091 1.00 15.30 N ATOM 0 H ASN A 65 1.832 4.643 12.406 1.00 33.32 H new ATOM 0 HA ASN A 65 3.209 2.199 11.572 1.00 61.21 H new ATOM 0 HB2 ASN A 65 2.253 3.289 14.214 1.00 64.01 H new ATOM 0 HB3 ASN A 65 2.921 1.680 14.020 1.00 64.01 H new ATOM 0 HD21 ASN A 65 6.292 3.076 13.154 1.00 15.30 H new ATOM 0 HD22 ASN A 65 5.174 1.864 12.518 1.00 15.30 H new ATOM 935 N ILE A 66 1.341 0.432 12.179 1.00 73.11 N ATOM 936 CA ILE A 66 0.314 -0.604 12.053 1.00 62.12 C ATOM 937 C ILE A 66 0.238 -1.316 13.392 1.00 35.21 C ATOM 938 O ILE A 66 1.268 -1.722 13.930 1.00 43.14 O ATOM 939 CB ILE A 66 0.606 -1.563 10.860 1.00 71.00 C ATOM 940 CG1 ILE A 66 0.227 -0.781 9.579 1.00 74.34 C ATOM 941 CG2 ILE A 66 -0.201 -2.871 10.951 1.00 4.31 C ATOM 942 CD1 ILE A 66 0.403 -1.525 8.255 1.00 40.22 C ATOM 0 H ILE A 66 2.242 0.048 12.464 1.00 73.11 H new ATOM 0 HA ILE A 66 -0.657 -0.168 11.819 1.00 62.12 H new ATOM 0 HB ILE A 66 1.655 -1.860 10.863 1.00 71.00 H new ATOM 0 HG12 ILE A 66 -0.815 -0.472 9.662 1.00 74.34 H new ATOM 0 HG13 ILE A 66 0.827 0.128 9.543 1.00 74.34 H new ATOM 0 HG21 ILE A 66 0.037 -3.506 10.097 1.00 4.31 H new ATOM 0 HG22 ILE A 66 0.054 -3.393 11.873 1.00 4.31 H new ATOM 0 HG23 ILE A 66 -1.267 -2.642 10.947 1.00 4.31 H new ATOM 0 HD11 ILE A 66 0.106 -0.876 7.431 1.00 40.22 H new ATOM 0 HD12 ILE A 66 1.448 -1.810 8.134 1.00 40.22 H new ATOM 0 HD13 ILE A 66 -0.219 -2.420 8.255 1.00 40.22 H new ATOM 953 N ASN A 67 -0.981 -1.457 13.899 1.00 34.01 N ATOM 954 CA ASN A 67 -1.307 -2.291 15.037 1.00 4.44 C ATOM 955 C ASN A 67 -1.274 -3.758 14.633 1.00 71.24 C ATOM 956 O ASN A 67 -0.639 -4.548 15.327 1.00 33.31 O ATOM 957 CB ASN A 67 -2.686 -1.899 15.598 1.00 20.35 C ATOM 958 CG ASN A 67 -2.528 -0.718 16.543 1.00 43.33 C ATOM 959 OD1 ASN A 67 -1.865 -0.836 17.562 1.00 40.45 O ATOM 960 ND2 ASN A 67 -3.079 0.442 16.232 1.00 32.20 N ATOM 0 H ASN A 67 -1.793 -0.976 13.512 1.00 34.01 H new ATOM 0 HA ASN A 67 -0.566 -2.139 15.822 1.00 4.44 H new ATOM 0 HB2 ASN A 67 -3.362 -1.640 14.783 1.00 20.35 H new ATOM 0 HB3 ASN A 67 -3.131 -2.744 16.124 1.00 20.35 H new ATOM 0 HD21 ASN A 67 -2.952 1.247 16.845 1.00 32.20 H new ATOM 0 HD22 ASN A 67 -3.631 0.532 15.379 1.00 32.20 H new ATOM 966 N ALA A 68 -1.951 -4.144 13.542 1.00 52.50 N ATOM 967 CA ALA A 68 -2.282 -5.538 13.285 1.00 54.22 C ATOM 968 C ALA A 68 -2.611 -5.795 11.811 1.00 43.52 C ATOM 969 O ALA A 68 -2.648 -4.874 10.991 1.00 63.10 O ATOM 970 CB ALA A 68 -3.481 -5.895 14.166 1.00 52.40 C ATOM 0 H ALA A 68 -2.279 -3.499 12.823 1.00 52.50 H new ATOM 0 HA ALA A 68 -1.419 -6.161 13.520 1.00 54.22 H new ATOM 0 HB1 ALA A 68 -3.758 -6.936 13.999 1.00 52.40 H new ATOM 0 HB2 ALA A 68 -3.217 -5.753 15.214 1.00 52.40 H new ATOM 0 HB3 ALA A 68 -4.323 -5.251 13.913 1.00 52.40 H new ATOM 976 N ILE A 69 -2.846 -7.071 11.505 1.00 14.25 N ATOM 977 CA ILE A 69 -3.257 -7.632 10.225 1.00 1.44 C ATOM 978 C ILE A 69 -4.434 -8.547 10.524 1.00 44.24 C ATOM 979 O ILE A 69 -4.347 -9.354 11.455 1.00 25.14 O ATOM 980 CB ILE A 69 -2.080 -8.453 9.649 1.00 45.10 C ATOM 981 CG1 ILE A 69 -0.928 -7.541 9.167 1.00 64.32 C ATOM 982 CG2 ILE A 69 -2.453 -9.438 8.527 1.00 31.02 C ATOM 983 CD1 ILE A 69 0.441 -8.215 9.288 1.00 44.22 C ATOM 0 H ILE A 69 -2.744 -7.800 12.211 1.00 14.25 H new ATOM 0 HA ILE A 69 -3.534 -6.864 9.503 1.00 1.44 H new ATOM 0 HB ILE A 69 -1.753 -9.060 10.493 1.00 45.10 H new ATOM 0 HG12 ILE A 69 -1.101 -7.260 8.128 1.00 64.32 H new ATOM 0 HG13 ILE A 69 -0.929 -6.620 9.750 1.00 64.32 H new ATOM 0 HG21 ILE A 69 -1.559 -9.964 8.192 1.00 31.02 H new ATOM 0 HG22 ILE A 69 -3.179 -10.159 8.903 1.00 31.02 H new ATOM 0 HG23 ILE A 69 -2.886 -8.890 7.690 1.00 31.02 H new ATOM 0 HD11 ILE A 69 1.215 -7.533 8.937 1.00 44.22 H new ATOM 0 HD12 ILE A 69 0.629 -8.471 10.331 1.00 44.22 H new ATOM 0 HD13 ILE A 69 0.455 -9.122 8.683 1.00 44.22 H new ATOM 994 N THR A 70 -5.466 -8.487 9.687 1.00 54.34 N ATOM 995 CA THR A 70 -6.615 -9.373 9.800 1.00 24.13 C ATOM 996 C THR A 70 -6.982 -9.879 8.410 1.00 43.12 C ATOM 997 O THR A 70 -7.631 -9.162 7.652 1.00 43.53 O ATOM 998 CB THR A 70 -7.787 -8.602 10.450 1.00 24.04 C ATOM 999 OG1 THR A 70 -7.459 -8.062 11.710 1.00 4.42 O ATOM 1000 CG2 THR A 70 -9.074 -9.402 10.614 1.00 74.11 C ATOM 0 H THR A 70 -5.527 -7.824 8.914 1.00 54.34 H new ATOM 0 HA THR A 70 -6.383 -10.232 10.430 1.00 24.13 H new ATOM 0 HB THR A 70 -7.969 -7.806 9.728 1.00 24.04 H new ATOM 0 HG1 THR A 70 -8.234 -7.585 12.073 1.00 4.42 H new ATOM 0 HG21 THR A 70 -9.835 -8.775 11.078 1.00 74.11 H new ATOM 0 HG22 THR A 70 -9.424 -9.733 9.636 1.00 74.11 H new ATOM 0 HG23 THR A 70 -8.885 -10.270 11.245 1.00 74.11 H new ATOM 1008 N PRO A 71 -6.574 -11.090 8.017 1.00 10.52 N ATOM 1009 CA PRO A 71 -7.009 -11.688 6.767 1.00 74.12 C ATOM 1010 C PRO A 71 -8.534 -11.790 6.766 1.00 24.31 C ATOM 1011 O PRO A 71 -9.138 -12.466 7.607 1.00 45.11 O ATOM 1012 CB PRO A 71 -6.268 -13.024 6.664 1.00 54.44 C ATOM 1013 CG PRO A 71 -5.912 -13.344 8.118 1.00 70.13 C ATOM 1014 CD PRO A 71 -5.739 -11.998 8.773 1.00 41.10 C ATOM 0 HA PRO A 71 -6.770 -11.099 5.882 1.00 74.12 H new ATOM 0 HB2 PRO A 71 -6.896 -13.799 6.224 1.00 54.44 H new ATOM 0 HB3 PRO A 71 -5.378 -12.943 6.041 1.00 54.44 H new ATOM 0 HG2 PRO A 71 -6.700 -13.921 8.601 1.00 70.13 H new ATOM 0 HG3 PRO A 71 -4.999 -13.936 8.181 1.00 70.13 H new ATOM 0 HD2 PRO A 71 -6.041 -12.029 9.820 1.00 41.10 H new ATOM 0 HD3 PRO A 71 -4.696 -11.682 8.751 1.00 41.10 H new ATOM 1019 N VAL A 72 -9.143 -11.041 5.850 1.00 10.54 N ATOM 1020 CA VAL A 72 -10.555 -11.062 5.529 1.00 45.51 C ATOM 1021 C VAL A 72 -10.724 -12.264 4.605 1.00 42.40 C ATOM 1022 O VAL A 72 -10.116 -12.310 3.528 1.00 30.41 O ATOM 1023 CB VAL A 72 -10.989 -9.710 4.921 1.00 41.21 C ATOM 1024 CG1 VAL A 72 -12.494 -9.697 4.621 1.00 62.24 C ATOM 1025 CG2 VAL A 72 -10.668 -8.545 5.885 1.00 64.11 C ATOM 0 H VAL A 72 -8.629 -10.367 5.283 1.00 10.54 H new ATOM 0 HA VAL A 72 -11.205 -11.176 6.396 1.00 45.51 H new ATOM 0 HB VAL A 72 -10.433 -9.582 3.992 1.00 41.21 H new ATOM 0 HG11 VAL A 72 -12.772 -8.733 4.194 1.00 62.24 H new ATOM 0 HG12 VAL A 72 -12.730 -10.490 3.912 1.00 62.24 H new ATOM 0 HG13 VAL A 72 -13.050 -9.858 5.544 1.00 62.24 H new ATOM 0 HG21 VAL A 72 -10.983 -7.603 5.435 1.00 64.11 H new ATOM 0 HG22 VAL A 72 -11.200 -8.694 6.825 1.00 64.11 H new ATOM 0 HG23 VAL A 72 -9.595 -8.516 6.076 1.00 64.11 H new ATOM 1035 N GLY A 73 -11.478 -13.268 5.061 1.00 43.53 N ATOM 1036 CA GLY A 73 -11.494 -14.607 4.507 1.00 61.00 C ATOM 1037 C GLY A 73 -10.073 -15.126 4.352 1.00 51.22 C ATOM 1038 O GLY A 73 -9.377 -15.406 5.327 1.00 73.42 O ATOM 0 H GLY A 73 -12.112 -13.158 5.852 1.00 43.53 H new ATOM 0 HA2 GLY A 73 -12.063 -15.271 5.158 1.00 61.00 H new ATOM 0 HA3 GLY A 73 -11.995 -14.602 3.539 1.00 61.00 H new ATOM 1042 N ASN A 74 -9.649 -15.241 3.103 1.00 45.53 N ATOM 1043 CA ASN A 74 -8.390 -15.799 2.626 1.00 43.31 C ATOM 1044 C ASN A 74 -7.912 -14.986 1.414 1.00 71.43 C ATOM 1045 O ASN A 74 -7.125 -15.479 0.602 1.00 5.12 O ATOM 1046 CB ASN A 74 -8.626 -17.273 2.253 1.00 65.40 C ATOM 1047 CG ASN A 74 -9.646 -17.398 1.128 1.00 10.31 C ATOM 1048 OD1 ASN A 74 -10.850 -17.442 1.382 1.00 54.33 O ATOM 1049 ND2 ASN A 74 -9.215 -17.348 -0.119 1.00 5.13 N ATOM 0 H ASN A 74 -10.228 -14.918 2.328 1.00 45.53 H new ATOM 0 HA ASN A 74 -7.619 -15.749 3.395 1.00 43.31 H new ATOM 0 HB2 ASN A 74 -7.685 -17.729 1.947 1.00 65.40 H new ATOM 0 HB3 ASN A 74 -8.976 -17.821 3.128 1.00 65.40 H new ATOM 0 HD21 ASN A 74 -9.883 -17.345 -0.890 1.00 5.13 H new ATOM 0 HD22 ASN A 74 -8.214 -17.312 -0.312 1.00 5.13 H new ATOM 1055 N TYR A 75 -8.472 -13.784 1.221 1.00 12.24 N ATOM 1056 CA TYR A 75 -8.365 -13.082 -0.059 1.00 11.45 C ATOM 1057 C TYR A 75 -7.867 -11.640 0.043 1.00 31.24 C ATOM 1058 O TYR A 75 -7.665 -11.013 -1.000 1.00 53.30 O ATOM 1059 CB TYR A 75 -9.648 -13.262 -0.886 1.00 22.24 C ATOM 1060 CG TYR A 75 -10.936 -12.593 -0.426 1.00 74.11 C ATOM 1061 CD1 TYR A 75 -11.548 -12.941 0.795 1.00 51.43 C ATOM 1062 CD2 TYR A 75 -11.622 -11.735 -1.310 1.00 5.53 C ATOM 1063 CE1 TYR A 75 -12.809 -12.426 1.135 1.00 14.24 C ATOM 1064 CE2 TYR A 75 -12.896 -11.232 -0.990 1.00 31.04 C ATOM 1065 CZ TYR A 75 -13.497 -11.582 0.237 1.00 30.22 C ATOM 1066 OH TYR A 75 -14.751 -11.158 0.557 1.00 32.35 O ATOM 0 H TYR A 75 -9.001 -13.282 1.934 1.00 12.24 H new ATOM 0 HA TYR A 75 -7.560 -13.561 -0.616 1.00 11.45 H new ATOM 0 HB2 TYR A 75 -9.438 -12.908 -1.895 1.00 22.24 H new ATOM 0 HB3 TYR A 75 -9.843 -14.332 -0.958 1.00 22.24 H new ATOM 0 HD1 TYR A 75 -11.042 -13.610 1.475 1.00 51.43 H new ATOM 0 HD2 TYR A 75 -11.162 -11.460 -2.248 1.00 5.53 H new ATOM 0 HE1 TYR A 75 -13.254 -12.676 2.087 1.00 14.24 H new ATOM 0 HE2 TYR A 75 -13.411 -10.581 -1.681 1.00 31.04 H new ATOM 0 HH TYR A 75 -15.094 -10.583 -0.159 1.00 32.35 H new ATOM 1075 N ALA A 76 -7.676 -11.114 1.259 1.00 11.54 N ATOM 1076 CA ALA A 76 -7.177 -9.768 1.530 1.00 51.32 C ATOM 1077 C ALA A 76 -6.966 -9.572 3.035 1.00 21.03 C ATOM 1078 O ALA A 76 -7.313 -10.474 3.791 1.00 64.13 O ATOM 1079 CB ALA A 76 -8.232 -8.786 1.075 1.00 73.00 C ATOM 0 H ALA A 76 -7.874 -11.638 2.112 1.00 11.54 H new ATOM 0 HA ALA A 76 -6.231 -9.617 1.010 1.00 51.32 H new ATOM 0 HB1 ALA A 76 -7.888 -7.769 1.264 1.00 73.00 H new ATOM 0 HB2 ALA A 76 -8.413 -8.915 0.008 1.00 73.00 H new ATOM 0 HB3 ALA A 76 -9.156 -8.965 1.624 1.00 73.00 H new ATOM 1085 N VAL A 77 -6.456 -8.426 3.497 1.00 10.22 N ATOM 1086 CA VAL A 77 -5.830 -8.279 4.814 1.00 5.25 C ATOM 1087 C VAL A 77 -6.041 -6.889 5.442 1.00 14.23 C ATOM 1088 O VAL A 77 -5.431 -5.877 5.102 1.00 21.34 O ATOM 1089 CB VAL A 77 -4.332 -8.628 4.713 1.00 14.51 C ATOM 1090 CG1 VAL A 77 -4.159 -10.126 4.547 1.00 11.33 C ATOM 1091 CG2 VAL A 77 -3.595 -7.856 3.617 1.00 51.33 C ATOM 0 H VAL A 77 -6.467 -7.561 2.957 1.00 10.22 H new ATOM 0 HA VAL A 77 -6.325 -8.978 5.489 1.00 5.25 H new ATOM 0 HB VAL A 77 -3.869 -8.313 5.648 1.00 14.51 H new ATOM 0 HG11 VAL A 77 -3.098 -10.364 4.476 1.00 11.33 H new ATOM 0 HG12 VAL A 77 -4.590 -10.639 5.407 1.00 11.33 H new ATOM 0 HG13 VAL A 77 -4.665 -10.452 3.638 1.00 11.33 H new ATOM 0 HG21 VAL A 77 -2.546 -8.153 3.605 1.00 51.33 H new ATOM 0 HG22 VAL A 77 -4.046 -8.078 2.650 1.00 51.33 H new ATOM 0 HG23 VAL A 77 -3.667 -6.786 3.814 1.00 51.33 H new ATOM 1101 N LYS A 78 -6.894 -6.829 6.445 1.00 4.51 N ATOM 1102 CA LYS A 78 -7.260 -5.607 7.145 1.00 1.45 C ATOM 1103 C LYS A 78 -6.084 -5.024 7.957 1.00 22.14 C ATOM 1104 O LYS A 78 -5.804 -5.508 9.060 1.00 3.54 O ATOM 1105 CB LYS A 78 -8.484 -5.842 8.058 1.00 54.41 C ATOM 1106 CG LYS A 78 -9.598 -4.837 7.764 1.00 20.22 C ATOM 1107 CD LYS A 78 -10.531 -4.588 8.948 1.00 1.51 C ATOM 1108 CE LYS A 78 -11.776 -5.458 8.829 1.00 65.13 C ATOM 1109 NZ LYS A 78 -12.982 -4.757 9.302 1.00 21.12 N ATOM 0 H LYS A 78 -7.369 -7.655 6.810 1.00 4.51 H new ATOM 0 HA LYS A 78 -7.525 -4.872 6.384 1.00 1.45 H new ATOM 0 HB2 LYS A 78 -8.858 -6.855 7.914 1.00 54.41 H new ATOM 0 HB3 LYS A 78 -8.183 -5.759 9.102 1.00 54.41 H new ATOM 0 HG2 LYS A 78 -9.150 -3.891 7.461 1.00 20.22 H new ATOM 0 HG3 LYS A 78 -10.186 -5.197 6.919 1.00 20.22 H new ATOM 0 HD2 LYS A 78 -10.013 -4.808 9.881 1.00 1.51 H new ATOM 0 HD3 LYS A 78 -10.815 -3.536 8.981 1.00 1.51 H new ATOM 0 HE2 LYS A 78 -11.913 -5.756 7.789 1.00 65.13 H new ATOM 0 HE3 LYS A 78 -11.637 -6.372 9.407 1.00 65.13 H new ATOM 0 HZ1 LYS A 78 -13.807 -5.382 9.205 1.00 21.12 H new ATOM 0 HZ2 LYS A 78 -12.862 -4.495 10.301 1.00 21.12 H new ATOM 0 HZ3 LYS A 78 -13.129 -3.898 8.734 1.00 21.12 H new ATOM 1119 N LEU A 79 -5.370 -4.029 7.420 1.00 63.22 N ATOM 1120 CA LEU A 79 -4.275 -3.351 8.122 1.00 44.31 C ATOM 1121 C LEU A 79 -4.874 -2.332 9.085 1.00 1.54 C ATOM 1122 O LEU A 79 -5.402 -1.310 8.642 1.00 62.04 O ATOM 1123 CB LEU A 79 -3.306 -2.645 7.144 1.00 15.44 C ATOM 1124 CG LEU A 79 -2.591 -3.557 6.131 1.00 44.43 C ATOM 1125 CD1 LEU A 79 -1.749 -2.740 5.145 1.00 73.34 C ATOM 1126 CD2 LEU A 79 -1.652 -4.582 6.777 1.00 61.04 C ATOM 0 H LEU A 79 -5.537 -3.669 6.480 1.00 63.22 H new ATOM 0 HA LEU A 79 -3.696 -4.099 8.663 1.00 44.31 H new ATOM 0 HB2 LEU A 79 -3.864 -1.889 6.592 1.00 15.44 H new ATOM 0 HB3 LEU A 79 -2.550 -2.120 7.728 1.00 15.44 H new ATOM 0 HG LEU A 79 -3.399 -4.086 5.626 1.00 44.43 H new ATOM 0 HD11 LEU A 79 -1.257 -3.413 4.443 1.00 73.34 H new ATOM 0 HD12 LEU A 79 -2.394 -2.053 4.598 1.00 73.34 H new ATOM 0 HD13 LEU A 79 -0.996 -2.173 5.692 1.00 73.34 H new ATOM 0 HD21 LEU A 79 -1.185 -5.188 6.000 1.00 61.04 H new ATOM 0 HD22 LEU A 79 -0.880 -4.062 7.344 1.00 61.04 H new ATOM 0 HD23 LEU A 79 -2.222 -5.227 7.446 1.00 61.04 H new ATOM 1137 N VAL A 80 -4.852 -2.589 10.394 1.00 63.03 N ATOM 1138 CA VAL A 80 -5.232 -1.577 11.380 1.00 12.42 C ATOM 1139 C VAL A 80 -4.082 -0.575 11.469 1.00 3.24 C ATOM 1140 O VAL A 80 -3.047 -0.865 12.072 1.00 11.31 O ATOM 1141 CB VAL A 80 -5.621 -2.208 12.733 1.00 44.31 C ATOM 1142 CG1 VAL A 80 -6.037 -1.132 13.747 1.00 73.03 C ATOM 1143 CG2 VAL A 80 -6.826 -3.150 12.596 1.00 63.31 C ATOM 0 H VAL A 80 -4.576 -3.486 10.794 1.00 63.03 H new ATOM 0 HA VAL A 80 -6.134 -1.049 11.070 1.00 12.42 H new ATOM 0 HB VAL A 80 -4.739 -2.753 13.069 1.00 44.31 H new ATOM 0 HG11 VAL A 80 -6.306 -1.606 14.691 1.00 73.03 H new ATOM 0 HG12 VAL A 80 -5.207 -0.445 13.910 1.00 73.03 H new ATOM 0 HG13 VAL A 80 -6.894 -0.580 13.361 1.00 73.03 H new ATOM 0 HG21 VAL A 80 -7.069 -3.574 13.570 1.00 63.31 H new ATOM 0 HG22 VAL A 80 -7.683 -2.592 12.219 1.00 63.31 H new ATOM 0 HG23 VAL A 80 -6.583 -3.954 11.901 1.00 63.31 H new ATOM 1153 N PHE A 81 -4.241 0.571 10.810 1.00 0.52 N ATOM 1154 CA PHE A 81 -3.269 1.648 10.785 1.00 55.43 C ATOM 1155 C PHE A 81 -3.486 2.561 11.989 1.00 11.11 C ATOM 1156 O PHE A 81 -4.553 3.150 12.121 1.00 63.34 O ATOM 1157 CB PHE A 81 -3.461 2.454 9.507 1.00 32.41 C ATOM 1158 CG PHE A 81 -3.132 1.726 8.219 1.00 33.43 C ATOM 1159 CD1 PHE A 81 -1.791 1.540 7.843 1.00 12.12 C ATOM 1160 CD2 PHE A 81 -4.160 1.354 7.332 1.00 40.35 C ATOM 1161 CE1 PHE A 81 -1.476 1.047 6.565 1.00 20.13 C ATOM 1162 CE2 PHE A 81 -3.844 0.875 6.053 1.00 15.24 C ATOM 1163 CZ PHE A 81 -2.504 0.738 5.660 1.00 53.51 C ATOM 0 H PHE A 81 -5.078 0.776 10.264 1.00 0.52 H new ATOM 0 HA PHE A 81 -2.261 1.234 10.821 1.00 55.43 H new ATOM 0 HB2 PHE A 81 -4.498 2.787 9.461 1.00 32.41 H new ATOM 0 HB3 PHE A 81 -2.841 3.349 9.566 1.00 32.41 H new ATOM 0 HD1 PHE A 81 -0.999 1.777 8.539 1.00 12.12 H new ATOM 0 HD2 PHE A 81 -5.193 1.438 7.637 1.00 40.35 H new ATOM 0 HE1 PHE A 81 -0.444 0.906 6.279 1.00 20.13 H new ATOM 0 HE2 PHE A 81 -4.635 0.610 5.367 1.00 15.24 H new ATOM 0 HZ PHE A 81 -2.264 0.396 4.664 1.00 53.51 H new ATOM 1172 N ASP A 82 -2.456 2.735 12.815 1.00 52.35 N ATOM 1173 CA ASP A 82 -2.469 3.503 14.067 1.00 21.10 C ATOM 1174 C ASP A 82 -2.506 5.025 13.852 1.00 35.04 C ATOM 1175 O ASP A 82 -2.392 5.786 14.804 1.00 61.03 O ATOM 1176 CB ASP A 82 -1.207 3.116 14.850 1.00 71.04 C ATOM 1177 CG ASP A 82 -1.235 3.538 16.323 1.00 14.34 C ATOM 1178 OD1 ASP A 82 -1.830 2.794 17.130 1.00 51.42 O ATOM 1179 OD2 ASP A 82 -0.462 4.449 16.703 1.00 4.24 O ATOM 0 H ASP A 82 -1.542 2.325 12.623 1.00 52.35 H new ATOM 0 HA ASP A 82 -3.381 3.260 14.612 1.00 21.10 H new ATOM 0 HB2 ASP A 82 -1.074 2.036 14.794 1.00 71.04 H new ATOM 0 HB3 ASP A 82 -0.340 3.569 14.369 1.00 71.04 H new ATOM 1183 N ASP A 83 -2.624 5.491 12.607 1.00 32.44 N ATOM 1184 CA ASP A 83 -2.639 6.911 12.236 1.00 62.44 C ATOM 1185 C ASP A 83 -3.876 7.222 11.409 1.00 12.54 C ATOM 1186 O ASP A 83 -4.569 8.194 11.698 1.00 74.14 O ATOM 1187 CB ASP A 83 -1.364 7.263 11.456 1.00 0.43 C ATOM 1188 CG ASP A 83 -1.499 8.537 10.612 1.00 11.23 C ATOM 1189 OD1 ASP A 83 -1.210 9.641 11.104 1.00 53.44 O ATOM 1190 OD2 ASP A 83 -1.862 8.415 9.412 1.00 20.42 O ATOM 0 H ASP A 83 -2.715 4.872 11.802 1.00 32.44 H new ATOM 0 HA ASP A 83 -2.669 7.516 13.142 1.00 62.44 H new ATOM 0 HB2 ASP A 83 -0.540 7.387 12.158 1.00 0.43 H new ATOM 0 HB3 ASP A 83 -1.104 6.429 10.803 1.00 0.43 H new ATOM 1194 N GLY A 84 -4.150 6.417 10.381 1.00 60.41 N ATOM 1195 CA GLY A 84 -5.224 6.696 9.449 1.00 55.31 C ATOM 1196 C GLY A 84 -6.539 6.191 10.011 1.00 44.22 C ATOM 1197 O GLY A 84 -7.213 6.901 10.752 1.00 2.41 O ATOM 0 H GLY A 84 -3.633 5.561 10.179 1.00 60.41 H new ATOM 0 HA2 GLY A 84 -5.286 7.768 9.262 1.00 55.31 H new ATOM 0 HA3 GLY A 84 -5.020 6.217 8.491 1.00 55.31 H new ATOM 1201 N HIS A 85 -6.913 4.981 9.611 1.00 31.13 N ATOM 1202 CA HIS A 85 -8.098 4.251 10.029 1.00 32.43 C ATOM 1203 C HIS A 85 -7.952 2.817 9.506 1.00 75.33 C ATOM 1204 O HIS A 85 -7.179 2.584 8.568 1.00 72.33 O ATOM 1205 CB HIS A 85 -9.358 4.900 9.419 1.00 63.21 C ATOM 1206 CG HIS A 85 -10.656 4.407 10.014 1.00 74.23 C ATOM 1207 ND1 HIS A 85 -11.614 3.657 9.361 1.00 61.22 N ATOM 1208 CD2 HIS A 85 -11.099 4.627 11.293 1.00 21.33 C ATOM 1209 CE1 HIS A 85 -12.622 3.457 10.224 1.00 22.31 C ATOM 1210 NE2 HIS A 85 -12.352 4.015 11.415 1.00 35.32 N ATOM 0 H HIS A 85 -6.357 4.451 8.941 1.00 31.13 H new ATOM 0 HA HIS A 85 -8.198 4.264 11.114 1.00 32.43 H new ATOM 0 HB2 HIS A 85 -9.297 5.980 9.551 1.00 63.21 H new ATOM 0 HB3 HIS A 85 -9.368 4.710 8.346 1.00 63.21 H new ATOM 0 HD2 HIS A 85 -10.577 5.173 12.065 1.00 21.33 H new ATOM 0 HE1 HIS A 85 -13.529 2.919 9.992 1.00 22.31 H new ATOM 0 HE2 HIS A 85 -12.944 3.997 12.246 1.00 35.32 H new ATOM 1217 N ASP A 86 -8.769 1.897 10.019 1.00 74.45 N ATOM 1218 CA ASP A 86 -9.037 0.523 9.579 1.00 51.54 C ATOM 1219 C ASP A 86 -9.815 0.489 8.265 1.00 71.10 C ATOM 1220 O ASP A 86 -10.778 -0.263 8.085 1.00 20.13 O ATOM 1221 CB ASP A 86 -9.717 -0.277 10.711 1.00 15.24 C ATOM 1222 CG ASP A 86 -11.059 0.293 11.190 1.00 2.44 C ATOM 1223 OD1 ASP A 86 -12.132 0.027 10.593 1.00 54.13 O ATOM 1224 OD2 ASP A 86 -11.072 0.976 12.238 1.00 63.14 O ATOM 0 H ASP A 86 -9.322 2.120 10.846 1.00 74.45 H new ATOM 0 HA ASP A 86 -8.087 0.033 9.365 1.00 51.54 H new ATOM 0 HB2 ASP A 86 -9.875 -1.300 10.369 1.00 15.24 H new ATOM 0 HB3 ASP A 86 -9.036 -0.327 11.561 1.00 15.24 H new ATOM 1228 N THR A 87 -9.344 1.272 7.297 1.00 0.34 N ATOM 1229 CA THR A 87 -9.613 1.022 5.903 1.00 2.12 C ATOM 1230 C THR A 87 -8.378 0.396 5.280 1.00 60.44 C ATOM 1231 O THR A 87 -7.243 0.761 5.582 1.00 2.52 O ATOM 1232 CB THR A 87 -10.042 2.306 5.177 1.00 31.20 C ATOM 1233 OG1 THR A 87 -10.371 2.010 3.838 1.00 51.21 O ATOM 1234 CG2 THR A 87 -9.043 3.465 5.215 1.00 2.40 C ATOM 0 H THR A 87 -8.766 2.095 7.468 1.00 0.34 H new ATOM 0 HA THR A 87 -10.449 0.329 5.805 1.00 2.12 H new ATOM 0 HB THR A 87 -10.907 2.663 5.736 1.00 31.20 H new ATOM 0 HG1 THR A 87 -10.646 2.831 3.379 1.00 51.21 H new ATOM 0 HG21 THR A 87 -9.452 4.316 4.671 1.00 2.40 H new ATOM 0 HG22 THR A 87 -8.857 3.751 6.250 1.00 2.40 H new ATOM 0 HG23 THR A 87 -8.107 3.154 4.751 1.00 2.40 H new ATOM 1242 N GLY A 88 -8.657 -0.531 4.374 1.00 75.10 N ATOM 1243 CA GLY A 88 -7.762 -1.020 3.352 1.00 62.23 C ATOM 1244 C GLY A 88 -7.448 -2.492 3.601 1.00 42.31 C ATOM 1245 O GLY A 88 -6.921 -2.818 4.669 1.00 22.43 O ATOM 0 H GLY A 88 -9.570 -0.984 4.337 1.00 75.10 H new ATOM 0 HA2 GLY A 88 -8.216 -0.897 2.369 1.00 62.23 H new ATOM 0 HA3 GLY A 88 -6.841 -0.437 3.353 1.00 62.23 H new ATOM 1249 N LEU A 89 -7.829 -3.381 2.673 1.00 55.53 N ATOM 1250 CA LEU A 89 -7.613 -4.819 2.840 1.00 5.13 C ATOM 1251 C LEU A 89 -6.437 -5.320 2.003 1.00 12.52 C ATOM 1252 O LEU A 89 -5.657 -6.141 2.405 1.00 65.00 O ATOM 1253 CB LEU A 89 -8.846 -5.617 2.426 1.00 41.12 C ATOM 1254 CG LEU A 89 -10.217 -5.141 2.912 1.00 63.32 C ATOM 1255 CD1 LEU A 89 -11.203 -6.257 2.592 1.00 12.53 C ATOM 1256 CD2 LEU A 89 -10.236 -4.887 4.411 1.00 64.31 C ATOM 0 H LEU A 89 -8.289 -3.126 1.799 1.00 55.53 H new ATOM 0 HA LEU A 89 -7.402 -4.968 3.899 1.00 5.13 H new ATOM 0 HB2 LEU A 89 -8.872 -5.647 1.337 1.00 41.12 H new ATOM 0 HB3 LEU A 89 -8.709 -6.642 2.770 1.00 41.12 H new ATOM 0 HG LEU A 89 -10.470 -4.201 2.421 1.00 63.32 H new ATOM 0 HD11 LEU A 89 -12.201 -5.966 2.920 1.00 12.53 H new ATOM 0 HD12 LEU A 89 -11.213 -6.437 1.517 1.00 12.53 H new ATOM 0 HD13 LEU A 89 -10.902 -7.168 3.109 1.00 12.53 H new ATOM 0 HD21 LEU A 89 -11.229 -4.551 4.711 1.00 64.31 H new ATOM 0 HD22 LEU A 89 -9.990 -5.808 4.939 1.00 64.31 H new ATOM 0 HD23 LEU A 89 -9.503 -4.119 4.659 1.00 64.31 H new ATOM 1267 N TYR A 90 -6.270 -4.764 0.832 1.00 65.04 N ATOM 1268 CA TYR A 90 -5.237 -5.011 -0.161 1.00 24.42 C ATOM 1269 C TYR A 90 -5.316 -6.469 -0.634 1.00 14.44 C ATOM 1270 O TYR A 90 -4.755 -7.384 -0.037 1.00 13.55 O ATOM 1271 CB TYR A 90 -3.861 -4.590 0.379 1.00 11.13 C ATOM 1272 CG TYR A 90 -3.845 -3.224 1.046 1.00 34.32 C ATOM 1273 CD1 TYR A 90 -4.211 -3.076 2.397 1.00 15.54 C ATOM 1274 CD2 TYR A 90 -3.507 -2.091 0.294 1.00 73.23 C ATOM 1275 CE1 TYR A 90 -4.287 -1.800 2.979 1.00 34.21 C ATOM 1276 CE2 TYR A 90 -3.562 -0.812 0.870 1.00 1.15 C ATOM 1277 CZ TYR A 90 -3.964 -0.661 2.216 1.00 62.14 C ATOM 1278 OH TYR A 90 -4.043 0.567 2.787 1.00 23.43 O ATOM 0 H TYR A 90 -6.921 -4.048 0.508 1.00 65.04 H new ATOM 0 HA TYR A 90 -5.399 -4.395 -1.045 1.00 24.42 H new ATOM 0 HB2 TYR A 90 -3.521 -5.336 1.097 1.00 11.13 H new ATOM 0 HB3 TYR A 90 -3.145 -4.589 -0.443 1.00 11.13 H new ATOM 0 HD1 TYR A 90 -4.435 -3.950 2.990 1.00 15.54 H new ATOM 0 HD2 TYR A 90 -3.202 -2.203 -0.736 1.00 73.23 H new ATOM 0 HE1 TYR A 90 -4.592 -1.692 4.009 1.00 34.21 H new ATOM 0 HE2 TYR A 90 -3.297 0.056 0.285 1.00 1.15 H new ATOM 0 HH TYR A 90 -3.797 0.504 3.734 1.00 23.43 H new ATOM 1287 N SER A 91 -6.090 -6.696 -1.699 1.00 50.44 N ATOM 1288 CA SER A 91 -6.118 -7.994 -2.358 1.00 4.34 C ATOM 1289 C SER A 91 -4.714 -8.345 -2.841 1.00 53.51 C ATOM 1290 O SER A 91 -3.887 -7.471 -3.123 1.00 71.23 O ATOM 1291 CB SER A 91 -7.134 -7.959 -3.506 1.00 24.42 C ATOM 1292 OG SER A 91 -7.042 -9.054 -4.396 1.00 54.50 O ATOM 0 H SER A 91 -6.702 -5.996 -2.118 1.00 50.44 H new ATOM 0 HA SER A 91 -6.433 -8.772 -1.662 1.00 4.34 H new ATOM 0 HB2 SER A 91 -8.139 -7.931 -3.086 1.00 24.42 H new ATOM 0 HB3 SER A 91 -6.998 -7.036 -4.069 1.00 24.42 H new ATOM 0 HG SER A 91 -7.720 -8.963 -5.098 1.00 54.50 H new ATOM 1297 N TRP A 92 -4.489 -9.641 -3.019 1.00 52.53 N ATOM 1298 CA TRP A 92 -3.252 -10.195 -3.533 1.00 41.30 C ATOM 1299 C TRP A 92 -2.872 -9.535 -4.861 1.00 64.12 C ATOM 1300 O TRP A 92 -1.714 -9.157 -5.056 1.00 13.34 O ATOM 1301 CB TRP A 92 -3.432 -11.711 -3.678 1.00 31.01 C ATOM 1302 CG TRP A 92 -4.039 -12.431 -2.505 1.00 34.42 C ATOM 1303 CD1 TRP A 92 -4.897 -13.473 -2.607 1.00 23.35 C ATOM 1304 CD2 TRP A 92 -3.900 -12.179 -1.065 1.00 71.34 C ATOM 1305 NE1 TRP A 92 -5.260 -13.895 -1.349 1.00 41.14 N ATOM 1306 CE2 TRP A 92 -4.618 -13.190 -0.363 1.00 41.11 C ATOM 1307 CE3 TRP A 92 -3.252 -11.211 -0.267 1.00 14.55 C ATOM 1308 CZ2 TRP A 92 -4.612 -13.299 1.035 1.00 21.21 C ATOM 1309 CZ3 TRP A 92 -3.276 -11.280 1.138 1.00 10.54 C ATOM 1310 CH2 TRP A 92 -3.919 -12.346 1.792 1.00 74.00 C ATOM 0 H TRP A 92 -5.186 -10.353 -2.802 1.00 52.53 H new ATOM 0 HA TRP A 92 -2.432 -9.996 -2.843 1.00 41.30 H new ATOM 0 HB2 TRP A 92 -4.055 -11.898 -4.553 1.00 31.01 H new ATOM 0 HB3 TRP A 92 -2.456 -12.152 -3.881 1.00 31.01 H new ATOM 0 HD1 TRP A 92 -5.243 -13.906 -3.534 1.00 23.35 H new ATOM 0 HE1 TRP A 92 -5.928 -14.644 -1.170 1.00 41.14 H new ATOM 0 HE3 TRP A 92 -2.726 -10.399 -0.746 1.00 14.55 H new ATOM 0 HZ2 TRP A 92 -5.136 -14.108 1.522 1.00 21.21 H new ATOM 0 HZ3 TRP A 92 -2.796 -10.507 1.720 1.00 10.54 H new ATOM 0 HH2 TRP A 92 -3.879 -12.429 2.868 1.00 74.00 H new ATOM 1320 N LYS A 93 -3.856 -9.341 -5.752 1.00 3.53 N ATOM 1321 CA LYS A 93 -3.643 -8.711 -7.056 1.00 5.12 C ATOM 1322 C LYS A 93 -3.206 -7.252 -6.898 1.00 74.32 C ATOM 1323 O LYS A 93 -2.344 -6.790 -7.644 1.00 64.42 O ATOM 1324 CB LYS A 93 -4.916 -8.822 -7.909 1.00 12.22 C ATOM 1325 CG LYS A 93 -4.606 -8.665 -9.410 1.00 32.13 C ATOM 1326 CD LYS A 93 -5.852 -8.254 -10.201 1.00 71.11 C ATOM 1327 CE LYS A 93 -5.484 -8.001 -11.668 1.00 65.52 C ATOM 1328 NZ LYS A 93 -6.542 -7.268 -12.394 1.00 73.11 N ATOM 0 H LYS A 93 -4.823 -9.619 -5.584 1.00 3.53 H new ATOM 0 HA LYS A 93 -2.838 -9.237 -7.569 1.00 5.12 H new ATOM 0 HB2 LYS A 93 -5.390 -9.788 -7.733 1.00 12.22 H new ATOM 0 HB3 LYS A 93 -5.629 -8.057 -7.602 1.00 12.22 H new ATOM 0 HG2 LYS A 93 -3.825 -7.917 -9.545 1.00 32.13 H new ATOM 0 HG3 LYS A 93 -4.218 -9.605 -9.803 1.00 32.13 H new ATOM 0 HD2 LYS A 93 -6.608 -9.037 -10.137 1.00 71.11 H new ATOM 0 HD3 LYS A 93 -6.288 -7.354 -9.767 1.00 71.11 H new ATOM 0 HE2 LYS A 93 -4.555 -7.433 -11.714 1.00 65.52 H new ATOM 0 HE3 LYS A 93 -5.300 -8.954 -12.164 1.00 65.52 H new ATOM 0 HZ1 LYS A 93 -6.248 -7.121 -13.381 1.00 73.11 H new ATOM 0 HZ2 LYS A 93 -7.423 -7.820 -12.374 1.00 73.11 H new ATOM 0 HZ3 LYS A 93 -6.701 -6.346 -11.939 1.00 73.11 H new ATOM 1338 N VAL A 94 -3.805 -6.524 -5.952 1.00 72.14 N ATOM 1339 CA VAL A 94 -3.495 -5.120 -5.701 1.00 61.04 C ATOM 1340 C VAL A 94 -2.043 -5.016 -5.252 1.00 61.13 C ATOM 1341 O VAL A 94 -1.269 -4.266 -5.841 1.00 23.44 O ATOM 1342 CB VAL A 94 -4.464 -4.528 -4.658 1.00 3.15 C ATOM 1343 CG1 VAL A 94 -4.096 -3.096 -4.281 1.00 15.31 C ATOM 1344 CG2 VAL A 94 -5.915 -4.512 -5.152 1.00 62.30 C ATOM 0 H VAL A 94 -4.525 -6.899 -5.335 1.00 72.14 H new ATOM 0 HA VAL A 94 -3.623 -4.538 -6.614 1.00 61.04 H new ATOM 0 HB VAL A 94 -4.375 -5.181 -3.790 1.00 3.15 H new ATOM 0 HG11 VAL A 94 -4.806 -2.720 -3.544 1.00 15.31 H new ATOM 0 HG12 VAL A 94 -3.091 -3.078 -3.859 1.00 15.31 H new ATOM 0 HG13 VAL A 94 -4.128 -2.466 -5.170 1.00 15.31 H new ATOM 0 HG21 VAL A 94 -6.557 -4.086 -4.381 1.00 62.30 H new ATOM 0 HG22 VAL A 94 -5.985 -3.908 -6.057 1.00 62.30 H new ATOM 0 HG23 VAL A 94 -6.236 -5.530 -5.370 1.00 62.30 H new ATOM 1354 N LEU A 95 -1.673 -5.760 -4.207 1.00 61.33 N ATOM 1355 CA LEU A 95 -0.342 -5.684 -3.619 1.00 53.10 C ATOM 1356 C LEU A 95 0.731 -5.993 -4.658 1.00 50.31 C ATOM 1357 O LEU A 95 1.764 -5.329 -4.661 1.00 62.02 O ATOM 1358 CB LEU A 95 -0.251 -6.675 -2.455 1.00 70.43 C ATOM 1359 CG LEU A 95 -1.016 -6.269 -1.187 1.00 70.24 C ATOM 1360 CD1 LEU A 95 -0.965 -7.404 -0.162 1.00 1.24 C ATOM 1361 CD2 LEU A 95 -0.456 -4.989 -0.551 1.00 62.40 C ATOM 0 H LEU A 95 -2.290 -6.430 -3.748 1.00 61.33 H new ATOM 0 HA LEU A 95 -0.173 -4.671 -3.254 1.00 53.10 H new ATOM 0 HB2 LEU A 95 -0.626 -7.641 -2.792 1.00 70.43 H new ATOM 0 HB3 LEU A 95 0.799 -6.813 -2.198 1.00 70.43 H new ATOM 0 HG LEU A 95 -2.046 -6.071 -1.484 1.00 70.24 H new ATOM 0 HD11 LEU A 95 -1.510 -7.109 0.735 1.00 1.24 H new ATOM 0 HD12 LEU A 95 -1.422 -8.298 -0.586 1.00 1.24 H new ATOM 0 HD13 LEU A 95 0.073 -7.614 0.097 1.00 1.24 H new ATOM 0 HD21 LEU A 95 -1.031 -4.745 0.342 1.00 62.40 H new ATOM 0 HD22 LEU A 95 0.588 -5.145 -0.279 1.00 62.40 H new ATOM 0 HD23 LEU A 95 -0.526 -4.168 -1.264 1.00 62.40 H new ATOM 1372 N TYR A 96 0.479 -6.979 -5.527 1.00 5.12 N ATOM 1373 CA TYR A 96 1.379 -7.334 -6.613 1.00 2.22 C ATOM 1374 C TYR A 96 1.576 -6.124 -7.528 1.00 22.13 C ATOM 1375 O TYR A 96 2.703 -5.677 -7.699 1.00 22.22 O ATOM 1376 CB TYR A 96 0.855 -8.581 -7.354 1.00 3.01 C ATOM 1377 CG TYR A 96 1.895 -9.460 -8.042 1.00 4.25 C ATOM 1378 CD1 TYR A 96 3.139 -8.949 -8.466 1.00 50.01 C ATOM 1379 CD2 TYR A 96 1.639 -10.840 -8.190 1.00 42.43 C ATOM 1380 CE1 TYR A 96 4.095 -9.794 -9.044 1.00 23.13 C ATOM 1381 CE2 TYR A 96 2.608 -11.696 -8.744 1.00 45.23 C ATOM 1382 CZ TYR A 96 3.827 -11.167 -9.219 1.00 2.02 C ATOM 1383 OH TYR A 96 4.740 -11.969 -9.831 1.00 3.05 O ATOM 0 H TYR A 96 -0.363 -7.553 -5.490 1.00 5.12 H new ATOM 0 HA TYR A 96 2.360 -7.602 -6.221 1.00 2.22 H new ATOM 0 HB2 TYR A 96 0.309 -9.197 -6.639 1.00 3.01 H new ATOM 0 HB3 TYR A 96 0.137 -8.253 -8.105 1.00 3.01 H new ATOM 0 HD1 TYR A 96 3.356 -7.898 -8.344 1.00 50.01 H new ATOM 0 HD2 TYR A 96 0.688 -11.243 -7.874 1.00 42.43 H new ATOM 0 HE1 TYR A 96 5.046 -9.390 -9.358 1.00 23.13 H new ATOM 0 HE2 TYR A 96 2.419 -12.758 -8.806 1.00 45.23 H new ATOM 0 HH TYR A 96 4.397 -12.886 -9.868 1.00 3.05 H new ATOM 1392 N ASP A 97 0.503 -5.571 -8.098 1.00 32.35 N ATOM 1393 CA ASP A 97 0.603 -4.481 -9.072 1.00 52.10 C ATOM 1394 C ASP A 97 1.354 -3.288 -8.510 1.00 42.30 C ATOM 1395 O ASP A 97 2.226 -2.737 -9.181 1.00 64.10 O ATOM 1396 CB ASP A 97 -0.790 -4.040 -9.529 1.00 51.21 C ATOM 1397 CG ASP A 97 -0.692 -3.167 -10.781 1.00 14.05 C ATOM 1398 OD1 ASP A 97 -0.608 -3.751 -11.889 1.00 44.42 O ATOM 1399 OD2 ASP A 97 -0.729 -1.921 -10.638 1.00 61.30 O ATOM 0 H ASP A 97 -0.454 -5.863 -7.899 1.00 32.35 H new ATOM 0 HA ASP A 97 1.163 -4.864 -9.925 1.00 52.10 H new ATOM 0 HB2 ASP A 97 -1.405 -4.916 -9.736 1.00 51.21 H new ATOM 0 HB3 ASP A 97 -1.283 -3.486 -8.730 1.00 51.21 H new ATOM 1403 N LEU A 98 1.060 -2.927 -7.263 1.00 0.12 N ATOM 1404 CA LEU A 98 1.704 -1.802 -6.612 1.00 34.45 C ATOM 1405 C LEU A 98 3.187 -2.084 -6.460 1.00 42.03 C ATOM 1406 O LEU A 98 3.983 -1.289 -6.940 1.00 40.24 O ATOM 1407 CB LEU A 98 1.036 -1.522 -5.259 1.00 42.22 C ATOM 1408 CG LEU A 98 -0.424 -1.067 -5.420 1.00 40.10 C ATOM 1409 CD1 LEU A 98 -1.060 -0.856 -4.042 1.00 32.43 C ATOM 1410 CD2 LEU A 98 -0.539 0.227 -6.214 1.00 72.43 C ATOM 0 H LEU A 98 0.372 -3.407 -6.683 1.00 0.12 H new ATOM 0 HA LEU A 98 1.591 -0.907 -7.224 1.00 34.45 H new ATOM 0 HB2 LEU A 98 1.070 -2.422 -4.645 1.00 42.22 H new ATOM 0 HB3 LEU A 98 1.599 -0.754 -4.729 1.00 42.22 H new ATOM 0 HG LEU A 98 -0.945 -1.852 -5.968 1.00 40.10 H new ATOM 0 HD11 LEU A 98 -2.094 -0.534 -4.164 1.00 32.43 H new ATOM 0 HD12 LEU A 98 -1.035 -1.791 -3.483 1.00 32.43 H new ATOM 0 HD13 LEU A 98 -0.504 -0.093 -3.498 1.00 32.43 H new ATOM 0 HD21 LEU A 98 -1.588 0.508 -6.301 1.00 72.43 H new ATOM 0 HD22 LEU A 98 0.007 1.018 -5.701 1.00 72.43 H new ATOM 0 HD23 LEU A 98 -0.118 0.082 -7.209 1.00 72.43 H new ATOM 1421 N ALA A 99 3.579 -3.209 -5.858 1.00 31.34 N ATOM 1422 CA ALA A 99 4.988 -3.553 -5.698 1.00 2.32 C ATOM 1423 C ALA A 99 5.718 -3.682 -7.036 1.00 32.44 C ATOM 1424 O ALA A 99 6.919 -3.422 -7.094 1.00 64.33 O ATOM 1425 CB ALA A 99 5.116 -4.860 -4.924 1.00 43.21 C ATOM 0 H ALA A 99 2.934 -3.899 -5.472 1.00 31.34 H new ATOM 0 HA ALA A 99 5.455 -2.737 -5.147 1.00 2.32 H new ATOM 0 HB1 ALA A 99 6.170 -5.112 -4.807 1.00 43.21 H new ATOM 0 HB2 ALA A 99 4.659 -4.747 -3.941 1.00 43.21 H new ATOM 0 HB3 ALA A 99 4.611 -5.657 -5.469 1.00 43.21 H new ATOM 1431 N SER A 100 5.026 -4.088 -8.102 1.00 45.44 N ATOM 1432 CA SER A 100 5.579 -4.174 -9.441 1.00 64.52 C ATOM 1433 C SER A 100 5.893 -2.802 -10.057 1.00 34.41 C ATOM 1434 O SER A 100 6.633 -2.785 -11.046 1.00 20.44 O ATOM 1435 CB SER A 100 4.630 -4.980 -10.331 1.00 53.21 C ATOM 1436 OG SER A 100 4.777 -6.367 -10.081 1.00 74.44 O ATOM 0 H SER A 100 4.047 -4.370 -8.050 1.00 45.44 H new ATOM 0 HA SER A 100 6.538 -4.686 -9.369 1.00 64.52 H new ATOM 0 HB2 SER A 100 3.600 -4.677 -10.143 1.00 53.21 H new ATOM 0 HB3 SER A 100 4.838 -4.769 -11.380 1.00 53.21 H new ATOM 0 HG SER A 100 4.163 -6.870 -10.656 1.00 74.44 H new ATOM 1441 N ASN A 101 5.348 -1.695 -9.531 1.00 34.51 N ATOM 1442 CA ASN A 101 5.363 -0.358 -10.150 1.00 44.04 C ATOM 1443 C ASN A 101 5.704 0.781 -9.182 1.00 12.24 C ATOM 1444 O ASN A 101 5.464 1.947 -9.504 1.00 11.03 O ATOM 1445 CB ASN A 101 3.995 -0.070 -10.791 1.00 64.44 C ATOM 1446 CG ASN A 101 3.688 -0.970 -11.973 1.00 71.20 C ATOM 1447 OD1 ASN A 101 4.165 -0.765 -13.084 1.00 0.21 O ATOM 1448 ND2 ASN A 101 2.836 -1.960 -11.772 1.00 72.42 N ATOM 0 H ASN A 101 4.867 -1.705 -8.631 1.00 34.51 H new ATOM 0 HA ASN A 101 6.158 -0.385 -10.895 1.00 44.04 H new ATOM 0 HB2 ASN A 101 3.216 -0.191 -10.039 1.00 64.44 H new ATOM 0 HB3 ASN A 101 3.965 0.970 -11.117 1.00 64.44 H new ATOM 0 HD21 ASN A 101 2.567 -2.566 -12.547 1.00 72.42 H new ATOM 0 HD22 ASN A 101 2.448 -2.118 -10.842 1.00 72.42 H new ATOM 1454 N GLN A 102 6.158 0.486 -7.960 1.00 20.55 N ATOM 1455 CA GLN A 102 5.889 1.369 -6.823 1.00 22.53 C ATOM 1456 C GLN A 102 6.662 2.680 -6.911 1.00 3.03 C ATOM 1457 O GLN A 102 6.217 3.704 -6.390 1.00 24.21 O ATOM 1458 CB GLN A 102 6.121 0.687 -5.456 1.00 2.14 C ATOM 1459 CG GLN A 102 7.475 -0.017 -5.237 1.00 35.52 C ATOM 1460 CD GLN A 102 7.574 -0.572 -3.812 1.00 2.05 C ATOM 1461 OE1 GLN A 102 7.480 0.167 -2.833 1.00 53.34 O ATOM 1462 NE2 GLN A 102 7.735 -1.876 -3.632 1.00 0.34 N ATOM 0 H GLN A 102 6.705 -0.345 -7.735 1.00 20.55 H new ATOM 0 HA GLN A 102 4.826 1.602 -6.887 1.00 22.53 H new ATOM 0 HB2 GLN A 102 6.004 1.442 -4.678 1.00 2.14 H new ATOM 0 HB3 GLN A 102 5.331 -0.049 -5.308 1.00 2.14 H new ATOM 0 HG2 GLN A 102 7.589 -0.827 -5.957 1.00 35.52 H new ATOM 0 HG3 GLN A 102 8.289 0.686 -5.416 1.00 35.52 H new ATOM 0 HE21 GLN A 102 7.814 -2.496 -4.438 1.00 0.34 H new ATOM 0 HE22 GLN A 102 7.780 -2.259 -2.688 1.00 0.34 H new ATOM 1469 N VAL A 103 7.818 2.638 -7.565 1.00 13.23 N ATOM 1470 CA VAL A 103 8.650 3.786 -7.845 1.00 35.34 C ATOM 1471 C VAL A 103 7.866 4.786 -8.687 1.00 4.31 C ATOM 1472 O VAL A 103 7.671 5.932 -8.296 1.00 11.22 O ATOM 1473 CB VAL A 103 9.920 3.256 -8.534 1.00 22.43 C ATOM 1474 CG1 VAL A 103 10.756 4.350 -9.201 1.00 24.23 C ATOM 1475 CG2 VAL A 103 10.804 2.548 -7.497 1.00 63.11 C ATOM 0 H VAL A 103 8.209 1.767 -7.925 1.00 13.23 H new ATOM 0 HA VAL A 103 8.946 4.325 -6.945 1.00 35.34 H new ATOM 0 HB VAL A 103 9.582 2.575 -9.315 1.00 22.43 H new ATOM 0 HG11 VAL A 103 11.635 3.904 -9.666 1.00 24.23 H new ATOM 0 HG12 VAL A 103 10.158 4.852 -9.962 1.00 24.23 H new ATOM 0 HG13 VAL A 103 11.071 5.075 -8.451 1.00 24.23 H new ATOM 0 HG21 VAL A 103 11.704 2.172 -7.983 1.00 63.11 H new ATOM 0 HG22 VAL A 103 11.082 3.253 -6.714 1.00 63.11 H new ATOM 0 HG23 VAL A 103 10.254 1.716 -7.057 1.00 63.11 H new ATOM 1485 N ASP A 104 7.466 4.358 -9.873 1.00 43.13 N ATOM 1486 CA ASP A 104 6.890 5.197 -10.913 1.00 4.02 C ATOM 1487 C ASP A 104 5.576 5.800 -10.476 1.00 60.42 C ATOM 1488 O ASP A 104 5.244 6.954 -10.758 1.00 55.35 O ATOM 1489 CB ASP A 104 6.585 4.301 -12.100 1.00 32.43 C ATOM 1490 CG ASP A 104 7.849 4.122 -12.941 1.00 72.42 C ATOM 1491 OD1 ASP A 104 8.198 5.078 -13.682 1.00 61.45 O ATOM 1492 OD2 ASP A 104 8.509 3.077 -12.815 1.00 54.21 O ATOM 0 H ASP A 104 7.536 3.379 -10.149 1.00 43.13 H new ATOM 0 HA ASP A 104 7.593 5.997 -11.145 1.00 4.02 H new ATOM 0 HB2 ASP A 104 6.225 3.332 -11.755 1.00 32.43 H new ATOM 0 HB3 ASP A 104 5.791 4.739 -12.705 1.00 32.43 H new ATOM 1496 N LEU A 105 4.776 4.944 -9.852 1.00 13.20 N ATOM 1497 CA LEU A 105 3.436 5.279 -9.453 1.00 2.20 C ATOM 1498 C LEU A 105 3.522 6.346 -8.357 1.00 20.34 C ATOM 1499 O LEU A 105 2.694 7.256 -8.345 1.00 14.12 O ATOM 1500 CB LEU A 105 2.683 3.964 -9.171 1.00 73.32 C ATOM 1501 CG LEU A 105 2.905 3.217 -7.882 1.00 3.33 C ATOM 1502 CD1 LEU A 105 2.554 4.045 -6.672 1.00 12.02 C ATOM 1503 CD2 LEU A 105 2.138 1.899 -7.849 1.00 15.11 C ATOM 0 H LEU A 105 5.052 3.992 -9.612 1.00 13.20 H new ATOM 0 HA LEU A 105 2.822 5.758 -10.216 1.00 2.20 H new ATOM 0 HB2 LEU A 105 1.617 4.183 -9.236 1.00 73.32 H new ATOM 0 HB3 LEU A 105 2.918 3.278 -9.985 1.00 73.32 H new ATOM 0 HG LEU A 105 3.972 2.998 -7.844 1.00 3.33 H new ATOM 0 HD11 LEU A 105 2.731 3.462 -5.768 1.00 12.02 H new ATOM 0 HD12 LEU A 105 3.173 4.942 -6.653 1.00 12.02 H new ATOM 0 HD13 LEU A 105 1.503 4.331 -6.719 1.00 12.02 H new ATOM 0 HD21 LEU A 105 2.326 1.392 -6.902 1.00 15.11 H new ATOM 0 HD22 LEU A 105 1.071 2.097 -7.949 1.00 15.11 H new ATOM 0 HD23 LEU A 105 2.468 1.265 -8.672 1.00 15.11 H new ATOM 1514 N TRP A 106 4.554 6.288 -7.503 1.00 31.43 N ATOM 1515 CA TRP A 106 4.810 7.274 -6.465 1.00 31.13 C ATOM 1516 C TRP A 106 5.248 8.587 -7.095 1.00 71.31 C ATOM 1517 O TRP A 106 4.780 9.658 -6.696 1.00 40.22 O ATOM 1518 CB TRP A 106 5.887 6.723 -5.515 1.00 11.40 C ATOM 1519 CG TRP A 106 6.354 7.654 -4.442 1.00 32.42 C ATOM 1520 CD1 TRP A 106 7.621 8.086 -4.263 1.00 54.24 C ATOM 1521 CD2 TRP A 106 5.567 8.250 -3.377 1.00 11.00 C ATOM 1522 NE1 TRP A 106 7.659 8.934 -3.171 1.00 71.13 N ATOM 1523 CE2 TRP A 106 6.412 9.100 -2.608 1.00 24.23 C ATOM 1524 CE3 TRP A 106 4.220 8.136 -2.983 1.00 51.05 C ATOM 1525 CZ2 TRP A 106 5.933 9.835 -1.514 1.00 14.33 C ATOM 1526 CZ3 TRP A 106 3.729 8.867 -1.889 1.00 64.11 C ATOM 1527 CH2 TRP A 106 4.579 9.722 -1.170 1.00 3.10 C ATOM 0 H TRP A 106 5.243 5.536 -7.522 1.00 31.43 H new ATOM 0 HA TRP A 106 3.902 7.467 -5.894 1.00 31.13 H new ATOM 0 HB2 TRP A 106 5.499 5.821 -5.042 1.00 11.40 H new ATOM 0 HB3 TRP A 106 6.750 6.425 -6.110 1.00 11.40 H new ATOM 0 HD1 TRP A 106 8.468 7.813 -4.874 1.00 54.24 H new ATOM 0 HE1 TRP A 106 8.507 9.382 -2.824 1.00 71.13 H new ATOM 0 HE3 TRP A 106 3.558 7.480 -3.528 1.00 51.05 H new ATOM 0 HZ2 TRP A 106 6.594 10.475 -0.948 1.00 14.33 H new ATOM 0 HZ3 TRP A 106 2.693 8.771 -1.600 1.00 64.11 H new ATOM 0 HH2 TRP A 106 4.186 10.298 -0.345 1.00 3.10 H new ATOM 1537 N GLU A 107 6.118 8.487 -8.095 1.00 15.23 N ATOM 1538 CA GLU A 107 6.746 9.624 -8.753 1.00 74.42 C ATOM 1539 C GLU A 107 5.669 10.543 -9.315 1.00 40.35 C ATOM 1540 O GLU A 107 5.629 11.743 -9.033 1.00 35.30 O ATOM 1541 CB GLU A 107 7.637 9.113 -9.899 1.00 1.31 C ATOM 1542 CG GLU A 107 8.985 9.829 -9.933 1.00 20.53 C ATOM 1543 CD GLU A 107 9.500 10.053 -11.349 1.00 44.44 C ATOM 1544 OE1 GLU A 107 9.716 9.048 -12.072 1.00 73.34 O ATOM 1545 OE2 GLU A 107 9.768 11.212 -11.729 1.00 42.33 O ATOM 0 H GLU A 107 6.412 7.589 -8.479 1.00 15.23 H new ATOM 0 HA GLU A 107 7.353 10.177 -8.035 1.00 74.42 H new ATOM 0 HB2 GLU A 107 7.798 8.041 -9.784 1.00 1.31 H new ATOM 0 HB3 GLU A 107 7.125 9.258 -10.850 1.00 1.31 H new ATOM 0 HG2 GLU A 107 8.893 10.791 -9.429 1.00 20.53 H new ATOM 0 HG3 GLU A 107 9.716 9.245 -9.374 1.00 20.53 H new ATOM 1550 N ASN A 108 4.740 9.938 -10.059 1.00 4.12 N ATOM 1551 CA ASN A 108 3.556 10.580 -10.604 1.00 1.42 C ATOM 1552 C ASN A 108 2.759 11.400 -9.572 1.00 15.13 C ATOM 1553 O ASN A 108 2.180 12.412 -9.962 1.00 35.52 O ATOM 1554 CB ASN A 108 2.753 9.550 -11.427 1.00 52.05 C ATOM 1555 CG ASN A 108 1.276 9.584 -11.102 1.00 12.03 C ATOM 1556 OD1 ASN A 108 0.431 10.119 -11.822 1.00 74.35 O ATOM 1557 ND2 ASN A 108 0.980 9.026 -9.950 1.00 20.31 N ATOM 0 H ASN A 108 4.800 8.950 -10.304 1.00 4.12 H new ATOM 0 HA ASN A 108 3.858 11.363 -11.299 1.00 1.42 H new ATOM 0 HB2 ASN A 108 2.894 9.748 -12.490 1.00 52.05 H new ATOM 0 HB3 ASN A 108 3.143 8.550 -11.234 1.00 52.05 H new ATOM 0 HD21 ASN A 108 0.016 9.024 -9.617 1.00 20.31 H new ATOM 0 HD22 ASN A 108 1.714 8.595 -9.388 1.00 20.31 H new ATOM 1563 N TYR A 109 2.736 11.046 -8.282 1.00 0.11 N ATOM 1564 CA TYR A 109 2.054 11.845 -7.258 1.00 72.22 C ATOM 1565 C TYR A 109 2.861 13.062 -6.849 1.00 13.34 C ATOM 1566 O TYR A 109 2.276 14.111 -6.561 1.00 61.24 O ATOM 1567 CB TYR A 109 1.737 11.009 -6.016 1.00 23.50 C ATOM 1568 CG TYR A 109 0.834 9.825 -6.284 1.00 22.11 C ATOM 1569 CD1 TYR A 109 -0.282 9.947 -7.139 1.00 12.01 C ATOM 1570 CD2 TYR A 109 1.146 8.581 -5.702 1.00 61.14 C ATOM 1571 CE1 TYR A 109 -1.035 8.812 -7.472 1.00 74.12 C ATOM 1572 CE2 TYR A 109 0.389 7.444 -6.021 1.00 32.31 C ATOM 1573 CZ TYR A 109 -0.674 7.556 -6.941 1.00 34.34 C ATOM 1574 OH TYR A 109 -1.403 6.465 -7.263 1.00 31.54 O ATOM 0 H TYR A 109 3.186 10.205 -7.921 1.00 0.11 H new ATOM 0 HA TYR A 109 1.122 12.185 -7.710 1.00 72.22 H new ATOM 0 HB2 TYR A 109 2.671 10.650 -5.585 1.00 23.50 H new ATOM 0 HB3 TYR A 109 1.267 11.650 -5.270 1.00 23.50 H new ATOM 0 HD1 TYR A 109 -0.556 10.913 -7.536 1.00 12.01 H new ATOM 0 HD2 TYR A 109 1.970 8.502 -5.008 1.00 61.14 H new ATOM 0 HE1 TYR A 109 -1.886 8.899 -8.131 1.00 74.12 H new ATOM 0 HE2 TYR A 109 0.618 6.492 -5.566 1.00 32.31 H new ATOM 0 HH TYR A 109 -0.981 5.666 -6.884 1.00 31.54 H new ATOM 1583 N LEU A 110 4.186 12.959 -6.819 1.00 14.10 N ATOM 1584 CA LEU A 110 5.038 14.101 -6.529 1.00 52.14 C ATOM 1585 C LEU A 110 4.900 15.145 -7.639 1.00 35.40 C ATOM 1586 O LEU A 110 4.972 16.345 -7.357 1.00 3.20 O ATOM 1587 CB LEU A 110 6.489 13.629 -6.360 1.00 33.31 C ATOM 1588 CG LEU A 110 6.654 12.494 -5.328 1.00 75.14 C ATOM 1589 CD1 LEU A 110 8.144 12.209 -5.173 1.00 22.43 C ATOM 1590 CD2 LEU A 110 6.016 12.807 -3.964 1.00 73.33 C ATOM 0 H LEU A 110 4.692 12.091 -6.993 1.00 14.10 H new ATOM 0 HA LEU A 110 4.730 14.571 -5.595 1.00 52.14 H new ATOM 0 HB2 LEU A 110 6.866 13.289 -7.325 1.00 33.31 H new ATOM 0 HB3 LEU A 110 7.105 14.476 -6.057 1.00 33.31 H new ATOM 0 HG LEU A 110 6.124 11.618 -5.700 1.00 75.14 H new ATOM 0 HD11 LEU A 110 8.288 11.409 -4.447 1.00 22.43 H new ATOM 0 HD12 LEU A 110 8.558 11.906 -6.134 1.00 22.43 H new ATOM 0 HD13 LEU A 110 8.652 13.109 -4.826 1.00 22.43 H new ATOM 0 HD21 LEU A 110 6.170 11.966 -3.288 1.00 73.33 H new ATOM 0 HD22 LEU A 110 6.478 13.700 -3.543 1.00 73.33 H new ATOM 0 HD23 LEU A 110 4.947 12.977 -4.093 1.00 73.33 H new ATOM 1601 N ALA A 111 4.603 14.709 -8.870 1.00 53.21 N ATOM 1602 CA ALA A 111 4.184 15.563 -9.974 1.00 55.31 C ATOM 1603 C ALA A 111 2.775 16.128 -9.746 1.00 60.11 C ATOM 1604 O ALA A 111 2.621 17.349 -9.624 1.00 0.00 O ATOM 1605 CB ALA A 111 4.301 14.791 -11.293 1.00 75.31 C ATOM 0 H ALA A 111 4.651 13.723 -9.126 1.00 53.21 H new ATOM 0 HA ALA A 111 4.847 16.427 -10.029 1.00 55.31 H new ATOM 0 HB1 ALA A 111 3.987 15.431 -12.118 1.00 75.31 H new ATOM 0 HB2 ALA A 111 5.336 14.485 -11.445 1.00 75.31 H new ATOM 0 HB3 ALA A 111 3.663 13.908 -11.256 1.00 75.31 H new ATOM 1611 N ARG A 112 1.755 15.272 -9.616 1.00 14.33 N ATOM 1612 CA ARG A 112 0.345 15.685 -9.496 1.00 74.15 C ATOM 1613 C ARG A 112 0.111 16.648 -8.329 1.00 51.03 C ATOM 1614 O ARG A 112 -0.820 17.450 -8.368 1.00 44.44 O ATOM 1615 CB ARG A 112 -0.571 14.450 -9.384 1.00 22.33 C ATOM 1616 CG ARG A 112 -0.491 13.530 -10.621 1.00 4.24 C ATOM 1617 CD ARG A 112 -1.754 13.415 -11.473 1.00 55.04 C ATOM 1618 NE ARG A 112 -1.485 13.566 -12.919 1.00 52.03 N ATOM 1619 CZ ARG A 112 -2.425 13.660 -13.868 1.00 15.00 C ATOM 1620 NH1 ARG A 112 -3.709 13.639 -13.529 1.00 52.22 N ATOM 1621 NH2 ARG A 112 -2.103 13.788 -15.149 1.00 35.30 N ATOM 0 H ARG A 112 1.883 14.260 -9.590 1.00 14.33 H new ATOM 0 HA ARG A 112 0.092 16.231 -10.405 1.00 74.15 H new ATOM 0 HB2 ARG A 112 -0.298 13.881 -8.496 1.00 22.33 H new ATOM 0 HB3 ARG A 112 -1.601 14.779 -9.248 1.00 22.33 H new ATOM 0 HG2 ARG A 112 0.318 13.886 -11.258 1.00 4.24 H new ATOM 0 HG3 ARG A 112 -0.215 12.531 -10.285 1.00 4.24 H new ATOM 0 HD2 ARG A 112 -2.221 12.446 -11.294 1.00 55.04 H new ATOM 0 HD3 ARG A 112 -2.469 14.176 -11.160 1.00 55.04 H new ATOM 0 HE ARG A 112 -0.510 13.601 -13.216 1.00 52.03 H new ATOM 0 HH11 ARG A 112 -3.976 13.552 -12.549 1.00 52.22 H new ATOM 0 HH12 ARG A 112 -4.428 13.710 -14.249 1.00 52.22 H new ATOM 0 HH21 ARG A 112 -1.122 13.816 -15.428 1.00 35.30 H new ATOM 0 HH22 ARG A 112 -2.836 13.858 -15.855 1.00 35.30 H new ATOM 1632 N LEU A 113 0.988 16.640 -7.322 1.00 3.44 N ATOM 1633 CA LEU A 113 0.980 17.547 -6.193 1.00 21.43 C ATOM 1634 C LEU A 113 1.004 18.981 -6.687 1.00 73.22 C ATOM 1635 O LEU A 113 0.037 19.709 -6.445 1.00 15.40 O ATOM 1636 CB LEU A 113 2.154 17.228 -5.252 1.00 12.04 C ATOM 1637 CG LEU A 113 2.386 18.262 -4.131 1.00 42.41 C ATOM 1638 CD1 LEU A 113 1.113 18.631 -3.374 1.00 62.33 C ATOM 1639 CD2 LEU A 113 3.362 17.730 -3.081 1.00 23.31 C ATOM 0 H LEU A 113 1.754 15.967 -7.278 1.00 3.44 H new ATOM 0 HA LEU A 113 0.064 17.417 -5.617 1.00 21.43 H new ATOM 0 HB2 LEU A 113 1.981 16.253 -4.797 1.00 12.04 H new ATOM 0 HB3 LEU A 113 3.065 17.146 -5.845 1.00 12.04 H new ATOM 0 HG LEU A 113 2.777 19.139 -4.646 1.00 42.41 H new ATOM 0 HD11 LEU A 113 1.349 19.362 -2.600 1.00 62.33 H new ATOM 0 HD12 LEU A 113 0.388 19.057 -4.067 1.00 62.33 H new ATOM 0 HD13 LEU A 113 0.692 17.738 -2.913 1.00 62.33 H new ATOM 0 HD21 LEU A 113 3.505 18.481 -2.304 1.00 23.31 H new ATOM 0 HD22 LEU A 113 2.958 16.820 -2.636 1.00 23.31 H new ATOM 0 HD23 LEU A 113 4.319 17.509 -3.553 1.00 23.31 H new ATOM 1650 N ARG A 114 2.074 19.422 -7.374 1.00 73.11 N ATOM 1651 CA ARG A 114 2.086 20.829 -7.765 1.00 14.02 C ATOM 1652 C ARG A 114 1.135 21.123 -8.927 1.00 51.25 C ATOM 1653 O ARG A 114 0.939 22.289 -9.272 1.00 43.22 O ATOM 1654 CB ARG A 114 3.489 21.374 -8.057 1.00 73.22 C ATOM 1655 CG ARG A 114 4.415 21.550 -6.837 1.00 71.23 C ATOM 1656 CD ARG A 114 5.466 20.442 -6.780 1.00 4.00 C ATOM 1657 NE ARG A 114 6.537 20.682 -5.808 1.00 61.42 N ATOM 1658 CZ ARG A 114 6.542 20.343 -4.520 1.00 0.12 C ATOM 1659 NH1 ARG A 114 5.410 20.133 -3.860 1.00 14.22 N ATOM 1660 NH2 ARG A 114 7.706 20.208 -3.900 1.00 34.54 N ATOM 0 H ARG A 114 2.883 18.866 -7.650 1.00 73.11 H new ATOM 0 HA ARG A 114 1.719 21.363 -6.889 1.00 14.02 H new ATOM 0 HB2 ARG A 114 3.977 20.704 -8.765 1.00 73.22 H new ATOM 0 HB3 ARG A 114 3.386 22.340 -8.552 1.00 73.22 H new ATOM 0 HG2 ARG A 114 4.908 22.521 -6.888 1.00 71.23 H new ATOM 0 HG3 ARG A 114 3.822 21.541 -5.922 1.00 71.23 H new ATOM 0 HD2 ARG A 114 4.973 19.501 -6.536 1.00 4.00 H new ATOM 0 HD3 ARG A 114 5.908 20.324 -7.769 1.00 4.00 H new ATOM 0 HE ARG A 114 7.368 21.160 -6.156 1.00 61.42 H new ATOM 0 HH11 ARG A 114 4.515 20.230 -4.339 1.00 14.22 H new ATOM 0 HH12 ARG A 114 5.435 19.874 -2.874 1.00 14.22 H new ATOM 0 HH21 ARG A 114 8.576 20.363 -4.409 1.00 34.54 H new ATOM 0 HH22 ARG A 114 7.731 19.949 -2.914 1.00 34.54 H new ATOM 1671 N ALA A 115 0.534 20.113 -9.554 1.00 63.32 N ATOM 1672 CA ALA A 115 -0.573 20.319 -10.480 1.00 13.04 C ATOM 1673 C ALA A 115 -1.907 20.579 -9.754 1.00 52.25 C ATOM 1674 O ALA A 115 -2.876 20.950 -10.417 1.00 71.13 O ATOM 1675 CB ALA A 115 -0.694 19.109 -11.409 1.00 42.33 C ATOM 0 H ALA A 115 0.800 19.136 -9.434 1.00 63.32 H new ATOM 0 HA ALA A 115 -0.356 21.213 -11.065 1.00 13.04 H new ATOM 0 HB1 ALA A 115 -1.522 19.263 -12.101 1.00 42.33 H new ATOM 0 HB2 ALA A 115 0.232 18.988 -11.971 1.00 42.33 H new ATOM 0 HB3 ALA A 115 -0.878 18.213 -10.817 1.00 42.33 H new ATOM 1681 N ALA A 116 -1.987 20.374 -8.431 1.00 44.32 N ATOM 1682 CA ALA A 116 -3.229 20.402 -7.656 1.00 51.41 C ATOM 1683 C ALA A 116 -3.147 21.217 -6.358 1.00 52.31 C ATOM 1684 O ALA A 116 -4.169 21.455 -5.722 1.00 14.12 O ATOM 1685 CB ALA A 116 -3.654 18.966 -7.349 1.00 32.20 C ATOM 0 H ALA A 116 -1.166 20.179 -7.858 1.00 44.32 H new ATOM 0 HA ALA A 116 -3.971 20.911 -8.271 1.00 51.41 H new ATOM 0 HB1 ALA A 116 -4.579 18.976 -6.772 1.00 32.20 H new ATOM 0 HB2 ALA A 116 -3.815 18.427 -8.282 1.00 32.20 H new ATOM 0 HB3 ALA A 116 -2.872 18.470 -6.774 1.00 32.20 H new ATOM 1691 N LYS A 117 -1.964 21.711 -5.976 1.00 74.24 N ATOM 1692 CA LYS A 117 -1.738 22.545 -4.789 1.00 20.41 C ATOM 1693 C LYS A 117 -2.134 21.833 -3.492 1.00 33.34 C ATOM 1694 O LYS A 117 -2.558 22.479 -2.528 1.00 53.23 O ATOM 1695 CB LYS A 117 -2.427 23.916 -4.915 1.00 20.13 C ATOM 1696 CG LYS A 117 -1.960 24.783 -6.093 1.00 72.24 C ATOM 1697 CD LYS A 117 -2.574 24.498 -7.474 1.00 71.11 C ATOM 1698 CE LYS A 117 -4.106 24.528 -7.472 1.00 53.05 C ATOM 1699 NZ LYS A 117 -4.650 24.537 -8.844 1.00 23.52 N ATOM 0 H LYS A 117 -1.108 21.535 -6.502 1.00 74.24 H new ATOM 0 HA LYS A 117 -0.664 22.723 -4.735 1.00 20.41 H new ATOM 0 HB2 LYS A 117 -3.501 23.756 -5.007 1.00 20.13 H new ATOM 0 HB3 LYS A 117 -2.265 24.471 -3.991 1.00 20.13 H new ATOM 0 HG2 LYS A 117 -2.162 25.825 -5.844 1.00 72.24 H new ATOM 0 HG3 LYS A 117 -0.878 24.679 -6.178 1.00 72.24 H new ATOM 0 HD2 LYS A 117 -2.204 25.234 -8.188 1.00 71.11 H new ATOM 0 HD3 LYS A 117 -2.237 23.521 -7.820 1.00 71.11 H new ATOM 0 HE2 LYS A 117 -4.487 23.660 -6.934 1.00 53.05 H new ATOM 0 HE3 LYS A 117 -4.453 25.412 -6.936 1.00 53.05 H new ATOM 0 HZ1 LYS A 117 -5.689 24.557 -8.805 1.00 23.52 H new ATOM 0 HZ2 LYS A 117 -4.306 25.379 -9.348 1.00 23.52 H new ATOM 0 HZ3 LYS A 117 -4.339 23.681 -9.346 1.00 23.52 H new ATOM 1709 N ALA A 118 -2.002 20.510 -3.453 1.00 72.14 N ATOM 1710 CA ALA A 118 -2.332 19.730 -2.273 1.00 2.12 C ATOM 1711 C ALA A 118 -1.320 19.971 -1.142 1.00 23.01 C ATOM 1712 O ALA A 118 -0.394 20.779 -1.273 1.00 12.24 O ATOM 1713 CB ALA A 118 -2.440 18.252 -2.662 1.00 61.11 C ATOM 0 H ALA A 118 -1.664 19.954 -4.238 1.00 72.14 H new ATOM 0 HA ALA A 118 -3.298 20.051 -1.882 1.00 2.12 H new ATOM 0 HB1 ALA A 118 -2.688 17.661 -1.780 1.00 61.11 H new ATOM 0 HB2 ALA A 118 -3.221 18.129 -3.412 1.00 61.11 H new ATOM 0 HB3 ALA A 118 -1.488 17.913 -3.071 1.00 61.11 H new ATOM 1719 N SER A 119 -1.503 19.303 -0.007 1.00 0.42 N ATOM 1720 CA SER A 119 -0.584 19.359 1.126 1.00 61.35 C ATOM 1721 C SER A 119 0.785 18.749 0.776 1.00 53.11 C ATOM 1722 O SER A 119 1.005 18.194 -0.303 1.00 22.13 O ATOM 1723 CB SER A 119 -1.177 18.608 2.327 1.00 34.24 C ATOM 1724 OG SER A 119 -2.550 18.909 2.494 1.00 21.04 O ATOM 0 H SER A 119 -2.308 18.697 0.154 1.00 0.42 H new ATOM 0 HA SER A 119 -0.440 20.410 1.378 1.00 61.35 H new ATOM 0 HB2 SER A 119 -1.052 17.534 2.185 1.00 34.24 H new ATOM 0 HB3 SER A 119 -0.631 18.875 3.232 1.00 34.24 H new ATOM 0 HG SER A 119 -2.902 18.416 3.264 1.00 21.04 H new ATOM 1729 N ARG A 120 1.698 18.782 1.751 1.00 72.44 N ATOM 1730 CA ARG A 120 2.992 18.109 1.767 1.00 3.14 C ATOM 1731 C ARG A 120 3.296 17.889 3.245 1.00 11.43 C ATOM 1732 O ARG A 120 3.751 18.792 3.952 1.00 15.31 O ATOM 1733 CB ARG A 120 4.079 18.928 1.040 1.00 4.20 C ATOM 1734 CG ARG A 120 4.098 20.432 1.364 1.00 32.20 C ATOM 1735 CD ARG A 120 5.495 21.010 1.585 1.00 43.21 C ATOM 1736 NE ARG A 120 6.227 20.314 2.667 1.00 72.03 N ATOM 1737 CZ ARG A 120 6.516 20.748 3.903 1.00 73.15 C ATOM 1738 NH1 ARG A 120 6.168 21.956 4.337 1.00 32.31 N ATOM 1739 NH2 ARG A 120 7.184 19.940 4.716 1.00 31.31 N ATOM 0 H ARG A 120 1.538 19.316 2.605 1.00 72.44 H new ATOM 0 HA ARG A 120 2.973 17.164 1.224 1.00 3.14 H new ATOM 0 HB2 ARG A 120 5.054 18.508 1.288 1.00 4.20 H new ATOM 0 HB3 ARG A 120 3.944 18.807 -0.035 1.00 4.20 H new ATOM 0 HG2 ARG A 120 3.618 20.973 0.549 1.00 32.20 H new ATOM 0 HG3 ARG A 120 3.500 20.607 2.258 1.00 32.20 H new ATOM 0 HD2 ARG A 120 6.066 20.939 0.659 1.00 43.21 H new ATOM 0 HD3 ARG A 120 5.413 22.069 1.828 1.00 43.21 H new ATOM 0 HE ARG A 120 6.557 19.375 2.442 1.00 72.03 H new ATOM 0 HH11 ARG A 120 5.661 22.592 3.722 1.00 32.31 H new ATOM 0 HH12 ARG A 120 6.408 22.246 5.285 1.00 32.31 H new ATOM 0 HH21 ARG A 120 7.465 19.013 4.396 1.00 31.31 H new ATOM 0 HH22 ARG A 120 7.416 20.246 5.661 1.00 31.31 H new ATOM 1750 N GLU A 121 2.836 16.759 3.751 1.00 41.54 N ATOM 1751 CA GLU A 121 3.139 16.246 5.091 1.00 53.52 C ATOM 1752 C GLU A 121 4.625 15.731 5.080 1.00 54.35 C ATOM 1753 O GLU A 121 5.302 15.807 4.036 1.00 75.05 O ATOM 1754 CB GLU A 121 1.953 15.343 5.496 1.00 23.23 C ATOM 1755 CG GLU A 121 1.814 14.159 4.612 1.00 52.15 C ATOM 1756 CD GLU A 121 2.707 13.204 5.303 1.00 22.34 C ATOM 1757 OE1 GLU A 121 2.141 12.746 6.311 1.00 40.34 O ATOM 1758 OE2 GLU A 121 3.885 13.020 4.939 1.00 35.13 O ATOM 0 H GLU A 121 2.216 16.143 3.225 1.00 41.54 H new ATOM 0 HA GLU A 121 3.176 16.953 5.920 1.00 53.52 H new ATOM 0 HB2 GLU A 121 2.088 15.010 6.525 1.00 23.23 H new ATOM 0 HB3 GLU A 121 1.031 15.924 5.467 1.00 23.23 H new ATOM 0 HG2 GLU A 121 0.786 13.801 4.557 1.00 52.15 H new ATOM 0 HG3 GLU A 121 2.136 14.363 3.591 1.00 52.15 H new ATOM 1763 N PRO A 122 5.226 15.462 6.256 1.00 61.11 N ATOM 1764 CA PRO A 122 6.647 15.144 6.440 1.00 52.53 C ATOM 1765 C PRO A 122 7.020 13.703 6.049 1.00 61.35 C ATOM 1766 O PRO A 122 6.731 12.727 6.747 1.00 54.22 O ATOM 1767 CB PRO A 122 6.925 15.358 7.931 1.00 55.14 C ATOM 1768 CG PRO A 122 5.563 15.095 8.589 1.00 32.01 C ATOM 1769 CD PRO A 122 4.541 15.484 7.533 1.00 43.25 C ATOM 0 HA PRO A 122 7.245 15.781 5.788 1.00 52.53 H new ATOM 0 HB2 PRO A 122 7.688 14.673 8.300 1.00 55.14 H new ATOM 0 HB3 PRO A 122 7.280 16.369 8.132 1.00 55.14 H new ATOM 0 HG2 PRO A 122 5.457 14.049 8.875 1.00 32.01 H new ATOM 0 HG3 PRO A 122 5.440 15.688 9.496 1.00 32.01 H new ATOM 0 HD2 PRO A 122 3.702 14.788 7.533 1.00 43.25 H new ATOM 0 HD3 PRO A 122 4.134 16.475 7.736 1.00 43.25 H new ATOM 1774 N LEU A 123 7.832 13.616 4.993 1.00 0.12 N ATOM 1775 CA LEU A 123 8.260 12.366 4.329 1.00 33.43 C ATOM 1776 C LEU A 123 9.770 12.190 4.140 1.00 12.43 C ATOM 1777 O LEU A 123 10.221 11.167 3.628 1.00 64.34 O ATOM 1778 CB LEU A 123 7.473 12.089 3.029 1.00 53.11 C ATOM 1779 CG LEU A 123 7.842 12.894 1.763 1.00 3.32 C ATOM 1780 CD1 LEU A 123 8.101 14.359 2.113 1.00 40.54 C ATOM 1781 CD2 LEU A 123 9.051 12.365 0.986 1.00 0.30 C ATOM 0 H LEU A 123 8.230 14.445 4.553 1.00 0.12 H new ATOM 0 HA LEU A 123 7.998 11.594 5.052 1.00 33.43 H new ATOM 0 HB2 LEU A 123 7.583 11.030 2.793 1.00 53.11 H new ATOM 0 HB3 LEU A 123 6.417 12.262 3.237 1.00 53.11 H new ATOM 0 HG LEU A 123 6.975 12.783 1.112 1.00 3.32 H new ATOM 0 HD11 LEU A 123 8.359 14.909 1.208 1.00 40.54 H new ATOM 0 HD12 LEU A 123 7.204 14.791 2.557 1.00 40.54 H new ATOM 0 HD13 LEU A 123 8.925 14.423 2.824 1.00 40.54 H new ATOM 0 HD21 LEU A 123 9.229 12.997 0.116 1.00 0.30 H new ATOM 0 HD22 LEU A 123 9.931 12.377 1.629 1.00 0.30 H new ATOM 0 HD23 LEU A 123 8.855 11.344 0.659 1.00 0.30 H new ATOM 1792 N ILE A 124 10.536 13.205 4.529 1.00 55.44 N ATOM 1793 CA ILE A 124 11.970 13.278 4.320 1.00 23.11 C ATOM 1794 C ILE A 124 12.618 12.148 5.121 1.00 33.33 C ATOM 1795 O ILE A 124 12.234 11.869 6.264 1.00 12.24 O ATOM 1796 CB ILE A 124 12.530 14.653 4.755 1.00 21.33 C ATOM 1797 CG1 ILE A 124 11.695 15.860 4.257 1.00 54.35 C ATOM 1798 CG2 ILE A 124 13.972 14.824 4.261 1.00 21.42 C ATOM 1799 CD1 ILE A 124 10.637 16.353 5.257 1.00 62.11 C ATOM 0 H ILE A 124 10.161 14.021 5.012 1.00 55.44 H new ATOM 0 HA ILE A 124 12.196 13.167 3.260 1.00 23.11 H new ATOM 0 HB ILE A 124 12.484 14.651 5.844 1.00 21.33 H new ATOM 0 HG12 ILE A 124 12.371 16.683 4.025 1.00 54.35 H new ATOM 0 HG13 ILE A 124 11.198 15.584 3.327 1.00 54.35 H new ATOM 0 HG21 ILE A 124 14.351 15.796 4.575 1.00 21.42 H new ATOM 0 HG22 ILE A 124 14.597 14.037 4.683 1.00 21.42 H new ATOM 0 HG23 ILE A 124 13.994 14.760 3.173 1.00 21.42 H new ATOM 0 HD11 ILE A 124 10.099 17.199 4.830 1.00 62.11 H new ATOM 0 HD12 ILE A 124 9.935 15.547 5.471 1.00 62.11 H new ATOM 0 HD13 ILE A 124 11.126 16.663 6.180 1.00 62.11 H new ATOM 1810 N ASP A 125 13.618 11.523 4.518 1.00 23.02 N ATOM 1811 CA ASP A 125 14.450 10.504 5.127 1.00 14.20 C ATOM 1812 C ASP A 125 15.833 10.508 4.490 1.00 34.13 C ATOM 1813 O ASP A 125 15.991 10.924 3.342 1.00 32.21 O ATOM 1814 CB ASP A 125 13.782 9.142 4.950 1.00 63.14 C ATOM 1815 CG ASP A 125 14.484 8.101 5.814 1.00 21.03 C ATOM 1816 OD1 ASP A 125 14.316 8.143 7.058 1.00 35.01 O ATOM 1817 OD2 ASP A 125 15.217 7.247 5.280 1.00 32.21 O ATOM 0 H ASP A 125 13.880 11.722 3.553 1.00 23.02 H new ATOM 0 HA ASP A 125 14.565 10.712 6.191 1.00 14.20 H new ATOM 0 HB2 ASP A 125 12.729 9.205 5.226 1.00 63.14 H new ATOM 0 HB3 ASP A 125 13.820 8.843 3.903 1.00 63.14 H new ATOM 1821 N MET A 126 16.834 10.035 5.228 1.00 3.12 N ATOM 1822 CA MET A 126 18.226 10.044 4.806 1.00 1.24 C ATOM 1823 C MET A 126 18.725 8.678 4.315 1.00 72.45 C ATOM 1824 O MET A 126 19.906 8.591 3.970 1.00 71.03 O ATOM 1825 CB MET A 126 19.102 10.654 5.925 1.00 60.42 C ATOM 1826 CG MET A 126 19.574 12.067 5.559 1.00 61.05 C ATOM 1827 SD MET A 126 18.261 13.306 5.353 1.00 35.44 S ATOM 1828 CE MET A 126 17.952 13.753 7.082 1.00 44.51 C ATOM 0 H MET A 126 16.694 9.628 6.153 1.00 3.12 H new ATOM 0 HA MET A 126 18.309 10.681 3.925 1.00 1.24 H new ATOM 0 HB2 MET A 126 18.535 10.688 6.855 1.00 60.42 H new ATOM 0 HB3 MET A 126 19.967 10.014 6.102 1.00 60.42 H new ATOM 0 HG2 MET A 126 20.258 12.414 6.334 1.00 61.05 H new ATOM 0 HG3 MET A 126 20.145 12.011 4.632 1.00 61.05 H new ATOM 0 HE1 MET A 126 17.167 14.508 7.128 1.00 44.51 H new ATOM 0 HE2 MET A 126 17.637 12.869 7.636 1.00 44.51 H new ATOM 0 HE3 MET A 126 18.865 14.152 7.524 1.00 44.51 H new ATOM 1836 N ALA A 127 17.891 7.630 4.244 1.00 44.24 N ATOM 1837 CA ALA A 127 18.325 6.256 4.036 1.00 71.23 C ATOM 1838 C ALA A 127 17.525 5.521 2.955 1.00 1.13 C ATOM 1839 O ALA A 127 16.956 4.447 3.190 1.00 2.52 O ATOM 1840 CB ALA A 127 18.264 5.535 5.375 1.00 32.21 C ATOM 0 H ALA A 127 16.879 7.724 4.332 1.00 44.24 H new ATOM 0 HA ALA A 127 19.348 6.267 3.659 1.00 71.23 H new ATOM 0 HB1 ALA A 127 18.585 4.501 5.247 1.00 32.21 H new ATOM 0 HB2 ALA A 127 18.922 6.033 6.087 1.00 32.21 H new ATOM 0 HB3 ALA A 127 17.241 5.553 5.752 1.00 32.21 H new ATOM 1846 N VAL A 128 17.492 6.087 1.757 1.00 73.15 N ATOM 1847 CA VAL A 128 16.571 5.723 0.693 1.00 0.34 C ATOM 1848 C VAL A 128 17.376 5.152 -0.484 1.00 53.45 C ATOM 1849 O VAL A 128 18.441 5.667 -0.852 1.00 43.13 O ATOM 1850 CB VAL A 128 15.717 6.952 0.312 1.00 63.42 C ATOM 1851 CG1 VAL A 128 14.388 6.476 -0.281 1.00 12.30 C ATOM 1852 CG2 VAL A 128 15.390 7.908 1.475 1.00 3.44 C ATOM 0 H VAL A 128 18.129 6.838 1.491 1.00 73.15 H new ATOM 0 HA VAL A 128 15.876 4.948 1.016 1.00 0.34 H new ATOM 0 HB VAL A 128 16.326 7.513 -0.397 1.00 63.42 H new ATOM 0 HG11 VAL A 128 13.780 7.339 -0.552 1.00 12.30 H new ATOM 0 HG12 VAL A 128 14.581 5.875 -1.169 1.00 12.30 H new ATOM 0 HG13 VAL A 128 13.855 5.875 0.456 1.00 12.30 H new ATOM 0 HG21 VAL A 128 14.787 8.738 1.105 1.00 3.44 H new ATOM 0 HG22 VAL A 128 14.834 7.370 2.243 1.00 3.44 H new ATOM 0 HG23 VAL A 128 16.316 8.294 1.900 1.00 3.44 H new ATOM 1862 N LYS A 129 16.903 4.042 -1.054 1.00 74.41 N ATOM 1863 CA LYS A 129 17.680 3.182 -1.950 1.00 41.42 C ATOM 1864 C LYS A 129 17.055 3.145 -3.342 1.00 71.21 C ATOM 1865 O LYS A 129 16.034 2.494 -3.553 1.00 31.32 O ATOM 1866 CB LYS A 129 17.859 1.782 -1.339 1.00 54.01 C ATOM 1867 CG LYS A 129 18.641 1.827 -0.013 1.00 35.33 C ATOM 1868 CD LYS A 129 19.308 0.504 0.398 1.00 32.52 C ATOM 1869 CE LYS A 129 18.337 -0.641 0.715 1.00 43.43 C ATOM 1870 NZ LYS A 129 17.849 -1.345 -0.490 1.00 72.33 N ATOM 0 H LYS A 129 15.951 3.709 -0.903 1.00 74.41 H new ATOM 0 HA LYS A 129 18.678 3.603 -2.067 1.00 41.42 H new ATOM 0 HB2 LYS A 129 16.880 1.333 -1.168 1.00 54.01 H new ATOM 0 HB3 LYS A 129 18.384 1.141 -2.048 1.00 54.01 H new ATOM 0 HG2 LYS A 129 19.411 2.595 -0.089 1.00 35.33 H new ATOM 0 HG3 LYS A 129 17.961 2.135 0.781 1.00 35.33 H new ATOM 0 HD2 LYS A 129 19.973 0.185 -0.405 1.00 32.52 H new ATOM 0 HD3 LYS A 129 19.931 0.685 1.274 1.00 32.52 H new ATOM 0 HE2 LYS A 129 18.833 -1.357 1.370 1.00 43.43 H new ATOM 0 HE3 LYS A 129 17.484 -0.243 1.265 1.00 43.43 H new ATOM 0 HZ1 LYS A 129 17.323 -2.196 -0.206 1.00 72.33 H new ATOM 0 HZ2 LYS A 129 17.222 -0.715 -1.030 1.00 72.33 H new ATOM 0 HZ3 LYS A 129 18.658 -1.620 -1.083 1.00 72.33 H new ATOM 1880 N TYR A 130 17.677 3.868 -4.272 1.00 3.02 N ATOM 1881 CA TYR A 130 17.311 3.979 -5.679 1.00 44.44 C ATOM 1882 C TYR A 130 17.629 2.670 -6.404 1.00 21.11 C ATOM 1883 O TYR A 130 18.812 2.354 -6.599 1.00 61.35 O ATOM 1884 CB TYR A 130 18.104 5.136 -6.303 1.00 62.11 C ATOM 1885 CG TYR A 130 17.784 6.503 -5.731 1.00 4.01 C ATOM 1886 CD1 TYR A 130 18.421 6.947 -4.559 1.00 24.10 C ATOM 1887 CD2 TYR A 130 16.849 7.337 -6.367 1.00 72.54 C ATOM 1888 CE1 TYR A 130 18.132 8.215 -4.033 1.00 53.12 C ATOM 1889 CE2 TYR A 130 16.584 8.626 -5.870 1.00 0.02 C ATOM 1890 CZ TYR A 130 17.229 9.076 -4.698 1.00 52.04 C ATOM 1891 OH TYR A 130 17.005 10.316 -4.194 1.00 55.02 O ATOM 0 H TYR A 130 18.501 4.426 -4.047 1.00 3.02 H new ATOM 0 HA TYR A 130 16.243 4.174 -5.772 1.00 44.44 H new ATOM 0 HB2 TYR A 130 19.168 4.942 -6.171 1.00 62.11 H new ATOM 0 HB3 TYR A 130 17.913 5.152 -7.376 1.00 62.11 H new ATOM 0 HD1 TYR A 130 19.136 6.309 -4.061 1.00 24.10 H new ATOM 0 HD2 TYR A 130 16.329 6.985 -7.246 1.00 72.54 H new ATOM 0 HE1 TYR A 130 18.602 8.535 -3.115 1.00 53.12 H new ATOM 0 HE2 TYR A 130 15.887 9.271 -6.385 1.00 0.02 H new ATOM 0 HH TYR A 130 16.361 10.789 -4.762 1.00 55.02 H new ATOM 1900 N HIS A 131 16.621 1.886 -6.781 1.00 21.21 N ATOM 1901 CA HIS A 131 16.775 0.686 -7.600 1.00 61.10 C ATOM 1902 C HIS A 131 15.436 0.273 -8.209 1.00 14.24 C ATOM 1903 O HIS A 131 14.375 0.746 -7.785 1.00 21.22 O ATOM 1904 CB HIS A 131 17.396 -0.462 -6.775 1.00 43.44 C ATOM 1905 CG HIS A 131 16.842 -0.646 -5.383 1.00 35.55 C ATOM 1906 ND1 HIS A 131 15.554 -0.999 -5.050 1.00 42.13 N ATOM 1907 CD2 HIS A 131 17.543 -0.496 -4.216 1.00 13.43 C ATOM 1908 CE1 HIS A 131 15.493 -1.062 -3.712 1.00 63.34 C ATOM 1909 NE2 HIS A 131 16.678 -0.761 -3.148 1.00 33.14 N ATOM 0 H HIS A 131 15.653 2.072 -6.520 1.00 21.21 H new ATOM 0 HA HIS A 131 17.457 0.912 -8.419 1.00 61.10 H new ATOM 0 HB2 HIS A 131 17.261 -1.393 -7.325 1.00 43.44 H new ATOM 0 HB3 HIS A 131 18.470 -0.289 -6.698 1.00 43.44 H new ATOM 0 HD1 HIS A 131 14.789 -1.179 -5.700 1.00 42.13 H new ATOM 0 HD2 HIS A 131 18.584 -0.221 -4.134 1.00 13.43 H new ATOM 0 HE1 HIS A 131 14.604 -1.322 -3.156 1.00 63.34 H new ATOM 1916 N THR A 132 15.493 -0.656 -9.155 1.00 73.24 N ATOM 1917 CA THR A 132 14.404 -1.395 -9.775 1.00 62.24 C ATOM 1918 C THR A 132 14.919 -2.823 -9.996 1.00 41.14 C ATOM 1919 O THR A 132 14.108 -3.736 -10.282 1.00 62.33 O ATOM 1920 CB THR A 132 13.935 -0.696 -11.062 1.00 63.40 C ATOM 1921 OG1 THR A 132 15.029 -0.330 -11.888 1.00 14.42 O ATOM 1922 CG2 THR A 132 13.099 0.561 -10.790 1.00 2.13 C ATOM 0 H THR A 132 16.393 -0.937 -9.544 1.00 73.24 H new ATOM 0 HA THR A 132 13.517 -1.431 -9.143 1.00 62.24 H new ATOM 0 HB THR A 132 13.310 -1.430 -11.571 1.00 63.40 H new ATOM 0 HG1 THR A 132 14.695 0.110 -12.697 1.00 14.42 H new ATOM 0 HG21 THR A 132 12.798 1.010 -11.737 1.00 2.13 H new ATOM 0 HG22 THR A 132 12.211 0.291 -10.218 1.00 2.13 H new ATOM 0 HG23 THR A 132 13.693 1.277 -10.222 1.00 2.13 H new TER 1930 THR A 132