USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 551 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 33 LYS NZ :NH3+ 171:sc= -1.06 (180deg=-1.3) USER MOD Set 1.2: A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 165:sc=-0.00406 (180deg=-0.305) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.034 (180deg=-0.319) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 4 HIS : no HD1:sc= -0.273 X(o=-0.27,f=-0.021) USER MOD Single : A 5 HIS : no HD1:sc= -0.061 X(o=-0.061,f=-0.0092) USER MOD Single : A 6 HIS : no HD1:sc= -0.469 K(o=-0.47,f=-2.3) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -2.38 K(o=-2.4,f=-0.074) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 21 LYS NZ :NH3+ -159:sc=-0.00812 (180deg=-0.31) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0.022) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0161 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 130:sc= 1.26 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -1.98 K(o=-2,f=-0.17) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 146:sc= 0.0106 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -8.28! C(o=-8.3!,f=-7.8!) USER MOD Single : A 43 THR OG1 : rot -91:sc= 1.54 USER MOD Single : A 46 THR OG1 : rot -175:sc= -1.69 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.67! K(o=-2.7!,f=-0.16) USER MOD Single : A 65 GLN : amide:sc= -0.674 K(o=-0.67,f=-1.9) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.0575) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.313 -6.979 -22.220 1.00 14.11 N ATOM 2 CA MET A 1 6.336 -6.001 -22.571 1.00 54.13 C ATOM 3 C MET A 1 5.790 -4.581 -22.463 1.00 53.44 C ATOM 4 O MET A 1 6.524 -3.646 -22.141 1.00 15.33 O ATOM 5 CB MET A 1 6.849 -6.256 -23.990 1.00 5.24 C ATOM 6 CG MET A 1 7.763 -7.466 -24.097 1.00 20.05 C ATOM 7 SD MET A 1 7.827 -8.143 -25.767 1.00 12.34 S ATOM 8 CE MET A 1 8.111 -6.656 -26.724 1.00 5.22 C ATOM 0 H1 MET A 1 5.757 -7.907 -22.069 1.00 14.11 H new ATOM 0 H2 MET A 1 4.831 -6.680 -21.348 1.00 14.11 H new ATOM 0 H3 MET A 1 4.620 -7.049 -22.992 1.00 14.11 H new ATOM 0 HA MET A 1 7.162 -6.108 -21.868 1.00 54.13 H new ATOM 0 HB2 MET A 1 5.997 -6.394 -24.656 1.00 5.24 H new ATOM 0 HB3 MET A 1 7.386 -5.373 -24.338 1.00 5.24 H new ATOM 0 HG2 MET A 1 8.769 -7.185 -23.784 1.00 20.05 H new ATOM 0 HG3 MET A 1 7.419 -8.238 -23.409 1.00 20.05 H new ATOM 0 HE1 MET A 1 8.437 -6.926 -27.728 1.00 5.22 H new ATOM 0 HE2 MET A 1 7.187 -6.080 -26.785 1.00 5.22 H new ATOM 0 HE3 MET A 1 8.882 -6.055 -26.242 1.00 5.22 H new ATOM 18 N HIS A 2 4.498 -4.425 -22.736 1.00 31.43 N ATOM 19 CA HIS A 2 3.854 -3.118 -22.669 1.00 21.33 C ATOM 20 C HIS A 2 3.364 -2.826 -21.254 1.00 33.12 C ATOM 21 O HIS A 2 2.898 -3.723 -20.550 1.00 12.43 O ATOM 22 CB HIS A 2 2.684 -3.052 -23.650 1.00 52.24 C ATOM 23 CG HIS A 2 3.060 -3.407 -25.056 1.00 21.11 C ATOM 24 ND1 HIS A 2 4.080 -2.783 -25.743 1.00 13.42 N ATOM 25 CD2 HIS A 2 2.548 -4.330 -25.903 1.00 52.02 C ATOM 26 CE1 HIS A 2 4.177 -3.305 -26.952 1.00 41.34 C ATOM 27 NE2 HIS A 2 3.259 -4.246 -27.075 1.00 31.31 N ATOM 0 H HIS A 2 3.877 -5.188 -23.006 1.00 31.43 H new ATOM 0 HA HIS A 2 4.591 -2.363 -22.943 1.00 21.33 H new ATOM 0 HB2 HIS A 2 1.898 -3.727 -23.311 1.00 52.24 H new ATOM 0 HB3 HIS A 2 2.266 -2.045 -23.638 1.00 52.24 H new ATOM 0 HD2 HIS A 2 1.732 -5.007 -25.696 1.00 52.02 H new ATOM 0 HE1 HIS A 2 4.887 -3.012 -27.711 1.00 41.34 H new ATOM 0 HE2 HIS A 2 3.103 -4.818 -27.905 1.00 31.31 H new ATOM 35 N HIS A 3 3.473 -1.567 -20.843 1.00 54.51 N ATOM 36 CA HIS A 3 3.040 -1.156 -19.512 1.00 24.42 C ATOM 37 C HIS A 3 3.134 0.358 -19.353 1.00 3.14 C ATOM 38 O HIS A 3 3.829 1.031 -20.115 1.00 72.13 O ATOM 39 CB HIS A 3 3.887 -1.847 -18.442 1.00 43.23 C ATOM 40 CG HIS A 3 5.307 -1.370 -18.403 1.00 33.54 C ATOM 41 ND1 HIS A 3 6.217 -1.634 -19.404 1.00 25.43 N ATOM 42 CD2 HIS A 3 5.970 -0.641 -17.475 1.00 62.30 C ATOM 43 CE1 HIS A 3 7.380 -1.090 -19.093 1.00 2.21 C ATOM 44 NE2 HIS A 3 7.257 -0.481 -17.927 1.00 52.23 N ATOM 0 H HIS A 3 3.858 -0.813 -21.413 1.00 54.51 H new ATOM 0 HA HIS A 3 1.998 -1.452 -19.388 1.00 24.42 H new ATOM 0 HB2 HIS A 3 3.430 -1.683 -17.466 1.00 43.23 H new ATOM 0 HB3 HIS A 3 3.878 -2.922 -18.621 1.00 43.23 H new ATOM 0 HD2 HIS A 3 5.563 -0.257 -16.551 1.00 62.30 H new ATOM 0 HE1 HIS A 3 8.279 -1.135 -19.690 1.00 2.21 H new ATOM 0 HE2 HIS A 3 7.997 0.026 -17.442 1.00 52.23 H new ATOM 52 N HIS A 4 2.431 0.889 -18.358 1.00 35.45 N ATOM 53 CA HIS A 4 2.435 2.324 -18.099 1.00 14.03 C ATOM 54 C HIS A 4 2.926 2.620 -16.685 1.00 21.31 C ATOM 55 O HIS A 4 2.814 1.782 -15.790 1.00 32.44 O ATOM 56 CB HIS A 4 1.033 2.903 -18.295 1.00 43.15 C ATOM 57 CG HIS A 4 -0.044 2.103 -17.631 1.00 33.12 C ATOM 58 ND1 HIS A 4 -0.640 2.481 -16.446 1.00 73.02 N ATOM 59 CD2 HIS A 4 -0.634 0.940 -17.992 1.00 70.45 C ATOM 60 CE1 HIS A 4 -1.549 1.584 -16.107 1.00 61.11 C ATOM 61 NE2 HIS A 4 -1.565 0.638 -17.029 1.00 52.32 N ATOM 0 H HIS A 4 1.851 0.347 -17.718 1.00 35.45 H new ATOM 0 HA HIS A 4 3.117 2.794 -18.808 1.00 14.03 H new ATOM 0 HB2 HIS A 4 1.011 3.920 -17.905 1.00 43.15 H new ATOM 0 HB3 HIS A 4 0.821 2.967 -19.362 1.00 43.15 H new ATOM 0 HD2 HIS A 4 -0.413 0.357 -18.874 1.00 70.45 H new ATOM 0 HE1 HIS A 4 -2.173 1.618 -15.226 1.00 61.11 H new ATOM 0 HE2 HIS A 4 -2.170 -0.183 -17.026 1.00 52.32 H new ATOM 69 N HIS A 5 3.472 3.816 -16.491 1.00 52.23 N ATOM 70 CA HIS A 5 3.981 4.222 -15.186 1.00 51.31 C ATOM 71 C HIS A 5 2.886 4.889 -14.359 1.00 53.33 C ATOM 72 O HIS A 5 2.375 4.307 -13.402 1.00 0.33 O ATOM 73 CB HIS A 5 5.164 5.176 -15.351 1.00 2.40 C ATOM 74 CG HIS A 5 6.490 4.482 -15.403 1.00 44.42 C ATOM 75 ND1 HIS A 5 7.398 4.669 -16.424 1.00 52.25 N ATOM 76 CD2 HIS A 5 7.061 3.599 -14.551 1.00 65.04 C ATOM 77 CE1 HIS A 5 8.469 3.929 -16.200 1.00 11.44 C ATOM 78 NE2 HIS A 5 8.290 3.271 -15.069 1.00 23.52 N ATOM 0 H HIS A 5 3.573 4.521 -17.221 1.00 52.23 H new ATOM 0 HA HIS A 5 4.315 3.328 -14.660 1.00 51.31 H new ATOM 0 HB2 HIS A 5 5.029 5.754 -16.265 1.00 2.40 H new ATOM 0 HB3 HIS A 5 5.167 5.885 -14.523 1.00 2.40 H new ATOM 0 HD2 HIS A 5 6.631 3.223 -13.635 1.00 65.04 H new ATOM 0 HE1 HIS A 5 9.342 3.872 -16.833 1.00 11.44 H new ATOM 0 HE2 HIS A 5 8.957 2.624 -14.648 1.00 23.52 H new ATOM 86 N HIS A 6 2.530 6.114 -14.735 1.00 71.31 N ATOM 87 CA HIS A 6 1.495 6.860 -14.028 1.00 3.01 C ATOM 88 C HIS A 6 1.193 8.176 -14.738 1.00 43.13 C ATOM 89 O HIS A 6 1.806 8.498 -15.757 1.00 14.41 O ATOM 90 CB HIS A 6 1.928 7.132 -12.587 1.00 11.40 C ATOM 91 CG HIS A 6 3.342 7.610 -12.466 1.00 65.43 C ATOM 92 ND1 HIS A 6 3.974 8.347 -13.446 1.00 21.14 N ATOM 93 CD2 HIS A 6 4.248 7.452 -11.473 1.00 2.42 C ATOM 94 CE1 HIS A 6 5.208 8.621 -13.060 1.00 73.04 C ATOM 95 NE2 HIS A 6 5.399 8.090 -11.866 1.00 61.23 N ATOM 0 H HIS A 6 2.943 6.610 -15.525 1.00 71.31 H new ATOM 0 HA HIS A 6 0.588 6.256 -14.019 1.00 3.01 H new ATOM 0 HB2 HIS A 6 1.263 7.877 -12.151 1.00 11.40 H new ATOM 0 HB3 HIS A 6 1.811 6.219 -12.003 1.00 11.40 H new ATOM 0 HD2 HIS A 6 4.094 6.923 -10.544 1.00 2.42 H new ATOM 0 HE1 HIS A 6 5.936 9.184 -13.625 1.00 73.04 H new ATOM 0 HE2 HIS A 6 6.261 8.145 -11.324 1.00 61.23 H new ATOM 103 N HIS A 7 0.245 8.932 -14.195 1.00 11.54 N ATOM 104 CA HIS A 7 -0.138 10.214 -14.777 1.00 35.23 C ATOM 105 C HIS A 7 0.451 11.372 -13.977 1.00 34.11 C ATOM 106 O HIS A 7 0.379 12.527 -14.395 1.00 74.35 O ATOM 107 CB HIS A 7 -1.661 10.338 -14.830 1.00 54.22 C ATOM 108 CG HIS A 7 -2.287 9.560 -15.946 1.00 71.05 C ATOM 109 ND1 HIS A 7 -2.914 8.346 -15.759 1.00 14.54 N ATOM 110 CD2 HIS A 7 -2.381 9.830 -17.270 1.00 32.44 C ATOM 111 CE1 HIS A 7 -3.366 7.902 -16.918 1.00 43.51 C ATOM 112 NE2 HIS A 7 -3.056 8.784 -17.851 1.00 45.32 N ATOM 0 H HIS A 7 -0.272 8.680 -13.353 1.00 11.54 H new ATOM 0 HA HIS A 7 0.259 10.258 -15.791 1.00 35.23 H new ATOM 0 HB2 HIS A 7 -2.078 9.998 -13.882 1.00 54.22 H new ATOM 0 HB3 HIS A 7 -1.928 11.389 -14.937 1.00 54.22 H new ATOM 0 HD2 HIS A 7 -1.997 10.704 -17.775 1.00 32.44 H new ATOM 0 HE1 HIS A 7 -3.898 6.976 -17.076 1.00 43.51 H new ATOM 0 HE2 HIS A 7 -3.281 8.702 -18.842 1.00 45.32 H new ATOM 120 N GLU A 8 1.032 11.054 -12.824 1.00 71.24 N ATOM 121 CA GLU A 8 1.631 12.069 -11.966 1.00 64.12 C ATOM 122 C GLU A 8 0.572 13.038 -11.448 1.00 64.21 C ATOM 123 O GLU A 8 0.680 14.250 -11.634 1.00 74.03 O ATOM 124 CB GLU A 8 2.713 12.838 -12.727 1.00 62.14 C ATOM 125 CG GLU A 8 3.685 11.941 -13.476 1.00 55.14 C ATOM 126 CD GLU A 8 5.131 12.217 -13.114 1.00 70.13 C ATOM 127 OE1 GLU A 8 5.422 12.374 -11.910 1.00 62.23 O ATOM 128 OE2 GLU A 8 5.972 12.275 -14.036 1.00 52.40 O ATOM 0 H GLU A 8 1.100 10.102 -12.463 1.00 71.24 H new ATOM 0 HA GLU A 8 2.085 11.565 -11.113 1.00 64.12 H new ATOM 0 HB2 GLU A 8 2.236 13.514 -13.436 1.00 62.14 H new ATOM 0 HB3 GLU A 8 3.271 13.456 -12.023 1.00 62.14 H new ATOM 0 HG2 GLU A 8 3.453 10.898 -13.259 1.00 55.14 H new ATOM 0 HG3 GLU A 8 3.550 12.081 -14.549 1.00 55.14 H new ATOM 135 N VAL A 9 -0.451 12.494 -10.797 1.00 20.11 N ATOM 136 CA VAL A 9 -1.530 13.309 -10.251 1.00 23.20 C ATOM 137 C VAL A 9 -1.864 12.892 -8.823 1.00 54.51 C ATOM 138 O VAL A 9 -1.933 11.708 -8.495 1.00 64.33 O ATOM 139 CB VAL A 9 -2.801 13.209 -11.115 1.00 31.43 C ATOM 140 CG1 VAL A 9 -3.382 14.591 -11.373 1.00 23.51 C ATOM 141 CG2 VAL A 9 -2.500 12.494 -12.424 1.00 14.43 C ATOM 0 H VAL A 9 -0.555 11.492 -10.635 1.00 20.11 H new ATOM 0 HA VAL A 9 -1.180 14.341 -10.252 1.00 23.20 H new ATOM 0 HB VAL A 9 -3.544 12.625 -10.572 1.00 31.43 H new ATOM 0 HG11 VAL A 9 -4.279 14.500 -11.985 1.00 23.51 H new ATOM 0 HG12 VAL A 9 -3.637 15.062 -10.423 1.00 23.51 H new ATOM 0 HG13 VAL A 9 -2.647 15.203 -11.896 1.00 23.51 H new ATOM 0 HG21 VAL A 9 -3.409 12.432 -13.022 1.00 14.43 H new ATOM 0 HG22 VAL A 9 -1.740 13.048 -12.975 1.00 14.43 H new ATOM 0 HG23 VAL A 9 -2.135 11.489 -12.214 1.00 14.43 H new ATOM 151 N PRO A 10 -2.079 13.889 -7.951 1.00 71.22 N ATOM 152 CA PRO A 10 -2.412 13.651 -6.543 1.00 64.15 C ATOM 153 C PRO A 10 -3.809 13.066 -6.369 1.00 22.42 C ATOM 154 O PRO A 10 -4.245 12.803 -5.249 1.00 30.45 O ATOM 155 CB PRO A 10 -2.335 15.047 -5.920 1.00 61.11 C ATOM 156 CG PRO A 10 -2.595 15.981 -7.051 1.00 5.52 C ATOM 157 CD PRO A 10 -2.014 15.324 -8.273 1.00 14.43 C ATOM 0 HA PRO A 10 -1.741 12.926 -6.082 1.00 64.15 H new ATOM 0 HB2 PRO A 10 -3.074 15.169 -5.128 1.00 61.11 H new ATOM 0 HB3 PRO A 10 -1.357 15.228 -5.474 1.00 61.11 H new ATOM 0 HG2 PRO A 10 -3.664 16.157 -7.174 1.00 5.52 H new ATOM 0 HG3 PRO A 10 -2.130 16.951 -6.871 1.00 5.52 H new ATOM 0 HD2 PRO A 10 -2.588 15.561 -9.169 1.00 14.43 H new ATOM 0 HD3 PRO A 10 -0.990 15.649 -8.456 1.00 14.43 H new ATOM 165 N GLN A 11 -4.505 12.864 -7.483 1.00 65.01 N ATOM 166 CA GLN A 11 -5.853 12.310 -7.452 1.00 22.44 C ATOM 167 C GLN A 11 -6.058 11.312 -8.587 1.00 40.30 C ATOM 168 O GLN A 11 -7.136 11.240 -9.178 1.00 12.22 O ATOM 169 CB GLN A 11 -6.890 13.430 -7.547 1.00 60.12 C ATOM 170 CG GLN A 11 -7.192 14.095 -6.214 1.00 21.21 C ATOM 171 CD GLN A 11 -6.635 15.502 -6.124 1.00 72.02 C ATOM 172 OE1 GLN A 11 -7.279 16.464 -6.544 1.00 5.44 O ATOM 173 NE2 GLN A 11 -5.433 15.629 -5.575 1.00 41.30 N ATOM 0 H GLN A 11 -4.157 13.076 -8.418 1.00 65.01 H new ATOM 0 HA GLN A 11 -5.981 11.786 -6.505 1.00 22.44 H new ATOM 0 HB2 GLN A 11 -6.534 14.185 -8.248 1.00 60.12 H new ATOM 0 HB3 GLN A 11 -7.814 13.024 -7.959 1.00 60.12 H new ATOM 0 HG2 GLN A 11 -8.271 14.125 -6.064 1.00 21.21 H new ATOM 0 HG3 GLN A 11 -6.775 13.491 -5.408 1.00 21.21 H new ATOM 0 HE21 GLN A 11 -4.935 14.804 -5.240 1.00 41.30 H new ATOM 0 HE22 GLN A 11 -5.007 16.552 -5.488 1.00 41.30 H new ATOM 182 N THR A 12 -5.016 10.544 -8.889 1.00 20.33 N ATOM 183 CA THR A 12 -5.081 9.552 -9.954 1.00 71.43 C ATOM 184 C THR A 12 -5.025 10.214 -11.326 1.00 72.32 C ATOM 185 O THR A 12 -4.136 9.929 -12.128 1.00 64.03 O ATOM 186 CB THR A 12 -6.365 8.706 -9.857 1.00 10.01 C ATOM 187 OG1 THR A 12 -6.684 8.457 -8.483 1.00 74.35 O ATOM 188 CG2 THR A 12 -6.200 7.385 -10.592 1.00 62.34 C ATOM 0 H THR A 12 -4.116 10.590 -8.410 1.00 20.33 H new ATOM 0 HA THR A 12 -4.216 8.901 -9.832 1.00 71.43 H new ATOM 0 HB THR A 12 -7.177 9.263 -10.323 1.00 10.01 H new ATOM 0 HG1 THR A 12 -7.502 7.920 -8.429 1.00 74.35 H new ATOM 0 HG21 THR A 12 -7.119 6.805 -10.509 1.00 62.34 H new ATOM 0 HG22 THR A 12 -5.986 7.578 -11.643 1.00 62.34 H new ATOM 0 HG23 THR A 12 -5.376 6.824 -10.151 1.00 62.34 H new ATOM 196 N PHE A 13 -5.980 11.099 -11.590 1.00 53.31 N ATOM 197 CA PHE A 13 -6.040 11.802 -12.866 1.00 44.33 C ATOM 198 C PHE A 13 -6.286 13.293 -12.655 1.00 14.21 C ATOM 199 O PHE A 13 -6.775 13.709 -11.605 1.00 21.32 O ATOM 200 CB PHE A 13 -7.142 11.211 -13.748 1.00 10.35 C ATOM 201 CG PHE A 13 -8.478 11.134 -13.065 1.00 61.33 C ATOM 202 CD1 PHE A 13 -9.198 12.285 -12.790 1.00 61.01 C ATOM 203 CD2 PHE A 13 -9.013 9.909 -12.699 1.00 12.44 C ATOM 204 CE1 PHE A 13 -10.428 12.217 -12.163 1.00 3.23 C ATOM 205 CE2 PHE A 13 -10.243 9.835 -12.071 1.00 45.44 C ATOM 206 CZ PHE A 13 -10.950 10.991 -11.802 1.00 71.40 C ATOM 0 H PHE A 13 -6.723 11.347 -10.937 1.00 53.31 H new ATOM 0 HA PHE A 13 -5.079 11.678 -13.366 1.00 44.33 H new ATOM 0 HB2 PHE A 13 -7.238 11.815 -14.650 1.00 10.35 H new ATOM 0 HB3 PHE A 13 -6.846 10.211 -14.064 1.00 10.35 H new ATOM 0 HD1 PHE A 13 -8.794 13.247 -13.069 1.00 61.01 H new ATOM 0 HD2 PHE A 13 -8.464 9.003 -12.906 1.00 12.44 H new ATOM 0 HE1 PHE A 13 -10.980 13.122 -11.956 1.00 3.23 H new ATOM 0 HE2 PHE A 13 -10.650 8.875 -11.791 1.00 45.44 H new ATOM 0 HZ PHE A 13 -11.910 10.936 -11.310 1.00 71.40 H new ATOM 216 N GLU A 14 -5.944 14.092 -13.661 1.00 10.12 N ATOM 217 CA GLU A 14 -6.127 15.537 -13.584 1.00 71.35 C ATOM 218 C GLU A 14 -7.305 15.982 -14.446 1.00 14.13 C ATOM 219 O GLU A 14 -7.663 15.319 -15.420 1.00 4.33 O ATOM 220 CB GLU A 14 -4.854 16.259 -14.030 1.00 62.32 C ATOM 221 CG GLU A 14 -4.358 17.290 -13.031 1.00 44.41 C ATOM 222 CD GLU A 14 -4.859 18.688 -13.338 1.00 14.11 C ATOM 223 OE1 GLU A 14 -5.974 19.031 -12.890 1.00 64.43 O ATOM 224 OE2 GLU A 14 -4.137 19.439 -14.026 1.00 2.42 O ATOM 0 H GLU A 14 -5.539 13.764 -14.538 1.00 10.12 H new ATOM 0 HA GLU A 14 -6.339 15.796 -12.547 1.00 71.35 H new ATOM 0 HB2 GLU A 14 -4.069 15.522 -14.199 1.00 62.32 H new ATOM 0 HB3 GLU A 14 -5.041 16.751 -14.985 1.00 62.32 H new ATOM 0 HG2 GLU A 14 -4.680 17.004 -12.030 1.00 44.41 H new ATOM 0 HG3 GLU A 14 -3.268 17.291 -13.027 1.00 44.41 H new ATOM 231 N VAL A 15 -7.906 17.110 -14.079 1.00 31.22 N ATOM 232 CA VAL A 15 -9.044 17.645 -14.817 1.00 2.10 C ATOM 233 C VAL A 15 -8.653 18.894 -15.599 1.00 62.35 C ATOM 234 O VAL A 15 -7.759 19.637 -15.195 1.00 35.22 O ATOM 235 CB VAL A 15 -10.213 17.988 -13.875 1.00 0.22 C ATOM 236 CG1 VAL A 15 -11.464 18.318 -14.674 1.00 73.34 C ATOM 237 CG2 VAL A 15 -10.473 16.841 -12.910 1.00 53.30 C ATOM 0 H VAL A 15 -7.623 17.671 -13.275 1.00 31.22 H new ATOM 0 HA VAL A 15 -9.363 16.869 -15.512 1.00 2.10 H new ATOM 0 HB VAL A 15 -9.941 18.868 -13.292 1.00 0.22 H new ATOM 0 HG11 VAL A 15 -12.279 18.558 -13.991 1.00 73.34 H new ATOM 0 HG12 VAL A 15 -11.268 19.174 -15.320 1.00 73.34 H new ATOM 0 HG13 VAL A 15 -11.743 17.459 -15.285 1.00 73.34 H new ATOM 0 HG21 VAL A 15 -11.302 17.100 -12.252 1.00 53.30 H new ATOM 0 HG22 VAL A 15 -10.724 15.942 -13.473 1.00 53.30 H new ATOM 0 HG23 VAL A 15 -9.579 16.658 -12.313 1.00 53.30 H new ATOM 247 N GLU A 16 -9.329 19.118 -16.722 1.00 62.11 N ATOM 248 CA GLU A 16 -9.051 20.277 -17.562 1.00 11.34 C ATOM 249 C GLU A 16 -9.403 21.572 -16.835 1.00 3.23 C ATOM 250 O GLU A 16 -8.520 22.338 -16.447 1.00 53.22 O ATOM 251 CB GLU A 16 -9.836 20.186 -18.872 1.00 31.22 C ATOM 252 CG GLU A 16 -8.954 20.146 -20.108 1.00 61.43 C ATOM 253 CD GLU A 16 -8.569 21.529 -20.596 1.00 12.03 C ATOM 254 OE1 GLU A 16 -8.330 22.413 -19.747 1.00 33.34 O ATOM 255 OE2 GLU A 16 -8.507 21.727 -21.827 1.00 41.33 O ATOM 0 H GLU A 16 -10.072 18.513 -17.071 1.00 62.11 H new ATOM 0 HA GLU A 16 -7.984 20.284 -17.786 1.00 11.34 H new ATOM 0 HB2 GLU A 16 -10.459 19.292 -18.851 1.00 31.22 H new ATOM 0 HB3 GLU A 16 -10.508 21.041 -18.943 1.00 31.22 H new ATOM 0 HG2 GLU A 16 -8.050 19.579 -19.886 1.00 61.43 H new ATOM 0 HG3 GLU A 16 -9.476 19.616 -20.905 1.00 61.43 H new ATOM 262 N ARG A 17 -10.698 21.809 -16.654 1.00 42.51 N ATOM 263 CA ARG A 17 -11.167 23.012 -15.976 1.00 21.32 C ATOM 264 C ARG A 17 -12.679 22.967 -15.773 1.00 63.14 C ATOM 265 O ARG A 17 -13.373 22.159 -16.390 1.00 35.52 O ATOM 266 CB ARG A 17 -10.786 24.257 -16.778 1.00 42.31 C ATOM 267 CG ARG A 17 -11.833 24.667 -17.801 1.00 1.13 C ATOM 268 CD ARG A 17 -12.108 23.550 -18.795 1.00 22.31 C ATOM 269 NE ARG A 17 -12.299 24.058 -20.151 1.00 14.15 N ATOM 270 CZ ARG A 17 -11.308 24.498 -20.918 1.00 20.34 C ATOM 271 NH1 ARG A 17 -10.062 24.491 -20.465 1.00 22.43 N ATOM 272 NH2 ARG A 17 -11.562 24.945 -22.141 1.00 10.14 N ATOM 0 H ARG A 17 -11.441 21.184 -16.967 1.00 42.51 H new ATOM 0 HA ARG A 17 -10.688 23.058 -14.998 1.00 21.32 H new ATOM 0 HB2 ARG A 17 -10.619 25.085 -16.089 1.00 42.31 H new ATOM 0 HB3 ARG A 17 -9.842 24.074 -17.291 1.00 42.31 H new ATOM 0 HG2 ARG A 17 -12.757 24.936 -17.290 1.00 1.13 H new ATOM 0 HG3 ARG A 17 -11.494 25.555 -18.335 1.00 1.13 H new ATOM 0 HD2 ARG A 17 -11.277 22.844 -18.786 1.00 22.31 H new ATOM 0 HD3 ARG A 17 -12.997 23.000 -18.485 1.00 22.31 H new ATOM 0 HE ARG A 17 -13.246 24.076 -20.530 1.00 14.15 H new ATOM 0 HH11 ARG A 17 -9.863 24.147 -19.526 1.00 22.43 H new ATOM 0 HH12 ARG A 17 -9.303 24.829 -21.056 1.00 22.43 H new ATOM 0 HH21 ARG A 17 -12.519 24.951 -22.493 1.00 10.14 H new ATOM 0 HH22 ARG A 17 -10.800 25.283 -22.729 1.00 10.14 H new ATOM 286 N ILE A 18 -13.180 23.840 -14.906 1.00 73.40 N ATOM 287 CA ILE A 18 -14.609 23.900 -14.623 1.00 61.42 C ATOM 288 C ILE A 18 -15.381 24.462 -15.812 1.00 14.14 C ATOM 289 O ILE A 18 -15.274 25.646 -16.132 1.00 20.04 O ATOM 290 CB ILE A 18 -14.901 24.762 -13.381 1.00 32.31 C ATOM 291 CG1 ILE A 18 -14.068 24.280 -12.191 1.00 70.14 C ATOM 292 CG2 ILE A 18 -16.385 24.722 -13.046 1.00 43.40 C ATOM 293 CD1 ILE A 18 -14.674 23.097 -11.469 1.00 64.43 C ATOM 0 H ILE A 18 -12.618 24.515 -14.387 1.00 73.40 H new ATOM 0 HA ILE A 18 -14.936 22.878 -14.430 1.00 61.42 H new ATOM 0 HB ILE A 18 -14.625 25.794 -13.600 1.00 32.31 H new ATOM 0 HG12 ILE A 18 -13.072 24.010 -12.541 1.00 70.14 H new ATOM 0 HG13 ILE A 18 -13.947 25.102 -11.486 1.00 70.14 H new ATOM 0 HG21 ILE A 18 -16.576 25.336 -12.166 1.00 43.40 H new ATOM 0 HG22 ILE A 18 -16.959 25.107 -13.889 1.00 43.40 H new ATOM 0 HG23 ILE A 18 -16.685 23.694 -12.843 1.00 43.40 H new ATOM 0 HD11 ILE A 18 -14.030 22.810 -10.638 1.00 64.43 H new ATOM 0 HD12 ILE A 18 -15.659 23.368 -11.089 1.00 64.43 H new ATOM 0 HD13 ILE A 18 -14.770 22.259 -12.160 1.00 64.43 H new ATOM 305 N VAL A 19 -16.162 23.605 -16.462 1.00 14.21 N ATOM 306 CA VAL A 19 -16.956 24.017 -17.614 1.00 32.24 C ATOM 307 C VAL A 19 -17.934 25.125 -17.239 1.00 71.14 C ATOM 308 O VAL A 19 -17.943 26.192 -17.853 1.00 75.13 O ATOM 309 CB VAL A 19 -17.742 22.832 -18.206 1.00 31.12 C ATOM 310 CG1 VAL A 19 -18.370 23.219 -19.536 1.00 62.12 C ATOM 311 CG2 VAL A 19 -16.837 21.620 -18.366 1.00 71.24 C ATOM 0 H VAL A 19 -16.262 22.622 -16.211 1.00 14.21 H new ATOM 0 HA VAL A 19 -16.258 24.391 -18.363 1.00 32.24 H new ATOM 0 HB VAL A 19 -18.544 22.569 -17.516 1.00 31.12 H new ATOM 0 HG11 VAL A 19 -18.921 22.369 -19.939 1.00 62.12 H new ATOM 0 HG12 VAL A 19 -19.052 24.056 -19.386 1.00 62.12 H new ATOM 0 HG13 VAL A 19 -17.588 23.509 -20.237 1.00 62.12 H new ATOM 0 HG21 VAL A 19 -17.409 20.792 -18.785 1.00 71.24 H new ATOM 0 HG22 VAL A 19 -16.012 21.867 -19.035 1.00 71.24 H new ATOM 0 HG23 VAL A 19 -16.441 21.331 -17.393 1.00 71.24 H new ATOM 321 N ARG A 20 -18.756 24.865 -16.228 1.00 22.42 N ATOM 322 CA ARG A 20 -19.739 25.840 -15.772 1.00 22.14 C ATOM 323 C ARG A 20 -20.255 25.482 -14.381 1.00 72.31 C ATOM 324 O ARG A 20 -19.751 24.561 -13.738 1.00 32.04 O ATOM 325 CB ARG A 20 -20.907 25.918 -16.757 1.00 24.43 C ATOM 326 CG ARG A 20 -21.628 24.594 -16.951 1.00 54.23 C ATOM 327 CD ARG A 20 -21.183 23.899 -18.228 1.00 43.23 C ATOM 328 NE ARG A 20 -22.302 23.642 -19.131 1.00 22.03 N ATOM 329 CZ ARG A 20 -22.815 24.558 -19.945 1.00 30.24 C ATOM 330 NH1 ARG A 20 -22.312 25.784 -19.969 1.00 42.23 N ATOM 331 NH2 ARG A 20 -23.834 24.247 -20.736 1.00 45.44 N ATOM 0 H ARG A 20 -18.761 23.987 -15.709 1.00 22.42 H new ATOM 0 HA ARG A 20 -19.251 26.813 -15.720 1.00 22.14 H new ATOM 0 HB2 ARG A 20 -21.620 26.662 -16.404 1.00 24.43 H new ATOM 0 HB3 ARG A 20 -20.536 26.265 -17.721 1.00 24.43 H new ATOM 0 HG2 ARG A 20 -21.436 23.945 -16.096 1.00 54.23 H new ATOM 0 HG3 ARG A 20 -22.704 24.766 -16.985 1.00 54.23 H new ATOM 0 HD2 ARG A 20 -20.441 24.515 -18.736 1.00 43.23 H new ATOM 0 HD3 ARG A 20 -20.696 22.957 -17.977 1.00 43.23 H new ATOM 0 HE ARG A 20 -22.712 22.708 -19.137 1.00 22.03 H new ATOM 0 HH11 ARG A 20 -21.529 26.026 -19.362 1.00 42.23 H new ATOM 0 HH12 ARG A 20 -22.708 26.485 -20.595 1.00 42.23 H new ATOM 0 HH21 ARG A 20 -24.224 23.304 -20.719 1.00 45.44 H new ATOM 0 HH22 ARG A 20 -24.228 24.950 -21.361 1.00 45.44 H new ATOM 345 N LYS A 21 -21.263 26.216 -13.923 1.00 34.11 N ATOM 346 CA LYS A 21 -21.850 25.977 -12.610 1.00 23.45 C ATOM 347 C LYS A 21 -23.302 26.443 -12.569 1.00 24.52 C ATOM 348 O LYS A 21 -23.720 27.276 -13.373 1.00 71.50 O ATOM 349 CB LYS A 21 -21.041 26.697 -11.528 1.00 52.23 C ATOM 350 CG LYS A 21 -21.169 28.210 -11.580 1.00 61.21 C ATOM 351 CD LYS A 21 -20.644 28.858 -10.310 1.00 23.41 C ATOM 352 CE LYS A 21 -21.528 30.013 -9.866 1.00 74.53 C ATOM 353 NZ LYS A 21 -21.770 30.982 -10.971 1.00 35.33 N ATOM 0 H LYS A 21 -21.691 26.982 -14.442 1.00 34.11 H new ATOM 0 HA LYS A 21 -21.826 24.904 -12.419 1.00 23.45 H new ATOM 0 HB2 LYS A 21 -21.367 26.346 -10.549 1.00 52.23 H new ATOM 0 HB3 LYS A 21 -19.990 26.426 -11.630 1.00 52.23 H new ATOM 0 HG2 LYS A 21 -20.619 28.593 -12.439 1.00 61.21 H new ATOM 0 HG3 LYS A 21 -22.214 28.483 -11.723 1.00 61.21 H new ATOM 0 HD2 LYS A 21 -20.591 28.113 -9.516 1.00 23.41 H new ATOM 0 HD3 LYS A 21 -19.629 29.219 -10.477 1.00 23.41 H new ATOM 0 HE2 LYS A 21 -22.481 29.624 -9.508 1.00 74.53 H new ATOM 0 HE3 LYS A 21 -21.059 30.528 -9.027 1.00 74.53 H new ATOM 0 HZ1 LYS A 21 -22.055 31.899 -10.572 1.00 35.33 H new ATOM 0 HZ2 LYS A 21 -20.898 31.101 -11.525 1.00 35.33 H new ATOM 0 HZ3 LYS A 21 -22.526 30.623 -11.588 1.00 35.33 H new ATOM 367 N LYS A 22 -24.066 25.901 -11.626 1.00 63.03 N ATOM 368 CA LYS A 22 -25.470 26.263 -11.478 1.00 34.30 C ATOM 369 C LYS A 22 -26.048 25.683 -10.191 1.00 14.43 C ATOM 370 O LYS A 22 -25.709 24.568 -9.794 1.00 4.43 O ATOM 371 CB LYS A 22 -26.276 25.765 -12.680 1.00 50.44 C ATOM 372 CG LYS A 22 -26.561 24.274 -12.647 1.00 21.12 C ATOM 373 CD LYS A 22 -27.993 23.989 -12.225 1.00 64.02 C ATOM 374 CE LYS A 22 -28.810 23.421 -13.375 1.00 62.24 C ATOM 375 NZ LYS A 22 -30.205 23.105 -12.962 1.00 11.14 N ATOM 0 H LYS A 22 -23.736 25.209 -10.953 1.00 63.03 H new ATOM 0 HA LYS A 22 -25.536 27.350 -11.429 1.00 34.30 H new ATOM 0 HB2 LYS A 22 -27.221 26.306 -12.722 1.00 50.44 H new ATOM 0 HB3 LYS A 22 -25.732 26.002 -13.594 1.00 50.44 H new ATOM 0 HG2 LYS A 22 -26.379 23.846 -13.633 1.00 21.12 H new ATOM 0 HG3 LYS A 22 -25.873 23.786 -11.956 1.00 21.12 H new ATOM 0 HD2 LYS A 22 -27.995 23.285 -11.393 1.00 64.02 H new ATOM 0 HD3 LYS A 22 -28.457 24.908 -11.866 1.00 64.02 H new ATOM 0 HE2 LYS A 22 -28.828 24.138 -14.196 1.00 62.24 H new ATOM 0 HE3 LYS A 22 -28.329 22.518 -13.751 1.00 62.24 H new ATOM 0 HZ1 LYS A 22 -30.729 22.720 -13.774 1.00 11.14 H new ATOM 0 HZ2 LYS A 22 -30.189 22.402 -12.196 1.00 11.14 H new ATOM 0 HZ3 LYS A 22 -30.673 23.972 -12.627 1.00 11.14 H new ATOM 389 N ILE A 23 -26.924 26.446 -9.545 1.00 4.43 N ATOM 390 CA ILE A 23 -27.550 26.007 -8.304 1.00 71.22 C ATOM 391 C ILE A 23 -29.006 25.616 -8.532 1.00 53.02 C ATOM 392 O ILE A 23 -29.674 26.154 -9.416 1.00 64.51 O ATOM 393 CB ILE A 23 -27.487 27.102 -7.223 1.00 34.20 C ATOM 394 CG1 ILE A 23 -28.616 28.115 -7.426 1.00 31.42 C ATOM 395 CG2 ILE A 23 -26.134 27.796 -7.250 1.00 40.23 C ATOM 396 CD1 ILE A 23 -29.857 27.806 -6.618 1.00 12.10 C ATOM 0 H ILE A 23 -27.216 27.371 -9.861 1.00 4.43 H new ATOM 0 HA ILE A 23 -26.992 25.136 -7.960 1.00 71.22 H new ATOM 0 HB ILE A 23 -27.614 26.635 -6.246 1.00 34.20 H new ATOM 0 HG12 ILE A 23 -28.255 29.108 -7.157 1.00 31.42 H new ATOM 0 HG13 ILE A 23 -28.879 28.147 -8.483 1.00 31.42 H new ATOM 0 HG21 ILE A 23 -26.105 28.567 -6.480 1.00 40.23 H new ATOM 0 HG22 ILE A 23 -25.347 27.066 -7.062 1.00 40.23 H new ATOM 0 HG23 ILE A 23 -25.979 28.253 -8.227 1.00 40.23 H new ATOM 0 HD11 ILE A 23 -30.615 28.565 -6.811 1.00 12.10 H new ATOM 0 HD12 ILE A 23 -30.242 26.827 -6.903 1.00 12.10 H new ATOM 0 HD13 ILE A 23 -29.609 27.803 -5.557 1.00 12.10 H new ATOM 408 N VAL A 24 -29.494 24.677 -7.727 1.00 55.43 N ATOM 409 CA VAL A 24 -30.873 24.216 -7.839 1.00 11.12 C ATOM 410 C VAL A 24 -31.521 24.083 -6.465 1.00 41.42 C ATOM 411 O VAL A 24 -31.021 23.366 -5.598 1.00 34.21 O ATOM 412 CB VAL A 24 -30.954 22.861 -8.566 1.00 34.32 C ATOM 413 CG1 VAL A 24 -32.222 22.778 -9.402 1.00 15.13 C ATOM 414 CG2 VAL A 24 -29.721 22.645 -9.430 1.00 52.41 C ATOM 0 H VAL A 24 -28.955 24.221 -6.991 1.00 55.43 H new ATOM 0 HA VAL A 24 -31.411 24.965 -8.420 1.00 11.12 H new ATOM 0 HB VAL A 24 -30.988 22.069 -7.818 1.00 34.32 H new ATOM 0 HG11 VAL A 24 -32.262 21.813 -9.908 1.00 15.13 H new ATOM 0 HG12 VAL A 24 -33.092 22.884 -8.754 1.00 15.13 H new ATOM 0 HG13 VAL A 24 -32.222 23.577 -10.143 1.00 15.13 H new ATOM 0 HG21 VAL A 24 -29.795 21.683 -9.936 1.00 52.41 H new ATOM 0 HG22 VAL A 24 -29.653 23.441 -10.172 1.00 52.41 H new ATOM 0 HG23 VAL A 24 -28.830 22.657 -8.802 1.00 52.41 H new ATOM 424 N HIS A 25 -32.637 24.780 -6.273 1.00 60.45 N ATOM 425 CA HIS A 25 -33.355 24.739 -5.005 1.00 31.25 C ATOM 426 C HIS A 25 -32.436 25.121 -3.848 1.00 15.31 C ATOM 427 O HIS A 25 -32.671 24.738 -2.703 1.00 33.12 O ATOM 428 CB HIS A 25 -33.938 23.345 -4.769 1.00 1.12 C ATOM 429 CG HIS A 25 -35.348 23.363 -4.265 1.00 12.01 C ATOM 430 ND1 HIS A 25 -35.694 23.825 -3.012 1.00 71.54 N ATOM 431 CD2 HIS A 25 -36.504 22.974 -4.853 1.00 44.33 C ATOM 432 CE1 HIS A 25 -37.001 23.717 -2.851 1.00 41.25 C ATOM 433 NE2 HIS A 25 -37.516 23.204 -3.954 1.00 42.44 N ATOM 0 H HIS A 25 -33.063 25.380 -6.980 1.00 60.45 H new ATOM 0 HA HIS A 25 -34.170 25.462 -5.054 1.00 31.25 H new ATOM 0 HB2 HIS A 25 -33.901 22.782 -5.702 1.00 1.12 H new ATOM 0 HB3 HIS A 25 -33.311 22.815 -4.052 1.00 1.12 H new ATOM 0 HD2 HIS A 25 -36.610 22.560 -5.845 1.00 44.33 H new ATOM 0 HE1 HIS A 25 -37.554 24.000 -1.968 1.00 41.25 H new ATOM 0 HE2 HIS A 25 -38.505 23.010 -4.112 1.00 42.44 H new ATOM 441 N GLY A 26 -31.388 25.879 -4.156 1.00 54.33 N ATOM 442 CA GLY A 26 -30.450 26.300 -3.132 1.00 71.13 C ATOM 443 C GLY A 26 -29.246 25.384 -3.038 1.00 43.43 C ATOM 444 O GLY A 26 -28.479 25.453 -2.079 1.00 2.42 O ATOM 0 H GLY A 26 -31.172 26.209 -5.097 1.00 54.33 H new ATOM 0 HA2 GLY A 26 -30.115 27.315 -3.346 1.00 71.13 H new ATOM 0 HA3 GLY A 26 -30.958 26.328 -2.168 1.00 71.13 H new ATOM 448 N ASN A 27 -29.080 24.523 -4.037 1.00 3.12 N ATOM 449 CA ASN A 27 -27.961 23.588 -4.061 1.00 62.14 C ATOM 450 C ASN A 27 -27.029 23.885 -5.232 1.00 50.23 C ATOM 451 O ASN A 27 -27.350 23.596 -6.385 1.00 71.25 O ATOM 452 CB ASN A 27 -28.473 22.149 -4.156 1.00 14.45 C ATOM 453 CG ASN A 27 -29.357 21.772 -2.982 1.00 41.50 C ATOM 454 OD1 ASN A 27 -30.557 21.551 -3.141 1.00 35.24 O ATOM 455 ND2 ASN A 27 -28.765 21.698 -1.796 1.00 2.53 N ATOM 0 H ASN A 27 -29.705 24.453 -4.840 1.00 3.12 H new ATOM 0 HA ASN A 27 -27.401 23.707 -3.134 1.00 62.14 H new ATOM 0 HB2 ASN A 27 -29.033 22.026 -5.083 1.00 14.45 H new ATOM 0 HB3 ASN A 27 -27.624 21.466 -4.203 1.00 14.45 H new ATOM 0 HD21 ASN A 27 -29.308 21.449 -0.969 1.00 2.53 H new ATOM 0 HD22 ASN A 27 -27.767 21.890 -1.711 1.00 2.53 H new ATOM 462 N THR A 28 -25.872 24.465 -4.928 1.00 62.13 N ATOM 463 CA THR A 28 -24.893 24.802 -5.954 1.00 52.13 C ATOM 464 C THR A 28 -24.307 23.546 -6.589 1.00 1.31 C ATOM 465 O THR A 28 -24.118 22.531 -5.919 1.00 3.11 O ATOM 466 CB THR A 28 -23.747 25.656 -5.379 1.00 33.43 C ATOM 467 OG1 THR A 28 -24.257 26.557 -4.389 1.00 61.33 O ATOM 468 CG2 THR A 28 -23.053 26.443 -6.480 1.00 14.22 C ATOM 0 H THR A 28 -25.590 24.711 -3.979 1.00 62.13 H new ATOM 0 HA THR A 28 -25.419 25.379 -6.715 1.00 52.13 H new ATOM 0 HB THR A 28 -23.019 24.987 -4.920 1.00 33.43 H new ATOM 0 HG1 THR A 28 -23.522 27.095 -4.027 1.00 61.33 H new ATOM 0 HG21 THR A 28 -22.248 27.038 -6.050 1.00 14.22 H new ATOM 0 HG22 THR A 28 -22.641 25.753 -7.216 1.00 14.22 H new ATOM 0 HG23 THR A 28 -23.773 27.103 -6.965 1.00 14.22 H new ATOM 476 N SER A 29 -24.020 23.622 -7.885 1.00 13.04 N ATOM 477 CA SER A 29 -23.458 22.489 -8.611 1.00 2.44 C ATOM 478 C SER A 29 -22.417 22.956 -9.623 1.00 44.23 C ATOM 479 O SER A 29 -22.676 23.849 -10.430 1.00 42.41 O ATOM 480 CB SER A 29 -24.566 21.712 -9.323 1.00 72.01 C ATOM 481 OG SER A 29 -25.649 21.450 -8.448 1.00 14.52 O ATOM 0 H SER A 29 -24.167 24.456 -8.453 1.00 13.04 H new ATOM 0 HA SER A 29 -22.970 21.833 -7.890 1.00 2.44 H new ATOM 0 HB2 SER A 29 -24.919 22.281 -10.183 1.00 72.01 H new ATOM 0 HB3 SER A 29 -24.168 20.772 -9.705 1.00 72.01 H new ATOM 0 HG SER A 29 -26.345 20.954 -8.928 1.00 14.52 H new ATOM 487 N TYR A 30 -21.238 22.345 -9.575 1.00 10.55 N ATOM 488 CA TYR A 30 -20.156 22.699 -10.485 1.00 44.12 C ATOM 489 C TYR A 30 -19.962 21.620 -11.547 1.00 14.34 C ATOM 490 O TYR A 30 -19.662 20.468 -11.231 1.00 1.33 O ATOM 491 CB TYR A 30 -18.854 22.905 -9.708 1.00 71.05 C ATOM 492 CG TYR A 30 -18.723 24.284 -9.102 1.00 65.21 C ATOM 493 CD1 TYR A 30 -19.741 24.822 -8.325 1.00 2.31 C ATOM 494 CD2 TYR A 30 -17.581 25.049 -9.307 1.00 62.50 C ATOM 495 CE1 TYR A 30 -19.625 26.082 -7.769 1.00 74.13 C ATOM 496 CE2 TYR A 30 -17.456 26.308 -8.754 1.00 52.33 C ATOM 497 CZ TYR A 30 -18.481 26.821 -7.986 1.00 71.35 C ATOM 498 OH TYR A 30 -18.361 28.076 -7.435 1.00 73.13 O ATOM 0 H TYR A 30 -21.008 21.602 -8.915 1.00 10.55 H new ATOM 0 HA TYR A 30 -20.425 23.630 -10.984 1.00 44.12 H new ATOM 0 HB2 TYR A 30 -18.793 22.161 -8.914 1.00 71.05 H new ATOM 0 HB3 TYR A 30 -18.010 22.729 -10.375 1.00 71.05 H new ATOM 0 HD1 TYR A 30 -20.638 24.246 -8.152 1.00 2.31 H new ATOM 0 HD2 TYR A 30 -16.777 24.652 -9.909 1.00 62.50 H new ATOM 0 HE1 TYR A 30 -20.426 26.486 -7.168 1.00 74.13 H new ATOM 0 HE2 TYR A 30 -16.561 26.888 -8.922 1.00 52.33 H new ATOM 0 HH TYR A 30 -17.505 28.146 -6.964 1.00 73.13 H new ATOM 508 N LEU A 31 -20.136 22.002 -12.807 1.00 54.10 N ATOM 509 CA LEU A 31 -19.981 21.069 -13.918 1.00 3.05 C ATOM 510 C LEU A 31 -18.570 21.137 -14.493 1.00 3.44 C ATOM 511 O LEU A 31 -18.178 22.142 -15.087 1.00 10.13 O ATOM 512 CB LEU A 31 -21.005 21.373 -15.012 1.00 72.11 C ATOM 513 CG LEU A 31 -21.018 20.415 -16.204 1.00 31.01 C ATOM 514 CD1 LEU A 31 -21.137 18.975 -15.730 1.00 22.21 C ATOM 515 CD2 LEU A 31 -22.155 20.761 -17.154 1.00 53.10 C ATOM 0 H LEU A 31 -20.385 22.951 -13.085 1.00 54.10 H new ATOM 0 HA LEU A 31 -20.151 20.061 -13.540 1.00 3.05 H new ATOM 0 HB2 LEU A 31 -21.998 21.375 -14.562 1.00 72.11 H new ATOM 0 HB3 LEU A 31 -20.821 22.381 -15.384 1.00 72.11 H new ATOM 0 HG LEU A 31 -20.076 20.522 -16.742 1.00 31.01 H new ATOM 0 HD11 LEU A 31 -21.145 18.308 -16.592 1.00 22.21 H new ATOM 0 HD12 LEU A 31 -20.289 18.731 -15.090 1.00 22.21 H new ATOM 0 HD13 LEU A 31 -22.063 18.852 -15.168 1.00 22.21 H new ATOM 0 HD21 LEU A 31 -22.149 20.069 -17.996 1.00 53.10 H new ATOM 0 HD22 LEU A 31 -23.106 20.683 -16.627 1.00 53.10 H new ATOM 0 HD23 LEU A 31 -22.026 21.779 -17.520 1.00 53.10 H new ATOM 527 N VAL A 32 -17.810 20.061 -14.314 1.00 14.12 N ATOM 528 CA VAL A 32 -16.444 19.997 -14.818 1.00 3.33 C ATOM 529 C VAL A 32 -16.283 18.867 -15.828 1.00 42.34 C ATOM 530 O VAL A 32 -16.911 17.816 -15.706 1.00 73.32 O ATOM 531 CB VAL A 32 -15.432 19.796 -13.673 1.00 75.35 C ATOM 532 CG1 VAL A 32 -15.568 18.402 -13.081 1.00 23.45 C ATOM 533 CG2 VAL A 32 -14.014 20.039 -14.167 1.00 73.34 C ATOM 0 H VAL A 32 -18.118 19.221 -13.823 1.00 14.12 H new ATOM 0 HA VAL A 32 -16.243 20.950 -15.308 1.00 3.33 H new ATOM 0 HB VAL A 32 -15.647 20.521 -12.888 1.00 75.35 H new ATOM 0 HG11 VAL A 32 -14.846 18.277 -12.274 1.00 23.45 H new ATOM 0 HG12 VAL A 32 -16.577 18.270 -12.689 1.00 23.45 H new ATOM 0 HG13 VAL A 32 -15.379 17.658 -13.855 1.00 23.45 H new ATOM 0 HG21 VAL A 32 -13.312 19.893 -13.346 1.00 73.34 H new ATOM 0 HG22 VAL A 32 -13.784 19.339 -14.970 1.00 73.34 H new ATOM 0 HG23 VAL A 32 -13.928 21.060 -14.540 1.00 73.34 H new ATOM 543 N LYS A 33 -15.436 19.091 -16.828 1.00 20.15 N ATOM 544 CA LYS A 33 -15.189 18.092 -17.860 1.00 74.53 C ATOM 545 C LYS A 33 -14.029 17.181 -17.471 1.00 0.43 C ATOM 546 O LYS A 33 -13.531 17.242 -16.347 1.00 32.15 O ATOM 547 CB LYS A 33 -14.890 18.773 -19.197 1.00 53.14 C ATOM 548 CG LYS A 33 -13.793 19.820 -19.115 1.00 25.54 C ATOM 549 CD LYS A 33 -13.476 20.405 -20.481 1.00 10.05 C ATOM 550 CE LYS A 33 -14.189 21.731 -20.698 1.00 35.33 C ATOM 551 NZ LYS A 33 -15.524 21.545 -21.331 1.00 71.15 N ATOM 0 H LYS A 33 -14.909 19.957 -16.945 1.00 20.15 H new ATOM 0 HA LYS A 33 -16.087 17.483 -17.962 1.00 74.53 H new ATOM 0 HB2 LYS A 33 -14.603 18.014 -19.925 1.00 53.14 H new ATOM 0 HB3 LYS A 33 -15.801 19.242 -19.568 1.00 53.14 H new ATOM 0 HG2 LYS A 33 -14.100 20.618 -18.439 1.00 25.54 H new ATOM 0 HG3 LYS A 33 -12.893 19.373 -18.692 1.00 25.54 H new ATOM 0 HD2 LYS A 33 -12.400 20.550 -20.575 1.00 10.05 H new ATOM 0 HD3 LYS A 33 -13.772 19.700 -21.258 1.00 10.05 H new ATOM 0 HE2 LYS A 33 -14.308 22.240 -19.742 1.00 35.33 H new ATOM 0 HE3 LYS A 33 -13.575 22.375 -21.328 1.00 35.33 H new ATOM 0 HZ1 LYS A 33 -16.040 22.448 -21.324 1.00 71.15 H new ATOM 0 HZ2 LYS A 33 -15.401 21.224 -22.313 1.00 71.15 H new ATOM 0 HZ3 LYS A 33 -16.064 20.833 -20.799 1.00 71.15 H new ATOM 565 N TRP A 34 -13.603 16.341 -18.406 1.00 43.04 N ATOM 566 CA TRP A 34 -12.499 15.419 -18.160 1.00 53.45 C ATOM 567 C TRP A 34 -11.399 15.598 -19.200 1.00 43.14 C ATOM 568 O TRP A 34 -11.376 14.909 -20.220 1.00 54.15 O ATOM 569 CB TRP A 34 -13.002 13.975 -18.174 1.00 65.25 C ATOM 570 CG TRP A 34 -14.051 13.701 -17.140 1.00 71.32 C ATOM 571 CD1 TRP A 34 -14.186 14.313 -15.927 1.00 3.10 C ATOM 572 CD2 TRP A 34 -15.111 12.742 -17.228 1.00 52.41 C ATOM 573 NE1 TRP A 34 -15.266 13.793 -15.255 1.00 42.13 N ATOM 574 CE2 TRP A 34 -15.851 12.829 -16.032 1.00 61.34 C ATOM 575 CE3 TRP A 34 -15.509 11.822 -18.201 1.00 61.40 C ATOM 576 CZ2 TRP A 34 -16.963 12.028 -15.786 1.00 22.10 C ATOM 577 CZ3 TRP A 34 -16.613 11.027 -17.955 1.00 5.32 C ATOM 578 CH2 TRP A 34 -17.330 11.135 -16.756 1.00 23.12 C ATOM 0 H TRP A 34 -14.004 16.278 -19.342 1.00 43.04 H new ATOM 0 HA TRP A 34 -12.083 15.642 -17.177 1.00 53.45 H new ATOM 0 HB2 TRP A 34 -13.407 13.748 -19.160 1.00 65.25 H new ATOM 0 HB3 TRP A 34 -12.159 13.303 -18.013 1.00 65.25 H new ATOM 0 HD1 TRP A 34 -13.539 15.092 -15.551 1.00 3.10 H new ATOM 0 HE1 TRP A 34 -15.581 14.079 -14.328 1.00 42.13 H new ATOM 0 HE3 TRP A 34 -14.964 11.733 -19.129 1.00 61.40 H new ATOM 0 HZ2 TRP A 34 -17.517 12.109 -14.862 1.00 22.10 H new ATOM 0 HZ3 TRP A 34 -16.928 10.311 -18.699 1.00 5.32 H new ATOM 0 HH2 TRP A 34 -18.189 10.501 -16.594 1.00 23.12 H new ATOM 589 N LYS A 35 -10.486 16.527 -18.936 1.00 51.11 N ATOM 590 CA LYS A 35 -9.381 16.796 -19.848 1.00 62.23 C ATOM 591 C LYS A 35 -9.896 17.117 -21.248 1.00 10.24 C ATOM 592 O LYS A 35 -9.274 16.757 -22.246 1.00 32.41 O ATOM 593 CB LYS A 35 -8.435 15.594 -19.905 1.00 35.30 C ATOM 594 CG LYS A 35 -6.970 15.965 -19.759 1.00 41.01 C ATOM 595 CD LYS A 35 -6.189 14.881 -19.035 1.00 74.22 C ATOM 596 CE LYS A 35 -5.586 13.882 -20.011 1.00 40.42 C ATOM 597 NZ LYS A 35 -5.978 12.483 -19.686 1.00 64.12 N ATOM 0 H LYS A 35 -10.490 17.107 -18.097 1.00 51.11 H new ATOM 0 HA LYS A 35 -8.836 17.662 -19.473 1.00 62.23 H new ATOM 0 HB2 LYS A 35 -8.704 14.893 -19.115 1.00 35.30 H new ATOM 0 HB3 LYS A 35 -8.577 15.075 -20.853 1.00 35.30 H new ATOM 0 HG2 LYS A 35 -6.536 16.130 -20.745 1.00 41.01 H new ATOM 0 HG3 LYS A 35 -6.884 16.904 -19.211 1.00 41.01 H new ATOM 0 HD2 LYS A 35 -5.396 15.337 -18.443 1.00 74.22 H new ATOM 0 HD3 LYS A 35 -6.847 14.360 -18.339 1.00 74.22 H new ATOM 0 HE2 LYS A 35 -5.909 14.124 -21.024 1.00 40.42 H new ATOM 0 HE3 LYS A 35 -4.500 13.968 -19.994 1.00 40.42 H new ATOM 0 HZ1 LYS A 35 -5.547 11.833 -20.374 1.00 64.12 H new ATOM 0 HZ2 LYS A 35 -5.648 12.243 -18.729 1.00 64.12 H new ATOM 0 HZ3 LYS A 35 -7.013 12.394 -19.727 1.00 64.12 H new ATOM 611 N ASN A 36 -11.035 17.799 -21.312 1.00 32.23 N ATOM 612 CA ASN A 36 -11.633 18.170 -22.589 1.00 71.42 C ATOM 613 C ASN A 36 -12.087 16.932 -23.357 1.00 71.20 C ATOM 614 O ASN A 36 -12.389 17.004 -24.549 1.00 24.54 O ATOM 615 CB ASN A 36 -10.635 18.968 -23.431 1.00 31.24 C ATOM 616 CG ASN A 36 -11.071 20.406 -23.635 1.00 74.44 C ATOM 617 OD1 ASN A 36 -11.377 20.820 -24.754 1.00 23.02 O ATOM 618 ND2 ASN A 36 -11.102 21.174 -22.553 1.00 53.30 N ATOM 0 H ASN A 36 -11.562 18.106 -20.494 1.00 32.23 H new ATOM 0 HA ASN A 36 -12.506 18.791 -22.386 1.00 71.42 H new ATOM 0 HB2 ASN A 36 -9.659 18.952 -22.945 1.00 31.24 H new ATOM 0 HB3 ASN A 36 -10.515 18.486 -24.401 1.00 31.24 H new ATOM 0 HD21 ASN A 36 -11.388 22.150 -22.629 1.00 53.30 H new ATOM 0 HD22 ASN A 36 -10.840 20.788 -21.646 1.00 53.30 H new ATOM 625 N TYR A 37 -12.134 15.798 -22.666 1.00 42.23 N ATOM 626 CA TYR A 37 -12.549 14.544 -23.283 1.00 32.01 C ATOM 627 C TYR A 37 -14.067 14.397 -23.249 1.00 54.05 C ATOM 628 O TYR A 37 -14.658 13.744 -24.110 1.00 13.51 O ATOM 629 CB TYR A 37 -11.895 13.359 -22.570 1.00 12.54 C ATOM 630 CG TYR A 37 -12.159 12.029 -23.238 1.00 42.23 C ATOM 631 CD1 TYR A 37 -13.375 11.378 -23.077 1.00 75.32 C ATOM 632 CD2 TYR A 37 -11.191 11.423 -24.030 1.00 53.52 C ATOM 633 CE1 TYR A 37 -13.621 10.162 -23.686 1.00 23.24 C ATOM 634 CE2 TYR A 37 -11.428 10.209 -24.644 1.00 32.33 C ATOM 635 CZ TYR A 37 -12.644 9.582 -24.468 1.00 72.32 C ATOM 636 OH TYR A 37 -12.884 8.371 -25.076 1.00 64.24 O ATOM 0 H TYR A 37 -11.890 15.722 -21.679 1.00 42.23 H new ATOM 0 HA TYR A 37 -12.226 14.556 -24.324 1.00 32.01 H new ATOM 0 HB2 TYR A 37 -10.819 13.524 -22.521 1.00 12.54 H new ATOM 0 HB3 TYR A 37 -12.258 13.319 -21.543 1.00 12.54 H new ATOM 0 HD1 TYR A 37 -14.142 11.830 -22.465 1.00 75.32 H new ATOM 0 HD2 TYR A 37 -10.237 11.910 -24.168 1.00 53.52 H new ATOM 0 HE1 TYR A 37 -14.572 9.669 -23.550 1.00 23.24 H new ATOM 0 HE2 TYR A 37 -10.666 9.753 -25.258 1.00 32.33 H new ATOM 0 HH TYR A 37 -12.095 8.102 -25.591 1.00 64.24 H new ATOM 646 N SER A 38 -14.693 15.010 -22.249 1.00 62.33 N ATOM 647 CA SER A 38 -16.142 14.945 -22.100 1.00 41.52 C ATOM 648 C SER A 38 -16.735 16.343 -21.954 1.00 14.42 C ATOM 649 O SER A 38 -17.438 16.633 -20.986 1.00 10.24 O ATOM 650 CB SER A 38 -16.514 14.092 -20.886 1.00 64.44 C ATOM 651 OG SER A 38 -16.589 12.719 -21.232 1.00 4.41 O ATOM 0 H SER A 38 -14.219 15.557 -21.530 1.00 62.33 H new ATOM 0 HA SER A 38 -16.555 14.485 -22.998 1.00 41.52 H new ATOM 0 HB2 SER A 38 -15.774 14.232 -20.098 1.00 64.44 H new ATOM 0 HB3 SER A 38 -17.472 14.422 -20.485 1.00 64.44 H new ATOM 0 HG SER A 38 -16.290 12.174 -20.475 1.00 4.41 H new ATOM 657 N SER A 39 -16.447 17.206 -22.923 1.00 10.31 N ATOM 658 CA SER A 39 -16.948 18.575 -22.901 1.00 52.53 C ATOM 659 C SER A 39 -18.452 18.599 -22.646 1.00 11.53 C ATOM 660 O SER A 39 -18.977 19.537 -22.045 1.00 52.32 O ATOM 661 CB SER A 39 -16.633 19.277 -24.224 1.00 2.44 C ATOM 662 OG SER A 39 -15.237 19.470 -24.379 1.00 35.33 O ATOM 0 H SER A 39 -15.869 16.981 -23.733 1.00 10.31 H new ATOM 0 HA SER A 39 -16.450 19.105 -22.089 1.00 52.53 H new ATOM 0 HB2 SER A 39 -17.016 18.684 -25.054 1.00 2.44 H new ATOM 0 HB3 SER A 39 -17.143 20.240 -24.259 1.00 2.44 H new ATOM 0 HG SER A 39 -15.062 19.919 -25.232 1.00 35.33 H new ATOM 668 N LYS A 40 -19.141 17.561 -23.106 1.00 63.34 N ATOM 669 CA LYS A 40 -20.584 17.459 -22.928 1.00 53.32 C ATOM 670 C LYS A 40 -20.931 16.391 -21.896 1.00 74.13 C ATOM 671 O LYS A 40 -21.999 16.429 -21.284 1.00 50.14 O ATOM 672 CB LYS A 40 -21.262 17.135 -24.261 1.00 61.14 C ATOM 673 CG LYS A 40 -20.937 18.126 -25.366 1.00 33.03 C ATOM 674 CD LYS A 40 -19.636 17.773 -26.067 1.00 12.33 C ATOM 675 CE LYS A 40 -19.885 17.247 -27.472 1.00 31.11 C ATOM 676 NZ LYS A 40 -20.254 15.804 -27.467 1.00 1.25 N ATOM 0 H LYS A 40 -18.722 16.777 -23.606 1.00 63.34 H new ATOM 0 HA LYS A 40 -20.949 18.420 -22.567 1.00 53.32 H new ATOM 0 HB2 LYS A 40 -20.960 16.137 -24.579 1.00 61.14 H new ATOM 0 HB3 LYS A 40 -22.342 17.110 -24.113 1.00 61.14 H new ATOM 0 HG2 LYS A 40 -21.750 18.142 -26.092 1.00 33.03 H new ATOM 0 HG3 LYS A 40 -20.865 19.129 -24.946 1.00 33.03 H new ATOM 0 HD2 LYS A 40 -18.997 18.655 -26.115 1.00 12.33 H new ATOM 0 HD3 LYS A 40 -19.100 17.022 -25.486 1.00 12.33 H new ATOM 0 HE2 LYS A 40 -20.683 17.824 -27.940 1.00 31.11 H new ATOM 0 HE3 LYS A 40 -18.990 17.391 -28.078 1.00 31.11 H new ATOM 0 HZ1 LYS A 40 -20.415 15.484 -28.443 1.00 1.25 H new ATOM 0 HZ2 LYS A 40 -19.482 15.250 -27.044 1.00 1.25 H new ATOM 0 HZ3 LYS A 40 -21.122 15.670 -26.910 1.00 1.25 H new ATOM 690 N ASP A 41 -20.023 15.440 -21.707 1.00 40.33 N ATOM 691 CA ASP A 41 -20.232 14.363 -20.747 1.00 72.22 C ATOM 692 C ASP A 41 -19.682 14.742 -19.376 1.00 13.42 C ATOM 693 O ASP A 41 -19.533 13.892 -18.499 1.00 41.42 O ATOM 694 CB ASP A 41 -19.567 13.076 -21.239 1.00 2.41 C ATOM 695 CG ASP A 41 -20.539 12.158 -21.952 1.00 73.41 C ATOM 696 OD1 ASP A 41 -21.613 12.639 -22.371 1.00 1.41 O ATOM 697 OD2 ASP A 41 -20.227 10.957 -22.092 1.00 65.01 O ATOM 0 H ASP A 41 -19.135 15.393 -22.206 1.00 40.33 H new ATOM 0 HA ASP A 41 -21.305 14.196 -20.654 1.00 72.22 H new ATOM 0 HB2 ASP A 41 -18.749 13.328 -21.914 1.00 2.41 H new ATOM 0 HB3 ASP A 41 -19.130 12.549 -20.391 1.00 2.41 H new ATOM 702 N ASN A 42 -19.382 16.025 -19.199 1.00 21.03 N ATOM 703 CA ASN A 42 -18.847 16.517 -17.934 1.00 43.15 C ATOM 704 C ASN A 42 -19.702 16.047 -16.762 1.00 11.11 C ATOM 705 O ASN A 42 -20.891 15.767 -16.919 1.00 20.44 O ATOM 706 CB ASN A 42 -18.775 18.045 -17.948 1.00 3.44 C ATOM 707 CG ASN A 42 -19.971 18.675 -18.636 1.00 22.44 C ATOM 708 OD1 ASN A 42 -21.060 18.101 -18.659 1.00 41.05 O ATOM 709 ND2 ASN A 42 -19.772 19.860 -19.200 1.00 14.22 N ATOM 0 H ASN A 42 -19.500 16.742 -19.915 1.00 21.03 H new ATOM 0 HA ASN A 42 -17.842 16.113 -17.811 1.00 43.15 H new ATOM 0 HB2 ASN A 42 -18.714 18.412 -16.924 1.00 3.44 H new ATOM 0 HB3 ASN A 42 -17.862 18.358 -18.454 1.00 3.44 H new ATOM 0 HD21 ASN A 42 -20.539 20.333 -19.678 1.00 14.22 H new ATOM 0 HD22 ASN A 42 -18.852 20.298 -19.156 1.00 14.22 H new ATOM 716 N THR A 43 -19.089 15.964 -15.585 1.00 71.21 N ATOM 717 CA THR A 43 -19.793 15.528 -14.386 1.00 31.32 C ATOM 718 C THR A 43 -20.192 16.717 -13.520 1.00 34.24 C ATOM 719 O THR A 43 -19.529 17.754 -13.529 1.00 54.04 O ATOM 720 CB THR A 43 -18.932 14.563 -13.548 1.00 51.24 C ATOM 721 OG1 THR A 43 -17.592 14.541 -14.051 1.00 64.13 O ATOM 722 CG2 THR A 43 -19.513 13.157 -13.575 1.00 43.42 C ATOM 0 H THR A 43 -18.106 16.193 -15.437 1.00 71.21 H new ATOM 0 HA THR A 43 -20.691 15.007 -14.719 1.00 31.32 H new ATOM 0 HB THR A 43 -18.927 14.917 -12.517 1.00 51.24 H new ATOM 0 HG1 THR A 43 -17.507 13.834 -14.725 1.00 64.13 H new ATOM 0 HG21 THR A 43 -18.888 12.494 -12.977 1.00 43.42 H new ATOM 0 HG22 THR A 43 -20.523 13.173 -13.165 1.00 43.42 H new ATOM 0 HG23 THR A 43 -19.545 12.796 -14.603 1.00 43.42 H new ATOM 730 N TRP A 44 -21.278 16.559 -12.772 1.00 13.45 N ATOM 731 CA TRP A 44 -21.765 17.621 -11.898 1.00 52.43 C ATOM 732 C TRP A 44 -21.381 17.352 -10.448 1.00 3.44 C ATOM 733 O TRP A 44 -21.835 16.380 -9.847 1.00 33.34 O ATOM 734 CB TRP A 44 -23.284 17.754 -12.020 1.00 71.22 C ATOM 735 CG TRP A 44 -23.719 18.504 -13.243 1.00 2.24 C ATOM 736 CD1 TRP A 44 -24.066 17.971 -14.451 1.00 43.42 C ATOM 737 CD2 TRP A 44 -23.851 19.924 -13.375 1.00 24.31 C ATOM 738 NE1 TRP A 44 -24.405 18.974 -15.327 1.00 13.30 N ATOM 739 CE2 TRP A 44 -24.282 20.181 -14.691 1.00 15.12 C ATOM 740 CE3 TRP A 44 -23.648 21.002 -12.510 1.00 10.14 C ATOM 741 CZ2 TRP A 44 -24.513 21.472 -15.159 1.00 71.22 C ATOM 742 CZ3 TRP A 44 -23.877 22.283 -12.976 1.00 60.41 C ATOM 743 CH2 TRP A 44 -24.307 22.509 -14.291 1.00 24.25 C ATOM 0 H TRP A 44 -21.838 15.707 -12.753 1.00 13.45 H new ATOM 0 HA TRP A 44 -21.299 18.556 -12.210 1.00 52.43 H new ATOM 0 HB2 TRP A 44 -23.728 16.759 -12.036 1.00 71.22 H new ATOM 0 HB3 TRP A 44 -23.669 18.261 -11.135 1.00 71.22 H new ATOM 0 HD1 TRP A 44 -24.073 16.916 -14.684 1.00 43.42 H new ATOM 0 HE1 TRP A 44 -24.700 18.841 -16.294 1.00 13.30 H new ATOM 0 HE3 TRP A 44 -23.318 20.837 -11.495 1.00 10.14 H new ATOM 0 HZ2 TRP A 44 -24.843 21.648 -16.172 1.00 71.22 H new ATOM 0 HZ3 TRP A 44 -23.722 23.124 -12.316 1.00 60.41 H new ATOM 0 HH2 TRP A 44 -24.479 23.521 -14.625 1.00 24.25 H new ATOM 754 N GLU A 45 -20.541 18.220 -9.891 1.00 54.45 N ATOM 755 CA GLU A 45 -20.096 18.074 -8.511 1.00 13.24 C ATOM 756 C GLU A 45 -20.454 19.310 -7.690 1.00 11.11 C ATOM 757 O GLU A 45 -20.098 20.433 -8.049 1.00 11.01 O ATOM 758 CB GLU A 45 -18.586 17.835 -8.461 1.00 1.12 C ATOM 759 CG GLU A 45 -18.177 16.434 -8.883 1.00 51.14 C ATOM 760 CD GLU A 45 -17.875 15.533 -7.702 1.00 33.03 C ATOM 761 OE1 GLU A 45 -17.332 16.035 -6.696 1.00 25.31 O ATOM 762 OE2 GLU A 45 -18.183 14.325 -7.783 1.00 55.44 O ATOM 0 H GLU A 45 -20.156 19.031 -10.375 1.00 54.45 H new ATOM 0 HA GLU A 45 -20.607 17.213 -8.081 1.00 13.24 H new ATOM 0 HB2 GLU A 45 -18.090 18.559 -9.108 1.00 1.12 H new ATOM 0 HB3 GLU A 45 -18.231 18.018 -7.447 1.00 1.12 H new ATOM 0 HG2 GLU A 45 -18.975 15.991 -9.478 1.00 51.14 H new ATOM 0 HG3 GLU A 45 -17.297 16.494 -9.524 1.00 51.14 H new ATOM 769 N THR A 46 -21.162 19.095 -6.585 1.00 43.21 N ATOM 770 CA THR A 46 -21.570 20.190 -5.714 1.00 23.12 C ATOM 771 C THR A 46 -20.418 21.158 -5.471 1.00 43.21 C ATOM 772 O THR A 46 -19.250 20.773 -5.526 1.00 52.53 O ATOM 773 CB THR A 46 -22.081 19.668 -4.358 1.00 30.02 C ATOM 774 OG1 THR A 46 -21.560 18.358 -4.109 1.00 60.42 O ATOM 775 CG2 THR A 46 -23.602 19.628 -4.332 1.00 5.02 C ATOM 0 H THR A 46 -21.464 18.172 -6.273 1.00 43.21 H new ATOM 0 HA THR A 46 -22.380 20.713 -6.223 1.00 23.12 H new ATOM 0 HB THR A 46 -21.738 20.349 -3.579 1.00 30.02 H new ATOM 0 HG1 THR A 46 -21.951 18.002 -3.284 1.00 60.42 H new ATOM 0 HG21 THR A 46 -23.940 19.256 -3.365 1.00 5.02 H new ATOM 0 HG22 THR A 46 -23.995 20.632 -4.492 1.00 5.02 H new ATOM 0 HG23 THR A 46 -23.962 18.967 -5.121 1.00 5.02 H new ATOM 783 N GLU A 47 -20.754 22.416 -5.202 1.00 33.33 N ATOM 784 CA GLU A 47 -19.746 23.439 -4.951 1.00 21.33 C ATOM 785 C GLU A 47 -18.868 23.057 -3.762 1.00 52.30 C ATOM 786 O GLU A 47 -17.736 23.524 -3.638 1.00 2.22 O ATOM 787 CB GLU A 47 -20.413 24.791 -4.693 1.00 2.41 C ATOM 788 CG GLU A 47 -19.495 25.807 -4.034 1.00 23.01 C ATOM 789 CD GLU A 47 -20.156 27.159 -3.851 1.00 11.20 C ATOM 790 OE1 GLU A 47 -20.090 27.983 -4.787 1.00 64.14 O ATOM 791 OE2 GLU A 47 -20.740 27.394 -2.772 1.00 63.23 O ATOM 0 H GLU A 47 -21.716 22.751 -5.152 1.00 33.33 H new ATOM 0 HA GLU A 47 -19.115 23.517 -5.837 1.00 21.33 H new ATOM 0 HB2 GLU A 47 -20.770 25.197 -5.639 1.00 2.41 H new ATOM 0 HB3 GLU A 47 -21.288 24.640 -4.060 1.00 2.41 H new ATOM 0 HG2 GLU A 47 -19.177 25.428 -3.063 1.00 23.01 H new ATOM 0 HG3 GLU A 47 -18.596 25.925 -4.639 1.00 23.01 H new ATOM 798 N ASP A 48 -19.399 22.207 -2.891 1.00 34.40 N ATOM 799 CA ASP A 48 -18.665 21.761 -1.712 1.00 55.31 C ATOM 800 C ASP A 48 -17.996 20.414 -1.966 1.00 1.24 C ATOM 801 O ASP A 48 -17.335 19.863 -1.085 1.00 41.03 O ATOM 802 CB ASP A 48 -19.604 21.660 -0.509 1.00 31.02 C ATOM 803 CG ASP A 48 -19.500 22.862 0.410 1.00 63.43 C ATOM 804 OD1 ASP A 48 -18.364 23.303 0.682 1.00 41.14 O ATOM 805 OD2 ASP A 48 -20.554 23.360 0.857 1.00 21.04 O ATOM 0 H ASP A 48 -20.336 21.812 -2.979 1.00 34.40 H new ATOM 0 HA ASP A 48 -17.890 22.496 -1.497 1.00 55.31 H new ATOM 0 HB2 ASP A 48 -20.631 21.563 -0.861 1.00 31.02 H new ATOM 0 HB3 ASP A 48 -19.373 20.755 0.053 1.00 31.02 H new ATOM 810 N ASP A 49 -18.173 19.890 -3.173 1.00 64.41 N ATOM 811 CA ASP A 49 -17.586 18.607 -3.543 1.00 23.22 C ATOM 812 C ASP A 49 -16.689 18.753 -4.768 1.00 62.51 C ATOM 813 O ASP A 49 -16.001 17.810 -5.162 1.00 32.24 O ATOM 814 CB ASP A 49 -18.685 17.580 -3.819 1.00 23.40 C ATOM 815 CG ASP A 49 -19.499 17.256 -2.582 1.00 21.02 C ATOM 816 OD1 ASP A 49 -19.271 17.900 -1.537 1.00 10.32 O ATOM 817 OD2 ASP A 49 -20.363 16.358 -2.658 1.00 74.32 O ATOM 0 H ASP A 49 -18.718 20.333 -3.912 1.00 64.41 H new ATOM 0 HA ASP A 49 -16.977 18.260 -2.709 1.00 23.22 H new ATOM 0 HB2 ASP A 49 -19.347 17.961 -4.596 1.00 23.40 H new ATOM 0 HB3 ASP A 49 -18.235 16.665 -4.204 1.00 23.40 H new ATOM 822 N ILE A 50 -16.702 19.939 -5.367 1.00 30.50 N ATOM 823 CA ILE A 50 -15.890 20.207 -6.547 1.00 60.13 C ATOM 824 C ILE A 50 -14.600 20.929 -6.174 1.00 42.13 C ATOM 825 O ILE A 50 -13.561 20.732 -6.806 1.00 14.32 O ATOM 826 CB ILE A 50 -16.659 21.053 -7.579 1.00 41.12 C ATOM 827 CG1 ILE A 50 -15.833 21.213 -8.857 1.00 61.22 C ATOM 828 CG2 ILE A 50 -17.008 22.413 -6.994 1.00 41.41 C ATOM 829 CD1 ILE A 50 -16.430 20.508 -10.055 1.00 34.12 C ATOM 0 H ILE A 50 -17.266 20.729 -5.054 1.00 30.50 H new ATOM 0 HA ILE A 50 -15.648 19.241 -6.990 1.00 60.13 H new ATOM 0 HB ILE A 50 -17.586 20.538 -7.830 1.00 41.12 H new ATOM 0 HG12 ILE A 50 -15.731 22.274 -9.084 1.00 61.22 H new ATOM 0 HG13 ILE A 50 -14.829 20.827 -8.682 1.00 61.22 H new ATOM 0 HG21 ILE A 50 -17.551 22.999 -7.735 1.00 41.41 H new ATOM 0 HG22 ILE A 50 -17.631 22.280 -6.109 1.00 41.41 H new ATOM 0 HG23 ILE A 50 -16.092 22.936 -6.718 1.00 41.41 H new ATOM 0 HD11 ILE A 50 -15.792 20.664 -10.925 1.00 34.12 H new ATOM 0 HD12 ILE A 50 -16.506 19.441 -9.848 1.00 34.12 H new ATOM 0 HD13 ILE A 50 -17.423 20.910 -10.257 1.00 34.12 H new ATOM 841 N ARG A 51 -14.673 21.765 -5.143 1.00 64.43 N ATOM 842 CA ARG A 51 -13.510 22.516 -4.685 1.00 53.03 C ATOM 843 C ARG A 51 -12.584 21.632 -3.855 1.00 50.03 C ATOM 844 O ARG A 51 -11.410 21.951 -3.664 1.00 21.41 O ATOM 845 CB ARG A 51 -13.952 23.727 -3.861 1.00 24.43 C ATOM 846 CG ARG A 51 -14.041 23.448 -2.369 1.00 74.42 C ATOM 847 CD ARG A 51 -15.185 22.498 -2.048 1.00 52.30 C ATOM 848 NE ARG A 51 -15.074 21.943 -0.702 1.00 11.22 N ATOM 849 CZ ARG A 51 -15.266 22.654 0.404 1.00 22.42 C ATOM 850 NH1 ARG A 51 -15.577 23.940 0.324 1.00 21.02 N ATOM 851 NH2 ARG A 51 -15.147 22.077 1.593 1.00 2.24 N ATOM 0 H ARG A 51 -15.525 21.939 -4.609 1.00 64.43 H new ATOM 0 HA ARG A 51 -12.963 22.862 -5.562 1.00 53.03 H new ATOM 0 HB2 ARG A 51 -13.251 24.545 -4.028 1.00 24.43 H new ATOM 0 HB3 ARG A 51 -14.925 24.063 -4.218 1.00 24.43 H new ATOM 0 HG2 ARG A 51 -13.101 23.019 -2.021 1.00 74.42 H new ATOM 0 HG3 ARG A 51 -14.182 24.385 -1.830 1.00 74.42 H new ATOM 0 HD2 ARG A 51 -16.133 23.027 -2.145 1.00 52.30 H new ATOM 0 HD3 ARG A 51 -15.197 21.686 -2.775 1.00 52.30 H new ATOM 0 HE ARG A 51 -14.836 20.956 -0.605 1.00 11.22 H new ATOM 0 HH11 ARG A 51 -15.670 24.387 -0.588 1.00 21.02 H new ATOM 0 HH12 ARG A 51 -15.724 24.483 1.175 1.00 21.02 H new ATOM 0 HH21 ARG A 51 -14.908 21.088 1.658 1.00 2.24 H new ATOM 0 HH22 ARG A 51 -15.294 22.623 2.442 1.00 2.24 H new ATOM 865 N THR A 52 -13.120 20.519 -3.363 1.00 51.33 N ATOM 866 CA THR A 52 -12.343 19.590 -2.553 1.00 12.23 C ATOM 867 C THR A 52 -11.646 18.551 -3.423 1.00 72.13 C ATOM 868 O THR A 52 -10.589 18.032 -3.064 1.00 11.44 O ATOM 869 CB THR A 52 -13.230 18.868 -1.521 1.00 21.30 C ATOM 870 OG1 THR A 52 -12.490 17.818 -0.889 1.00 23.52 O ATOM 871 CG2 THR A 52 -14.472 18.291 -2.184 1.00 41.50 C ATOM 0 H THR A 52 -14.090 20.240 -3.512 1.00 51.33 H new ATOM 0 HA THR A 52 -11.593 20.180 -2.027 1.00 12.23 H new ATOM 0 HB THR A 52 -13.542 19.595 -0.771 1.00 21.30 H new ATOM 0 HG1 THR A 52 -13.060 17.365 -0.233 1.00 23.52 H new ATOM 0 HG21 THR A 52 -15.083 17.786 -1.436 1.00 41.50 H new ATOM 0 HG22 THR A 52 -15.048 19.096 -2.640 1.00 41.50 H new ATOM 0 HG23 THR A 52 -14.176 17.577 -2.952 1.00 41.50 H new ATOM 879 N LYS A 53 -12.244 18.251 -4.571 1.00 72.52 N ATOM 880 CA LYS A 53 -11.680 17.274 -5.496 1.00 13.14 C ATOM 881 C LYS A 53 -10.989 17.968 -6.665 1.00 21.01 C ATOM 882 O LYS A 53 -9.994 17.471 -7.194 1.00 74.00 O ATOM 883 CB LYS A 53 -12.777 16.343 -6.017 1.00 62.25 C ATOM 884 CG LYS A 53 -13.541 15.627 -4.917 1.00 60.45 C ATOM 885 CD LYS A 53 -14.896 15.142 -5.404 1.00 53.15 C ATOM 886 CE LYS A 53 -14.959 13.623 -5.459 1.00 45.34 C ATOM 887 NZ LYS A 53 -16.325 13.113 -5.162 1.00 15.14 N ATOM 0 H LYS A 53 -13.120 18.670 -4.884 1.00 72.52 H new ATOM 0 HA LYS A 53 -10.938 16.685 -4.957 1.00 13.14 H new ATOM 0 HB2 LYS A 53 -13.479 16.922 -6.617 1.00 62.25 H new ATOM 0 HB3 LYS A 53 -12.329 15.601 -6.678 1.00 62.25 H new ATOM 0 HG2 LYS A 53 -12.957 14.779 -4.560 1.00 60.45 H new ATOM 0 HG3 LYS A 53 -13.677 16.300 -4.070 1.00 60.45 H new ATOM 0 HD2 LYS A 53 -15.677 15.516 -4.741 1.00 53.15 H new ATOM 0 HD3 LYS A 53 -15.096 15.551 -6.394 1.00 53.15 H new ATOM 0 HE2 LYS A 53 -14.651 13.283 -6.448 1.00 45.34 H new ATOM 0 HE3 LYS A 53 -14.252 13.204 -4.743 1.00 45.34 H new ATOM 0 HZ1 LYS A 53 -16.326 12.074 -5.210 1.00 15.14 H new ATOM 0 HZ2 LYS A 53 -16.609 13.416 -4.209 1.00 15.14 H new ATOM 0 HZ3 LYS A 53 -16.996 13.492 -5.860 1.00 15.14 H new ATOM 901 N TYR A 54 -11.521 19.119 -7.062 1.00 64.41 N ATOM 902 CA TYR A 54 -10.955 19.880 -8.169 1.00 42.04 C ATOM 903 C TYR A 54 -10.723 21.334 -7.769 1.00 24.44 C ATOM 904 O TYR A 54 -10.839 22.242 -8.590 1.00 3.22 O ATOM 905 CB TYR A 54 -11.881 19.816 -9.385 1.00 43.33 C ATOM 906 CG TYR A 54 -12.419 18.431 -9.664 1.00 53.33 C ATOM 907 CD1 TYR A 54 -11.565 17.383 -9.983 1.00 40.24 C ATOM 908 CD2 TYR A 54 -13.783 18.171 -9.608 1.00 31.22 C ATOM 909 CE1 TYR A 54 -12.053 16.117 -10.240 1.00 30.43 C ATOM 910 CE2 TYR A 54 -14.280 16.907 -9.861 1.00 61.22 C ATOM 911 CZ TYR A 54 -13.411 15.883 -10.177 1.00 50.32 C ATOM 912 OH TYR A 54 -13.901 14.623 -10.431 1.00 20.45 O ATOM 0 H TYR A 54 -12.343 19.545 -6.634 1.00 64.41 H new ATOM 0 HA TYR A 54 -9.994 19.436 -8.428 1.00 42.04 H new ATOM 0 HB2 TYR A 54 -12.718 20.497 -9.230 1.00 43.33 H new ATOM 0 HB3 TYR A 54 -11.340 20.170 -10.262 1.00 43.33 H new ATOM 0 HD1 TYR A 54 -10.501 17.561 -10.031 1.00 40.24 H new ATOM 0 HD2 TYR A 54 -14.466 18.971 -9.363 1.00 31.22 H new ATOM 0 HE1 TYR A 54 -11.375 15.314 -10.489 1.00 30.43 H new ATOM 0 HE2 TYR A 54 -15.343 16.721 -9.812 1.00 61.22 H new ATOM 0 HH TYR A 54 -14.877 14.628 -10.344 1.00 20.45 H new ATOM 922 N GLY A 55 -10.393 21.545 -6.498 1.00 23.01 N ATOM 923 CA GLY A 55 -10.148 22.889 -6.009 1.00 15.24 C ATOM 924 C GLY A 55 -9.149 23.644 -6.862 1.00 25.01 C ATOM 925 O GLY A 55 -9.115 24.875 -6.849 1.00 74.42 O ATOM 0 H GLY A 55 -10.291 20.809 -5.799 1.00 23.01 H new ATOM 0 HA2 GLY A 55 -11.088 23.440 -5.983 1.00 15.24 H new ATOM 0 HA3 GLY A 55 -9.780 22.838 -4.984 1.00 15.24 H new ATOM 929 N ASP A 56 -8.330 22.906 -7.604 1.00 34.01 N ATOM 930 CA ASP A 56 -7.324 23.513 -8.467 1.00 2.21 C ATOM 931 C ASP A 56 -7.976 24.405 -9.519 1.00 33.22 C ATOM 932 O ASP A 56 -7.628 25.578 -9.656 1.00 43.24 O ATOM 933 CB ASP A 56 -6.485 22.431 -9.147 1.00 64.35 C ATOM 934 CG ASP A 56 -5.009 22.551 -8.820 1.00 51.14 C ATOM 935 OD1 ASP A 56 -4.671 22.622 -7.620 1.00 61.31 O ATOM 936 OD2 ASP A 56 -4.192 22.574 -9.765 1.00 35.33 O ATOM 0 H ASP A 56 -8.343 21.886 -7.625 1.00 34.01 H new ATOM 0 HA ASP A 56 -6.674 24.130 -7.847 1.00 2.21 H new ATOM 0 HB2 ASP A 56 -6.844 21.449 -8.838 1.00 64.35 H new ATOM 0 HB3 ASP A 56 -6.621 22.495 -10.227 1.00 64.35 H new ATOM 941 N LEU A 57 -8.924 23.841 -10.260 1.00 23.33 N ATOM 942 CA LEU A 57 -9.625 24.584 -11.301 1.00 0.12 C ATOM 943 C LEU A 57 -10.768 25.403 -10.709 1.00 71.33 C ATOM 944 O LEU A 57 -11.099 26.478 -11.209 1.00 5.44 O ATOM 945 CB LEU A 57 -10.165 23.625 -12.363 1.00 55.52 C ATOM 946 CG LEU A 57 -10.538 22.225 -11.876 1.00 64.43 C ATOM 947 CD1 LEU A 57 -11.729 21.688 -12.655 1.00 23.22 C ATOM 948 CD2 LEU A 57 -9.349 21.283 -12.001 1.00 45.21 C ATOM 0 H LEU A 57 -9.225 22.872 -10.159 1.00 23.33 H new ATOM 0 HA LEU A 57 -8.915 25.268 -11.766 1.00 0.12 H new ATOM 0 HB2 LEU A 57 -11.047 24.077 -12.817 1.00 55.52 H new ATOM 0 HB3 LEU A 57 -9.417 23.527 -13.149 1.00 55.52 H new ATOM 0 HG LEU A 57 -10.817 22.290 -10.824 1.00 64.43 H new ATOM 0 HD11 LEU A 57 -11.980 20.690 -12.294 1.00 23.22 H new ATOM 0 HD12 LEU A 57 -12.584 22.350 -12.515 1.00 23.22 H new ATOM 0 HD13 LEU A 57 -11.478 21.638 -13.715 1.00 23.22 H new ATOM 0 HD21 LEU A 57 -9.632 20.291 -11.650 1.00 45.21 H new ATOM 0 HD22 LEU A 57 -9.040 21.224 -13.045 1.00 45.21 H new ATOM 0 HD23 LEU A 57 -8.522 21.659 -11.398 1.00 45.21 H new ATOM 960 N VAL A 58 -11.368 24.887 -9.641 1.00 25.12 N ATOM 961 CA VAL A 58 -12.472 25.571 -8.979 1.00 5.43 C ATOM 962 C VAL A 58 -12.089 26.999 -8.606 1.00 43.33 C ATOM 963 O VAL A 58 -12.877 27.929 -8.777 1.00 53.15 O ATOM 964 CB VAL A 58 -12.915 24.822 -7.708 1.00 1.41 C ATOM 965 CG1 VAL A 58 -13.993 25.606 -6.975 1.00 74.32 C ATOM 966 CG2 VAL A 58 -13.404 23.425 -8.057 1.00 23.20 C ATOM 0 H VAL A 58 -11.108 23.997 -9.216 1.00 25.12 H new ATOM 0 HA VAL A 58 -13.301 25.593 -9.687 1.00 5.43 H new ATOM 0 HB VAL A 58 -12.055 24.726 -7.045 1.00 1.41 H new ATOM 0 HG11 VAL A 58 -14.294 25.062 -6.080 1.00 74.32 H new ATOM 0 HG12 VAL A 58 -13.603 26.583 -6.691 1.00 74.32 H new ATOM 0 HG13 VAL A 58 -14.856 25.736 -7.628 1.00 74.32 H new ATOM 0 HG21 VAL A 58 -13.713 22.910 -7.147 1.00 23.20 H new ATOM 0 HG22 VAL A 58 -14.251 23.496 -8.739 1.00 23.20 H new ATOM 0 HG23 VAL A 58 -12.599 22.866 -8.535 1.00 23.20 H new ATOM 976 N ASP A 59 -10.873 27.166 -8.097 1.00 13.12 N ATOM 977 CA ASP A 59 -10.384 28.482 -7.701 1.00 71.32 C ATOM 978 C ASP A 59 -9.896 29.268 -8.914 1.00 74.43 C ATOM 979 O ASP A 59 -9.394 30.384 -8.782 1.00 72.14 O ATOM 980 CB ASP A 59 -9.254 28.343 -6.680 1.00 11.33 C ATOM 981 CG ASP A 59 -9.768 28.046 -5.285 1.00 21.32 C ATOM 982 OD1 ASP A 59 -10.765 27.303 -5.165 1.00 52.32 O ATOM 983 OD2 ASP A 59 -9.172 28.555 -4.313 1.00 32.44 O ATOM 0 H ASP A 59 -10.208 26.407 -7.949 1.00 13.12 H new ATOM 0 HA ASP A 59 -11.210 29.028 -7.245 1.00 71.32 H new ATOM 0 HB2 ASP A 59 -8.581 27.545 -6.994 1.00 11.33 H new ATOM 0 HB3 ASP A 59 -8.670 29.263 -6.661 1.00 11.33 H new ATOM 988 N ASP A 60 -10.047 28.677 -10.095 1.00 23.13 N ATOM 989 CA ASP A 60 -9.622 29.321 -11.332 1.00 3.52 C ATOM 990 C ASP A 60 -10.827 29.731 -12.173 1.00 44.00 C ATOM 991 O ASP A 60 -10.713 30.559 -13.077 1.00 71.23 O ATOM 992 CB ASP A 60 -8.718 28.385 -12.135 1.00 44.23 C ATOM 993 CG ASP A 60 -7.405 28.103 -11.432 1.00 3.44 C ATOM 994 OD1 ASP A 60 -7.218 28.601 -10.301 1.00 41.45 O ATOM 995 OD2 ASP A 60 -6.564 27.384 -12.011 1.00 12.14 O ATOM 0 H ASP A 60 -10.461 27.753 -10.221 1.00 23.13 H new ATOM 0 HA ASP A 60 -9.061 30.219 -11.071 1.00 3.52 H new ATOM 0 HB2 ASP A 60 -9.240 27.445 -12.313 1.00 44.23 H new ATOM 0 HB3 ASP A 60 -8.517 28.828 -13.110 1.00 44.23 H new ATOM 1000 N PHE A 61 -11.980 29.145 -11.870 1.00 11.02 N ATOM 1001 CA PHE A 61 -13.206 29.447 -12.599 1.00 51.22 C ATOM 1002 C PHE A 61 -14.107 30.374 -11.788 1.00 50.13 C ATOM 1003 O PHE A 61 -14.346 31.518 -12.175 1.00 32.44 O ATOM 1004 CB PHE A 61 -13.955 28.156 -12.937 1.00 12.51 C ATOM 1005 CG PHE A 61 -15.320 28.390 -13.519 1.00 42.12 C ATOM 1006 CD1 PHE A 61 -15.478 28.625 -14.875 1.00 42.54 C ATOM 1007 CD2 PHE A 61 -16.445 28.375 -12.710 1.00 64.12 C ATOM 1008 CE1 PHE A 61 -16.732 28.840 -15.415 1.00 13.54 C ATOM 1009 CE2 PHE A 61 -17.701 28.589 -13.244 1.00 34.23 C ATOM 1010 CZ PHE A 61 -17.845 28.823 -14.597 1.00 54.13 C ATOM 0 H PHE A 61 -12.091 28.458 -11.124 1.00 11.02 H new ATOM 0 HA PHE A 61 -12.933 29.953 -13.525 1.00 51.22 H new ATOM 0 HB2 PHE A 61 -13.362 27.576 -13.644 1.00 12.51 H new ATOM 0 HB3 PHE A 61 -14.052 27.554 -12.033 1.00 12.51 H new ATOM 0 HD1 PHE A 61 -14.611 28.640 -15.518 1.00 42.54 H new ATOM 0 HD2 PHE A 61 -16.339 28.194 -11.651 1.00 64.12 H new ATOM 0 HE1 PHE A 61 -16.841 29.021 -16.474 1.00 13.54 H new ATOM 0 HE2 PHE A 61 -18.570 28.573 -12.603 1.00 34.23 H new ATOM 0 HZ PHE A 61 -18.826 28.992 -15.015 1.00 54.13 H new ATOM 1020 N GLU A 62 -14.604 29.871 -10.662 1.00 63.25 N ATOM 1021 CA GLU A 62 -15.479 30.653 -9.798 1.00 14.11 C ATOM 1022 C GLU A 62 -14.802 31.952 -9.369 1.00 70.41 C ATOM 1023 O GLU A 62 -15.457 32.980 -9.197 1.00 61.14 O ATOM 1024 CB GLU A 62 -15.874 29.839 -8.564 1.00 11.32 C ATOM 1025 CG GLU A 62 -14.808 29.819 -7.482 1.00 25.43 C ATOM 1026 CD GLU A 62 -14.899 28.592 -6.595 1.00 74.34 C ATOM 1027 OE1 GLU A 62 -15.884 27.835 -6.728 1.00 41.25 O ATOM 1028 OE2 GLU A 62 -13.986 28.388 -5.768 1.00 42.25 O ATOM 0 H GLU A 62 -14.415 28.926 -10.328 1.00 63.25 H new ATOM 0 HA GLU A 62 -16.377 30.902 -10.363 1.00 14.11 H new ATOM 0 HB2 GLU A 62 -16.794 30.249 -8.148 1.00 11.32 H new ATOM 0 HB3 GLU A 62 -16.090 28.815 -8.868 1.00 11.32 H new ATOM 0 HG2 GLU A 62 -13.823 29.854 -7.947 1.00 25.43 H new ATOM 0 HG3 GLU A 62 -14.902 30.714 -6.868 1.00 25.43 H new ATOM 1035 N LYS A 63 -13.486 31.896 -9.197 1.00 43.42 N ATOM 1036 CA LYS A 63 -12.717 33.066 -8.789 1.00 51.42 C ATOM 1037 C LYS A 63 -12.663 34.100 -9.910 1.00 33.12 C ATOM 1038 O LYS A 63 -12.229 35.232 -9.702 1.00 64.22 O ATOM 1039 CB LYS A 63 -11.298 32.656 -8.391 1.00 4.22 C ATOM 1040 CG LYS A 63 -11.238 31.832 -7.117 1.00 22.44 C ATOM 1041 CD LYS A 63 -11.850 32.576 -5.942 1.00 21.44 C ATOM 1042 CE LYS A 63 -10.958 32.506 -4.712 1.00 22.53 C ATOM 1043 NZ LYS A 63 -9.865 33.516 -4.761 1.00 14.35 N ATOM 0 H LYS A 63 -12.929 31.052 -9.334 1.00 43.42 H new ATOM 0 HA LYS A 63 -13.214 33.514 -7.929 1.00 51.42 H new ATOM 0 HB2 LYS A 63 -10.852 32.084 -9.205 1.00 4.22 H new ATOM 0 HB3 LYS A 63 -10.692 33.553 -8.262 1.00 4.22 H new ATOM 0 HG2 LYS A 63 -11.765 30.890 -7.267 1.00 22.44 H new ATOM 0 HG3 LYS A 63 -10.201 31.584 -6.891 1.00 22.44 H new ATOM 0 HD2 LYS A 63 -12.013 33.618 -6.215 1.00 21.44 H new ATOM 0 HD3 LYS A 63 -12.826 32.151 -5.709 1.00 21.44 H new ATOM 0 HE2 LYS A 63 -11.560 32.666 -3.817 1.00 22.53 H new ATOM 0 HE3 LYS A 63 -10.527 31.508 -4.632 1.00 22.53 H new ATOM 0 HZ1 LYS A 63 -9.280 33.436 -3.905 1.00 14.35 H new ATOM 0 HZ2 LYS A 63 -9.275 33.349 -5.601 1.00 14.35 H new ATOM 0 HZ3 LYS A 63 -10.276 34.470 -4.811 1.00 14.35 H new ATOM 1057 N ASN A 64 -13.109 33.703 -11.097 1.00 73.51 N ATOM 1058 CA ASN A 64 -13.113 34.595 -12.250 1.00 44.33 C ATOM 1059 C ASN A 64 -14.499 35.192 -12.473 1.00 32.43 C ATOM 1060 O ASN A 64 -14.633 36.371 -12.797 1.00 1.21 O ATOM 1061 CB ASN A 64 -12.661 33.844 -13.504 1.00 51.13 C ATOM 1062 CG ASN A 64 -11.164 33.605 -13.528 1.00 3.34 C ATOM 1063 OD1 ASN A 64 -10.508 33.804 -14.550 1.00 60.04 O ATOM 1064 ND2 ASN A 64 -10.615 33.176 -12.397 1.00 15.44 N ATOM 0 H ASN A 64 -13.473 32.769 -11.286 1.00 73.51 H new ATOM 0 HA ASN A 64 -12.415 35.408 -12.050 1.00 44.33 H new ATOM 0 HB2 ASN A 64 -13.180 32.887 -13.557 1.00 51.13 H new ATOM 0 HB3 ASN A 64 -12.949 34.413 -14.388 1.00 51.13 H new ATOM 0 HD21 ASN A 64 -9.612 32.998 -12.352 1.00 15.44 H new ATOM 0 HD22 ASN A 64 -11.197 33.024 -11.573 1.00 15.44 H new ATOM 1071 N GLN A 65 -15.527 34.368 -12.295 1.00 60.23 N ATOM 1072 CA GLN A 65 -16.903 34.814 -12.477 1.00 12.23 C ATOM 1073 C GLN A 65 -17.445 35.443 -11.197 1.00 43.22 C ATOM 1074 O GLN A 65 -18.526 36.032 -11.191 1.00 60.13 O ATOM 1075 CB GLN A 65 -17.791 33.642 -12.898 1.00 24.52 C ATOM 1076 CG GLN A 65 -17.055 32.579 -13.699 1.00 14.21 C ATOM 1077 CD GLN A 65 -16.287 33.159 -14.870 1.00 72.12 C ATOM 1078 OE1 GLN A 65 -15.105 32.870 -15.056 1.00 62.11 O ATOM 1079 NE2 GLN A 65 -16.957 33.982 -15.668 1.00 43.42 N ATOM 0 H GLN A 65 -15.433 33.389 -12.025 1.00 60.23 H new ATOM 0 HA GLN A 65 -16.912 35.568 -13.264 1.00 12.23 H new ATOM 0 HB2 GLN A 65 -18.219 33.183 -12.007 1.00 24.52 H new ATOM 0 HB3 GLN A 65 -18.623 34.022 -13.492 1.00 24.52 H new ATOM 0 HG2 GLN A 65 -16.364 32.049 -13.043 1.00 14.21 H new ATOM 0 HG3 GLN A 65 -17.772 31.845 -14.067 1.00 14.21 H new ATOM 0 HE21 GLN A 65 -17.936 34.194 -15.476 1.00 43.42 H new ATOM 0 HE22 GLN A 65 -16.493 34.402 -16.473 1.00 43.42 H new ATOM 1088 N LYS A 66 -16.686 35.314 -10.114 1.00 14.52 N ATOM 1089 CA LYS A 66 -17.089 35.871 -8.827 1.00 65.34 C ATOM 1090 C LYS A 66 -17.401 37.358 -8.952 1.00 10.54 C ATOM 1091 O LYS A 66 -18.163 37.912 -8.159 1.00 33.22 O ATOM 1092 CB LYS A 66 -15.986 35.655 -7.788 1.00 41.33 C ATOM 1093 CG LYS A 66 -14.627 36.174 -8.227 1.00 13.14 C ATOM 1094 CD LYS A 66 -14.500 37.670 -7.992 1.00 65.02 C ATOM 1095 CE LYS A 66 -13.163 38.023 -7.358 1.00 63.40 C ATOM 1096 NZ LYS A 66 -13.256 39.243 -6.510 1.00 20.24 N ATOM 0 H LYS A 66 -15.789 34.829 -10.101 1.00 14.52 H new ATOM 0 HA LYS A 66 -17.992 35.355 -8.502 1.00 65.34 H new ATOM 0 HB2 LYS A 66 -16.272 36.149 -6.859 1.00 41.33 H new ATOM 0 HB3 LYS A 66 -15.906 34.590 -7.571 1.00 41.33 H new ATOM 0 HG2 LYS A 66 -13.843 35.651 -7.680 1.00 13.14 H new ATOM 0 HG3 LYS A 66 -14.478 35.957 -9.285 1.00 13.14 H new ATOM 0 HD2 LYS A 66 -14.605 38.198 -8.939 1.00 65.02 H new ATOM 0 HD3 LYS A 66 -15.311 38.008 -7.346 1.00 65.02 H new ATOM 0 HE2 LYS A 66 -12.816 37.186 -6.753 1.00 63.40 H new ATOM 0 HE3 LYS A 66 -12.420 38.180 -8.140 1.00 63.40 H new ATOM 0 HZ1 LYS A 66 -12.325 39.450 -6.096 1.00 20.24 H new ATOM 0 HZ2 LYS A 66 -13.563 40.048 -7.092 1.00 20.24 H new ATOM 0 HZ3 LYS A 66 -13.946 39.084 -5.748 1.00 20.24 H new ATOM 1110 N LYS A 67 -16.809 38.001 -9.952 1.00 44.23 N ATOM 1111 CA LYS A 67 -17.025 39.425 -10.183 1.00 34.50 C ATOM 1112 C LYS A 67 -16.529 40.249 -9.000 1.00 11.23 C ATOM 1113 O LYS A 67 -17.251 41.099 -8.476 1.00 63.43 O ATOM 1114 CB LYS A 67 -18.511 39.703 -10.425 1.00 23.42 C ATOM 1115 CG LYS A 67 -18.768 40.929 -11.283 1.00 10.33 C ATOM 1116 CD LYS A 67 -20.013 41.674 -10.832 1.00 34.14 C ATOM 1117 CE LYS A 67 -21.271 41.079 -11.445 1.00 75.14 C ATOM 1118 NZ LYS A 67 -21.796 39.941 -10.641 1.00 33.11 N ATOM 0 H LYS A 67 -16.175 37.558 -10.617 1.00 44.23 H new ATOM 0 HA LYS A 67 -16.458 39.715 -11.068 1.00 34.50 H new ATOM 0 HB2 LYS A 67 -18.961 38.834 -10.904 1.00 23.42 H new ATOM 0 HB3 LYS A 67 -19.009 39.831 -9.464 1.00 23.42 H new ATOM 0 HG2 LYS A 67 -17.907 41.595 -11.235 1.00 10.33 H new ATOM 0 HG3 LYS A 67 -18.880 40.628 -12.325 1.00 10.33 H new ATOM 0 HD2 LYS A 67 -20.085 41.639 -9.745 1.00 34.14 H new ATOM 0 HD3 LYS A 67 -19.932 42.724 -11.113 1.00 34.14 H new ATOM 0 HE2 LYS A 67 -22.036 41.851 -11.524 1.00 75.14 H new ATOM 0 HE3 LYS A 67 -21.055 40.739 -12.458 1.00 75.14 H new ATOM 0 HZ1 LYS A 67 -21.858 39.093 -11.239 1.00 33.11 H new ATOM 0 HZ2 LYS A 67 -21.156 39.755 -9.843 1.00 33.11 H new ATOM 0 HZ3 LYS A 67 -22.741 40.179 -10.278 1.00 33.11 H new TER 1132 LYS A 67