USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 671 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 37 ASN : amide:sc= -0.65 K(o=-3.9,f=-9.8!) USER MOD Set 1.2: A 40 GLN :FLIP amide:sc= -3.25! C(o=-5.3!,f=-3.9!) USER MOD Set 2.1: A 12 THR OG1 : rot 61:sc= 1.82 USER MOD Set 2.2: A 75 LYS NZ :NH3+ 148:sc= 0.607 (180deg=-0.406) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.0725 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0851 USER MOD Single : A 7 GLN : amide:sc= -0.0928 X(o=-0.093,f=-0.093) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0606 K(o=-0.061,f=-5.7!) USER MOD Single : A 17 SER OG : rot 180:sc= 0.00614 USER MOD Single : A 18 LYS NZ :NH3+ 148:sc= 1.18 (180deg=1.06) USER MOD Single : A 30 SER OG : rot 59:sc= 1.25 USER MOD Single : A 44 HIS : no HE2:sc= 0.398 K(o=0.4,f=-4.4!) USER MOD Single : A 45 SER OG : rot 180:sc= 0.126 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -163:sc= 0 (180deg=-0.0917) USER MOD Single : A 54 GLN : amide:sc= -0.0171 X(o=-0.017,f=-0.17) USER MOD Single : A 56 HIS : no HD1:sc= -0.0543 X(o=-0.054,f=-0.19) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -5.09! C(o=-5.1!,f=-10!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.439 X(o=-0.44,f=-0.33) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0.091) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 169:sc= 0.0908 USER MOD Single : A 85 SER OG : rot 180:sc= 0.103 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.036 -5.570 -2.429 1.00 6.70 N ATOM 2 CA MET A 1 -1.320 -5.205 -2.900 1.00 6.30 C ATOM 3 C MET A 1 -2.257 -5.028 -1.712 1.00 5.83 C ATOM 4 O MET A 1 -2.040 -5.611 -0.648 1.00 6.14 O ATOM 5 CB MET A 1 -1.866 -6.269 -3.864 1.00 6.81 C ATOM 6 CG MET A 1 -2.435 -7.502 -3.178 1.00 7.17 C ATOM 7 SD MET A 1 -3.258 -8.621 -4.328 1.00 7.86 S ATOM 8 CE MET A 1 -4.869 -8.767 -3.555 1.00 8.54 C ATOM 0 H1 MET A 1 0.686 -4.774 -2.592 1.00 6.70 H new ATOM 0 H2 MET A 1 0.003 -5.788 -1.413 1.00 6.70 H new ATOM 0 H3 MET A 1 0.372 -6.404 -2.952 1.00 6.70 H new ATOM 0 HA MET A 1 -1.257 -4.260 -3.440 1.00 6.30 H new ATOM 0 HB2 MET A 1 -2.644 -5.819 -4.480 1.00 6.81 H new ATOM 0 HB3 MET A 1 -1.066 -6.578 -4.536 1.00 6.81 H new ATOM 0 HG2 MET A 1 -1.630 -8.035 -2.672 1.00 7.17 H new ATOM 0 HG3 MET A 1 -3.143 -7.191 -2.410 1.00 7.17 H new ATOM 0 HE1 MET A 1 -5.499 -9.430 -4.149 1.00 8.54 H new ATOM 0 HE2 MET A 1 -4.755 -9.177 -2.552 1.00 8.54 H new ATOM 0 HE3 MET A 1 -5.334 -7.783 -3.494 1.00 8.54 H new ATOM 20 N GLY A 2 -3.289 -4.223 -1.892 1.00 5.41 N ATOM 21 CA GLY A 2 -4.227 -3.971 -0.824 1.00 5.21 C ATOM 22 C GLY A 2 -5.591 -3.589 -1.352 1.00 4.76 C ATOM 23 O GLY A 2 -6.150 -4.284 -2.198 1.00 5.03 O ATOM 0 H GLY A 2 -3.494 -3.737 -2.765 1.00 5.41 H new ATOM 0 HA2 GLY A 2 -4.315 -4.861 -0.200 1.00 5.21 H new ATOM 0 HA3 GLY A 2 -3.847 -3.172 -0.188 1.00 5.21 H new ATOM 27 N VAL A 3 -6.118 -2.475 -0.871 1.00 4.46 N ATOM 28 CA VAL A 3 -7.442 -2.027 -1.274 1.00 4.34 C ATOM 29 C VAL A 3 -7.375 -1.200 -2.554 1.00 3.47 C ATOM 30 O VAL A 3 -7.366 0.031 -2.510 1.00 3.74 O ATOM 31 CB VAL A 3 -8.129 -1.194 -0.169 1.00 5.24 C ATOM 32 CG1 VAL A 3 -9.642 -1.283 -0.301 1.00 6.05 C ATOM 33 CG2 VAL A 3 -7.686 -1.653 1.212 1.00 5.84 C ATOM 0 H VAL A 3 -5.650 -1.864 -0.201 1.00 4.46 H new ATOM 0 HA VAL A 3 -8.034 -2.925 -1.452 1.00 4.34 H new ATOM 0 HB VAL A 3 -7.830 -0.153 -0.291 1.00 5.24 H new ATOM 0 HG11 VAL A 3 -10.111 -0.691 0.485 1.00 6.05 H new ATOM 0 HG12 VAL A 3 -9.945 -0.899 -1.275 1.00 6.05 H new ATOM 0 HG13 VAL A 3 -9.955 -2.323 -0.207 1.00 6.05 H new ATOM 0 HG21 VAL A 3 -8.184 -1.051 1.972 1.00 5.84 H new ATOM 0 HG22 VAL A 3 -7.950 -2.702 1.349 1.00 5.84 H new ATOM 0 HG23 VAL A 3 -6.606 -1.536 1.305 1.00 5.84 H new ATOM 43 N THR A 4 -7.302 -1.880 -3.693 1.00 2.94 N ATOM 44 CA THR A 4 -7.357 -1.213 -4.987 1.00 2.60 C ATOM 45 C THR A 4 -8.775 -0.723 -5.269 1.00 2.42 C ATOM 46 O THR A 4 -8.987 0.164 -6.100 1.00 3.09 O ATOM 47 CB THR A 4 -6.904 -2.158 -6.114 1.00 2.97 C ATOM 48 OG1 THR A 4 -6.251 -3.306 -5.548 1.00 3.36 O ATOM 49 CG2 THR A 4 -5.955 -1.445 -7.069 1.00 3.59 C ATOM 0 H THR A 4 -7.204 -2.894 -3.746 1.00 2.94 H new ATOM 0 HA THR A 4 -6.679 -0.360 -4.954 1.00 2.60 H new ATOM 0 HB THR A 4 -7.783 -2.476 -6.675 1.00 2.97 H new ATOM 0 HG1 THR A 4 -5.965 -3.907 -6.267 1.00 3.36 H new ATOM 0 HG21 THR A 4 -5.648 -2.132 -7.857 1.00 3.59 H new ATOM 0 HG22 THR A 4 -6.461 -0.587 -7.512 1.00 3.59 H new ATOM 0 HG23 THR A 4 -5.076 -1.105 -6.522 1.00 3.59 H new ATOM 57 N GLU A 5 -9.732 -1.324 -4.561 1.00 2.01 N ATOM 58 CA GLU A 5 -11.134 -0.918 -4.615 1.00 1.95 C ATOM 59 C GLU A 5 -11.683 -0.952 -6.042 1.00 2.02 C ATOM 60 O GLU A 5 -11.288 -1.798 -6.849 1.00 2.45 O ATOM 61 CB GLU A 5 -11.304 0.473 -4.000 1.00 2.25 C ATOM 62 CG GLU A 5 -12.049 0.462 -2.674 1.00 2.50 C ATOM 63 CD GLU A 5 -12.148 1.837 -2.043 1.00 3.01 C ATOM 64 OE1 GLU A 5 -12.327 2.825 -2.784 1.00 3.44 O ATOM 65 OE2 GLU A 5 -12.050 1.935 -0.800 1.00 3.47 O ATOM 0 H GLU A 5 -9.555 -2.108 -3.933 1.00 2.01 H new ATOM 0 HA GLU A 5 -11.711 -1.636 -4.032 1.00 1.95 H new ATOM 0 HB2 GLU A 5 -10.320 0.919 -3.852 1.00 2.25 H new ATOM 0 HB3 GLU A 5 -11.840 1.110 -4.704 1.00 2.25 H new ATOM 0 HG2 GLU A 5 -13.052 0.066 -2.830 1.00 2.50 H new ATOM 0 HG3 GLU A 5 -11.543 -0.214 -1.984 1.00 2.50 H new ATOM 72 N ALA A 6 -12.592 -0.033 -6.350 1.00 1.93 N ATOM 73 CA ALA A 6 -13.230 0.005 -7.654 1.00 2.21 C ATOM 74 C ALA A 6 -13.676 1.419 -8.004 1.00 1.87 C ATOM 75 O ALA A 6 -14.826 1.794 -7.777 1.00 2.34 O ATOM 76 CB ALA A 6 -14.416 -0.953 -7.690 1.00 3.01 C ATOM 0 H ALA A 6 -12.902 0.697 -5.709 1.00 1.93 H new ATOM 0 HA ALA A 6 -12.500 -0.312 -8.399 1.00 2.21 H new ATOM 0 HB1 ALA A 6 -14.885 -0.915 -8.673 1.00 3.01 H new ATOM 0 HB2 ALA A 6 -14.070 -1.968 -7.492 1.00 3.01 H new ATOM 0 HB3 ALA A 6 -15.142 -0.662 -6.930 1.00 3.01 H new ATOM 82 N GLN A 7 -12.756 2.210 -8.536 1.00 1.57 N ATOM 83 CA GLN A 7 -13.086 3.546 -9.009 1.00 1.65 C ATOM 84 C GLN A 7 -13.436 3.505 -10.493 1.00 1.53 C ATOM 85 O GLN A 7 -13.911 4.488 -11.060 1.00 1.80 O ATOM 86 CB GLN A 7 -11.922 4.509 -8.764 1.00 2.14 C ATOM 87 CG GLN A 7 -12.363 5.915 -8.384 1.00 2.64 C ATOM 88 CD GLN A 7 -12.946 5.987 -6.986 1.00 3.04 C ATOM 89 OE1 GLN A 7 -12.238 5.816 -5.994 1.00 3.51 O ATOM 90 NE2 GLN A 7 -14.243 6.232 -6.895 1.00 3.49 N ATOM 0 H GLN A 7 -11.776 1.950 -8.651 1.00 1.57 H new ATOM 0 HA GLN A 7 -13.951 3.906 -8.452 1.00 1.65 H new ATOM 0 HB2 GLN A 7 -11.291 4.108 -7.971 1.00 2.14 H new ATOM 0 HB3 GLN A 7 -11.309 4.560 -9.664 1.00 2.14 H new ATOM 0 HG2 GLN A 7 -11.510 6.590 -8.453 1.00 2.64 H new ATOM 0 HG3 GLN A 7 -13.105 6.265 -9.101 1.00 2.64 H new ATOM 0 HE21 GLN A 7 -14.797 6.368 -7.741 1.00 3.49 H new ATOM 0 HE22 GLN A 7 -14.689 6.285 -5.979 1.00 3.49 H new ATOM 99 N TYR A 8 -13.191 2.357 -11.114 1.00 1.48 N ATOM 100 CA TYR A 8 -13.503 2.161 -12.524 1.00 1.47 C ATOM 101 C TYR A 8 -14.910 1.583 -12.674 1.00 1.56 C ATOM 102 O TYR A 8 -15.751 2.158 -13.367 1.00 2.27 O ATOM 103 CB TYR A 8 -12.453 1.242 -13.169 1.00 1.61 C ATOM 104 CG TYR A 8 -12.918 0.526 -14.420 1.00 1.62 C ATOM 105 CD1 TYR A 8 -13.158 1.222 -15.598 1.00 1.71 C ATOM 106 CD2 TYR A 8 -13.118 -0.849 -14.419 1.00 1.79 C ATOM 107 CE1 TYR A 8 -13.583 0.566 -16.739 1.00 1.89 C ATOM 108 CE2 TYR A 8 -13.542 -1.510 -15.555 1.00 2.00 C ATOM 109 CZ TYR A 8 -13.775 -0.799 -16.711 1.00 2.01 C ATOM 110 OH TYR A 8 -14.201 -1.455 -17.845 1.00 2.32 O ATOM 0 H TYR A 8 -12.775 1.544 -10.660 1.00 1.48 H new ATOM 0 HA TYR A 8 -13.476 3.122 -13.038 1.00 1.47 H new ATOM 0 HB2 TYR A 8 -11.572 1.836 -13.413 1.00 1.61 H new ATOM 0 HB3 TYR A 8 -12.142 0.498 -12.436 1.00 1.61 H new ATOM 0 HD1 TYR A 8 -13.010 2.292 -15.623 1.00 1.71 H new ATOM 0 HD2 TYR A 8 -12.939 -1.411 -13.514 1.00 1.79 H new ATOM 0 HE1 TYR A 8 -13.764 1.121 -17.648 1.00 1.89 H new ATOM 0 HE2 TYR A 8 -13.690 -2.580 -15.537 1.00 2.00 H new ATOM 0 HH TYR A 8 -14.285 -2.413 -17.657 1.00 2.32 H new ATOM 120 N VAL A 9 -15.154 0.456 -11.999 1.00 1.35 N ATOM 121 CA VAL A 9 -16.456 -0.217 -12.010 1.00 1.47 C ATOM 122 C VAL A 9 -16.896 -0.561 -13.437 1.00 1.51 C ATOM 123 O VAL A 9 -16.437 -1.549 -14.008 1.00 2.13 O ATOM 124 CB VAL A 9 -17.560 0.623 -11.314 1.00 1.74 C ATOM 125 CG1 VAL A 9 -18.702 -0.272 -10.856 1.00 2.00 C ATOM 126 CG2 VAL A 9 -16.996 1.400 -10.129 1.00 2.05 C ATOM 0 H VAL A 9 -14.453 -0.016 -11.428 1.00 1.35 H new ATOM 0 HA VAL A 9 -16.325 -1.140 -11.445 1.00 1.47 H new ATOM 0 HB VAL A 9 -17.942 1.339 -12.041 1.00 1.74 H new ATOM 0 HG11 VAL A 9 -19.467 0.334 -10.370 1.00 2.00 H new ATOM 0 HG12 VAL A 9 -19.135 -0.780 -11.718 1.00 2.00 H new ATOM 0 HG13 VAL A 9 -18.324 -1.012 -10.151 1.00 2.00 H new ATOM 0 HG21 VAL A 9 -17.792 1.979 -9.661 1.00 2.05 H new ATOM 0 HG22 VAL A 9 -16.579 0.703 -9.402 1.00 2.05 H new ATOM 0 HG23 VAL A 9 -16.213 2.074 -10.476 1.00 2.05 H new ATOM 136 N ALA A 10 -17.777 0.267 -13.991 1.00 1.41 N ATOM 137 CA ALA A 10 -18.296 0.090 -15.348 1.00 1.50 C ATOM 138 C ALA A 10 -18.963 -1.275 -15.550 1.00 1.34 C ATOM 139 O ALA A 10 -18.483 -2.101 -16.329 1.00 1.73 O ATOM 140 CB ALA A 10 -17.191 0.300 -16.376 1.00 2.09 C ATOM 0 H ALA A 10 -18.154 1.084 -13.511 1.00 1.41 H new ATOM 0 HA ALA A 10 -19.067 0.846 -15.492 1.00 1.50 H new ATOM 0 HB1 ALA A 10 -17.596 0.164 -17.379 1.00 2.09 H new ATOM 0 HB2 ALA A 10 -16.792 1.310 -16.280 1.00 2.09 H new ATOM 0 HB3 ALA A 10 -16.394 -0.423 -16.206 1.00 2.09 H new ATOM 146 N PRO A 11 -20.086 -1.534 -14.859 1.00 1.24 N ATOM 147 CA PRO A 11 -20.846 -2.761 -15.033 1.00 1.52 C ATOM 148 C PRO A 11 -21.893 -2.620 -16.137 1.00 1.50 C ATOM 149 O PRO A 11 -22.496 -1.558 -16.300 1.00 1.83 O ATOM 150 CB PRO A 11 -21.507 -2.940 -13.667 1.00 1.87 C ATOM 151 CG PRO A 11 -21.665 -1.557 -13.113 1.00 1.88 C ATOM 152 CD PRO A 11 -20.711 -0.652 -13.860 1.00 1.45 C ATOM 0 HA PRO A 11 -20.230 -3.609 -15.334 1.00 1.52 H new ATOM 0 HB2 PRO A 11 -22.472 -3.438 -13.761 1.00 1.87 H new ATOM 0 HB3 PRO A 11 -20.892 -3.557 -13.012 1.00 1.87 H new ATOM 0 HG2 PRO A 11 -22.692 -1.212 -13.232 1.00 1.88 H new ATOM 0 HG3 PRO A 11 -21.447 -1.545 -12.045 1.00 1.88 H new ATOM 0 HD2 PRO A 11 -21.237 0.177 -14.334 1.00 1.45 H new ATOM 0 HD3 PRO A 11 -19.968 -0.218 -13.191 1.00 1.45 H new ATOM 160 N THR A 12 -22.112 -3.680 -16.895 1.00 1.33 N ATOM 161 CA THR A 12 -23.057 -3.626 -17.999 1.00 1.44 C ATOM 162 C THR A 12 -24.326 -4.409 -17.681 1.00 1.40 C ATOM 163 O THR A 12 -25.425 -4.026 -18.090 1.00 1.90 O ATOM 164 CB THR A 12 -22.427 -4.167 -19.293 1.00 1.69 C ATOM 165 OG1 THR A 12 -21.198 -4.847 -19.000 1.00 1.79 O ATOM 166 CG2 THR A 12 -22.151 -3.036 -20.273 1.00 2.04 C ATOM 0 H THR A 12 -21.653 -4.582 -16.769 1.00 1.33 H new ATOM 0 HA THR A 12 -23.321 -2.579 -18.145 1.00 1.44 H new ATOM 0 HB THR A 12 -23.133 -4.865 -19.744 1.00 1.69 H new ATOM 0 HG1 THR A 12 -21.378 -5.607 -18.409 1.00 1.79 H new ATOM 0 HG21 THR A 12 -21.705 -3.442 -21.181 1.00 2.04 H new ATOM 0 HG22 THR A 12 -23.086 -2.533 -20.521 1.00 2.04 H new ATOM 0 HG23 THR A 12 -21.464 -2.321 -19.820 1.00 2.04 H new ATOM 174 N ASN A 13 -24.174 -5.500 -16.948 1.00 1.11 N ATOM 175 CA ASN A 13 -25.311 -6.333 -16.584 1.00 1.23 C ATOM 176 C ASN A 13 -25.352 -6.563 -15.079 1.00 1.03 C ATOM 177 O ASN A 13 -24.312 -6.561 -14.413 1.00 1.32 O ATOM 178 CB ASN A 13 -25.244 -7.675 -17.318 1.00 1.71 C ATOM 179 CG ASN A 13 -26.601 -8.336 -17.435 1.00 1.80 C ATOM 180 OD1 ASN A 13 -27.064 -8.994 -16.504 1.00 2.19 O ATOM 181 ND2 ASN A 13 -27.249 -8.164 -18.578 1.00 2.24 N ATOM 0 H ASN A 13 -23.276 -5.830 -16.593 1.00 1.11 H new ATOM 0 HA ASN A 13 -26.222 -5.813 -16.879 1.00 1.23 H new ATOM 0 HB2 ASN A 13 -24.831 -7.521 -18.315 1.00 1.71 H new ATOM 0 HB3 ASN A 13 -24.562 -8.342 -16.790 1.00 1.71 H new ATOM 0 HD21 ASN A 13 -28.168 -8.585 -18.711 1.00 2.24 H new ATOM 0 HD22 ASN A 13 -26.828 -7.611 -19.324 1.00 2.24 H new ATOM 188 N ALA A 14 -26.553 -6.758 -14.550 1.00 1.04 N ATOM 189 CA ALA A 14 -26.738 -6.987 -13.123 1.00 1.05 C ATOM 190 C ALA A 14 -26.115 -8.309 -12.689 1.00 0.96 C ATOM 191 O ALA A 14 -25.714 -8.457 -11.541 1.00 0.91 O ATOM 192 CB ALA A 14 -28.219 -6.961 -12.768 1.00 1.42 C ATOM 0 H ALA A 14 -27.418 -6.762 -15.091 1.00 1.04 H new ATOM 0 HA ALA A 14 -26.232 -6.184 -12.588 1.00 1.05 H new ATOM 0 HB1 ALA A 14 -28.340 -7.134 -11.699 1.00 1.42 H new ATOM 0 HB2 ALA A 14 -28.639 -5.989 -13.028 1.00 1.42 H new ATOM 0 HB3 ALA A 14 -28.740 -7.741 -13.323 1.00 1.42 H new ATOM 198 N VAL A 15 -26.032 -9.259 -13.616 1.00 1.05 N ATOM 199 CA VAL A 15 -25.432 -10.558 -13.326 1.00 1.12 C ATOM 200 C VAL A 15 -23.998 -10.392 -12.826 1.00 0.97 C ATOM 201 O VAL A 15 -23.598 -11.009 -11.836 1.00 0.96 O ATOM 202 CB VAL A 15 -25.440 -11.472 -14.574 1.00 1.38 C ATOM 203 CG1 VAL A 15 -24.624 -12.737 -14.336 1.00 1.45 C ATOM 204 CG2 VAL A 15 -26.864 -11.828 -14.968 1.00 1.99 C ATOM 0 H VAL A 15 -26.372 -9.154 -14.572 1.00 1.05 H new ATOM 0 HA VAL A 15 -26.033 -11.027 -12.546 1.00 1.12 H new ATOM 0 HB VAL A 15 -24.978 -10.921 -15.393 1.00 1.38 H new ATOM 0 HG11 VAL A 15 -24.648 -13.359 -15.231 1.00 1.45 H new ATOM 0 HG12 VAL A 15 -23.592 -12.467 -14.109 1.00 1.45 H new ATOM 0 HG13 VAL A 15 -25.047 -13.290 -13.497 1.00 1.45 H new ATOM 0 HG21 VAL A 15 -26.848 -12.471 -15.848 1.00 1.99 H new ATOM 0 HG22 VAL A 15 -27.349 -12.352 -14.144 1.00 1.99 H new ATOM 0 HG23 VAL A 15 -27.417 -10.917 -15.195 1.00 1.99 H new ATOM 214 N GLU A 16 -23.237 -9.537 -13.502 1.00 0.95 N ATOM 215 CA GLU A 16 -21.841 -9.303 -13.149 1.00 0.94 C ATOM 216 C GLU A 16 -21.731 -8.641 -11.779 1.00 0.83 C ATOM 217 O GLU A 16 -20.896 -9.018 -10.956 1.00 0.86 O ATOM 218 CB GLU A 16 -21.156 -8.420 -14.199 1.00 1.06 C ATOM 219 CG GLU A 16 -21.882 -8.376 -15.534 1.00 1.37 C ATOM 220 CD GLU A 16 -21.146 -7.554 -16.574 1.00 1.45 C ATOM 221 OE1 GLU A 16 -20.175 -8.073 -17.161 1.00 1.93 O ATOM 222 OE2 GLU A 16 -21.549 -6.392 -16.819 1.00 1.53 O ATOM 0 H GLU A 16 -23.565 -8.993 -14.300 1.00 0.95 H new ATOM 0 HA GLU A 16 -21.342 -10.271 -13.116 1.00 0.94 H new ATOM 0 HB2 GLU A 16 -21.072 -7.406 -13.808 1.00 1.06 H new ATOM 0 HB3 GLU A 16 -20.141 -8.784 -14.360 1.00 1.06 H new ATOM 0 HG2 GLU A 16 -22.012 -9.392 -15.906 1.00 1.37 H new ATOM 0 HG3 GLU A 16 -22.879 -7.960 -15.387 1.00 1.37 H new ATOM 229 N SER A 17 -22.591 -7.660 -11.536 1.00 0.83 N ATOM 230 CA SER A 17 -22.552 -6.901 -10.296 1.00 0.89 C ATOM 231 C SER A 17 -22.992 -7.758 -9.109 1.00 0.85 C ATOM 232 O SER A 17 -22.359 -7.739 -8.057 1.00 0.88 O ATOM 233 CB SER A 17 -23.433 -5.657 -10.421 1.00 1.09 C ATOM 234 OG SER A 17 -23.392 -5.139 -11.745 1.00 1.48 O ATOM 0 H SER A 17 -23.325 -7.372 -12.184 1.00 0.83 H new ATOM 0 HA SER A 17 -21.523 -6.590 -10.114 1.00 0.89 H new ATOM 0 HB2 SER A 17 -24.460 -5.905 -10.155 1.00 1.09 H new ATOM 0 HB3 SER A 17 -23.097 -4.896 -9.717 1.00 1.09 H new ATOM 0 HG SER A 17 -23.963 -4.345 -11.803 1.00 1.48 H new ATOM 240 N LYS A 18 -24.062 -8.520 -9.289 1.00 0.85 N ATOM 241 CA LYS A 18 -24.591 -9.361 -8.225 1.00 0.92 C ATOM 242 C LYS A 18 -23.630 -10.499 -7.891 1.00 0.84 C ATOM 243 O LYS A 18 -23.433 -10.827 -6.720 1.00 0.85 O ATOM 244 CB LYS A 18 -25.958 -9.922 -8.620 1.00 1.07 C ATOM 245 CG LYS A 18 -26.884 -10.182 -7.438 1.00 1.38 C ATOM 246 CD LYS A 18 -26.797 -9.079 -6.391 1.00 1.76 C ATOM 247 CE LYS A 18 -26.486 -9.647 -5.014 1.00 2.42 C ATOM 248 NZ LYS A 18 -26.767 -8.671 -3.926 1.00 2.96 N ATOM 0 H LYS A 18 -24.582 -8.573 -10.165 1.00 0.85 H new ATOM 0 HA LYS A 18 -24.706 -8.743 -7.334 1.00 0.92 H new ATOM 0 HB2 LYS A 18 -26.443 -9.224 -9.302 1.00 1.07 H new ATOM 0 HB3 LYS A 18 -25.813 -10.853 -9.167 1.00 1.07 H new ATOM 0 HG2 LYS A 18 -27.911 -10.264 -7.793 1.00 1.38 H new ATOM 0 HG3 LYS A 18 -26.628 -11.137 -6.980 1.00 1.38 H new ATOM 0 HD2 LYS A 18 -26.024 -8.365 -6.675 1.00 1.76 H new ATOM 0 HD3 LYS A 18 -27.739 -8.532 -6.357 1.00 1.76 H new ATOM 0 HE2 LYS A 18 -27.077 -10.548 -4.853 1.00 2.42 H new ATOM 0 HE3 LYS A 18 -25.438 -9.942 -4.973 1.00 2.42 H new ATOM 0 HZ1 LYS A 18 -27.071 -9.181 -3.072 1.00 2.96 H new ATOM 0 HZ2 LYS A 18 -25.906 -8.127 -3.716 1.00 2.96 H new ATOM 0 HZ3 LYS A 18 -27.521 -8.022 -4.228 1.00 2.96 H new ATOM 262 N LEU A 19 -23.028 -11.092 -8.920 1.00 0.82 N ATOM 263 CA LEU A 19 -22.053 -12.158 -8.721 1.00 0.84 C ATOM 264 C LEU A 19 -20.869 -11.644 -7.916 1.00 0.80 C ATOM 265 O LEU A 19 -20.423 -12.291 -6.971 1.00 0.82 O ATOM 266 CB LEU A 19 -21.571 -12.704 -10.066 1.00 0.96 C ATOM 267 CG LEU A 19 -21.115 -14.165 -10.046 1.00 1.16 C ATOM 268 CD1 LEU A 19 -22.245 -15.087 -10.476 1.00 1.73 C ATOM 269 CD2 LEU A 19 -19.900 -14.355 -10.941 1.00 1.81 C ATOM 0 H LEU A 19 -23.199 -10.852 -9.897 1.00 0.82 H new ATOM 0 HA LEU A 19 -22.535 -12.965 -8.169 1.00 0.84 H new ATOM 0 HB2 LEU A 19 -22.377 -12.601 -10.793 1.00 0.96 H new ATOM 0 HB3 LEU A 19 -20.744 -12.086 -10.417 1.00 0.96 H new ATOM 0 HG LEU A 19 -20.835 -14.423 -9.025 1.00 1.16 H new ATOM 0 HD11 LEU A 19 -21.899 -16.121 -10.455 1.00 1.73 H new ATOM 0 HD12 LEU A 19 -23.088 -14.972 -9.794 1.00 1.73 H new ATOM 0 HD13 LEU A 19 -22.559 -14.830 -11.488 1.00 1.73 H new ATOM 0 HD21 LEU A 19 -19.589 -15.399 -10.915 1.00 1.81 H new ATOM 0 HD22 LEU A 19 -20.155 -14.077 -11.964 1.00 1.81 H new ATOM 0 HD23 LEU A 19 -19.085 -13.725 -10.586 1.00 1.81 H new ATOM 281 N ALA A 20 -20.385 -10.461 -8.281 1.00 0.82 N ATOM 282 CA ALA A 20 -19.266 -9.842 -7.584 1.00 0.91 C ATOM 283 C ALA A 20 -19.649 -9.481 -6.153 1.00 0.84 C ATOM 284 O ALA A 20 -18.839 -9.611 -5.237 1.00 0.87 O ATOM 285 CB ALA A 20 -18.791 -8.606 -8.337 1.00 1.08 C ATOM 0 H ALA A 20 -20.752 -9.912 -9.058 1.00 0.82 H new ATOM 0 HA ALA A 20 -18.448 -10.562 -7.544 1.00 0.91 H new ATOM 0 HB1 ALA A 20 -17.954 -8.154 -7.804 1.00 1.08 H new ATOM 0 HB2 ALA A 20 -18.471 -8.891 -9.339 1.00 1.08 H new ATOM 0 HB3 ALA A 20 -19.607 -7.887 -8.407 1.00 1.08 H new ATOM 291 N GLU A 21 -20.886 -9.035 -5.969 1.00 0.85 N ATOM 292 CA GLU A 21 -21.387 -8.664 -4.650 1.00 0.94 C ATOM 293 C GLU A 21 -21.306 -9.844 -3.686 1.00 0.84 C ATOM 294 O GLU A 21 -20.829 -9.705 -2.558 1.00 0.85 O ATOM 295 CB GLU A 21 -22.833 -8.181 -4.751 1.00 1.13 C ATOM 296 CG GLU A 21 -22.957 -6.690 -4.999 1.00 1.72 C ATOM 297 CD GLU A 21 -24.007 -6.043 -4.121 1.00 2.05 C ATOM 298 OE1 GLU A 21 -25.101 -6.624 -3.969 1.00 2.14 O ATOM 299 OE2 GLU A 21 -23.739 -4.955 -3.568 1.00 2.69 O ATOM 0 H GLU A 21 -21.565 -8.921 -6.722 1.00 0.85 H new ATOM 0 HA GLU A 21 -20.763 -7.857 -4.266 1.00 0.94 H new ATOM 0 HB2 GLU A 21 -23.332 -8.718 -5.558 1.00 1.13 H new ATOM 0 HB3 GLU A 21 -23.357 -8.433 -3.829 1.00 1.13 H new ATOM 0 HG2 GLU A 21 -21.993 -6.213 -4.819 1.00 1.72 H new ATOM 0 HG3 GLU A 21 -23.207 -6.518 -6.046 1.00 1.72 H new ATOM 306 N ILE A 22 -21.770 -11.002 -4.134 1.00 0.83 N ATOM 307 CA ILE A 22 -21.740 -12.201 -3.307 1.00 0.91 C ATOM 308 C ILE A 22 -20.313 -12.722 -3.155 1.00 0.82 C ATOM 309 O ILE A 22 -19.850 -12.972 -2.043 1.00 0.86 O ATOM 310 CB ILE A 22 -22.635 -13.316 -3.892 1.00 1.09 C ATOM 311 CG1 ILE A 22 -24.061 -12.802 -4.097 1.00 1.25 C ATOM 312 CG2 ILE A 22 -22.641 -14.537 -2.977 1.00 1.40 C ATOM 313 CD1 ILE A 22 -24.800 -13.495 -5.221 1.00 1.91 C ATOM 0 H ILE A 22 -22.171 -11.137 -5.062 1.00 0.83 H new ATOM 0 HA ILE A 22 -22.127 -11.923 -2.327 1.00 0.91 H new ATOM 0 HB ILE A 22 -22.226 -13.611 -4.859 1.00 1.09 H new ATOM 0 HG12 ILE A 22 -24.621 -12.931 -3.171 1.00 1.25 H new ATOM 0 HG13 ILE A 22 -24.026 -11.732 -4.302 1.00 1.25 H new ATOM 0 HG21 ILE A 22 -23.277 -15.311 -3.407 1.00 1.40 H new ATOM 0 HG22 ILE A 22 -21.625 -14.919 -2.873 1.00 1.40 H new ATOM 0 HG23 ILE A 22 -23.025 -14.255 -1.997 1.00 1.40 H new ATOM 0 HD11 ILE A 22 -25.804 -13.079 -5.308 1.00 1.91 H new ATOM 0 HD12 ILE A 22 -24.263 -13.344 -6.157 1.00 1.91 H new ATOM 0 HD13 ILE A 22 -24.867 -14.562 -5.009 1.00 1.91 H new ATOM 325 N TRP A 23 -19.618 -12.851 -4.282 1.00 0.79 N ATOM 326 CA TRP A 23 -18.269 -13.410 -4.311 1.00 0.84 C ATOM 327 C TRP A 23 -17.321 -12.637 -3.400 1.00 0.82 C ATOM 328 O TRP A 23 -16.652 -13.219 -2.544 1.00 0.94 O ATOM 329 CB TRP A 23 -17.727 -13.404 -5.741 1.00 0.90 C ATOM 330 CG TRP A 23 -17.683 -14.760 -6.367 1.00 0.98 C ATOM 331 CD1 TRP A 23 -18.564 -15.269 -7.272 1.00 1.26 C ATOM 332 CD2 TRP A 23 -16.705 -15.776 -6.134 1.00 0.95 C ATOM 333 NE1 TRP A 23 -18.194 -16.546 -7.620 1.00 1.33 N ATOM 334 CE2 TRP A 23 -17.054 -16.878 -6.933 1.00 1.14 C ATOM 335 CE3 TRP A 23 -15.565 -15.861 -5.326 1.00 0.97 C ATOM 336 CZ2 TRP A 23 -16.307 -18.050 -6.949 1.00 1.24 C ATOM 337 CZ3 TRP A 23 -14.822 -17.025 -5.346 1.00 1.16 C ATOM 338 CH2 TRP A 23 -15.197 -18.107 -6.152 1.00 1.24 C ATOM 0 H TRP A 23 -19.972 -12.572 -5.197 1.00 0.79 H new ATOM 0 HA TRP A 23 -18.329 -14.435 -3.946 1.00 0.84 H new ATOM 0 HB2 TRP A 23 -18.347 -12.750 -6.354 1.00 0.90 H new ATOM 0 HB3 TRP A 23 -16.723 -12.981 -5.739 1.00 0.90 H new ATOM 0 HD1 TRP A 23 -19.426 -14.746 -7.659 1.00 1.26 H new ATOM 0 HE1 TRP A 23 -18.686 -17.148 -8.280 1.00 1.33 H new ATOM 0 HE3 TRP A 23 -15.272 -15.032 -4.699 1.00 0.97 H new ATOM 0 HZ2 TRP A 23 -16.593 -18.887 -7.569 1.00 1.24 H new ATOM 0 HZ3 TRP A 23 -13.938 -17.102 -4.730 1.00 1.16 H new ATOM 0 HH2 TRP A 23 -14.597 -19.005 -6.144 1.00 1.24 H new ATOM 349 N GLU A 24 -17.278 -11.324 -3.582 1.00 0.80 N ATOM 350 CA GLU A 24 -16.377 -10.478 -2.814 1.00 0.93 C ATOM 351 C GLU A 24 -16.713 -10.528 -1.330 1.00 0.90 C ATOM 352 O GLU A 24 -15.828 -10.675 -0.498 1.00 1.04 O ATOM 353 CB GLU A 24 -16.430 -9.034 -3.311 1.00 1.20 C ATOM 354 CG GLU A 24 -15.060 -8.393 -3.461 1.00 1.75 C ATOM 355 CD GLU A 24 -14.525 -7.837 -2.157 1.00 2.29 C ATOM 356 OE1 GLU A 24 -15.330 -7.582 -1.233 1.00 2.78 O ATOM 357 OE2 GLU A 24 -13.295 -7.654 -2.045 1.00 2.65 O ATOM 0 H GLU A 24 -17.857 -10.822 -4.255 1.00 0.80 H new ATOM 0 HA GLU A 24 -15.366 -10.860 -2.955 1.00 0.93 H new ATOM 0 HB2 GLU A 24 -16.942 -9.008 -4.273 1.00 1.20 H new ATOM 0 HB3 GLU A 24 -17.026 -8.441 -2.617 1.00 1.20 H new ATOM 0 HG2 GLU A 24 -14.359 -9.132 -3.850 1.00 1.75 H new ATOM 0 HG3 GLU A 24 -15.118 -7.590 -4.196 1.00 1.75 H new ATOM 364 N ARG A 25 -17.993 -10.445 -0.998 1.00 0.97 N ATOM 365 CA ARG A 25 -18.409 -10.409 0.402 1.00 1.16 C ATOM 366 C ARG A 25 -18.262 -11.772 1.077 1.00 1.21 C ATOM 367 O ARG A 25 -18.520 -11.909 2.274 1.00 1.50 O ATOM 368 CB ARG A 25 -19.850 -9.918 0.520 1.00 1.41 C ATOM 369 CG ARG A 25 -19.982 -8.403 0.490 1.00 1.99 C ATOM 370 CD ARG A 25 -18.828 -7.725 1.212 1.00 2.67 C ATOM 371 NE ARG A 25 -17.857 -7.151 0.277 1.00 3.12 N ATOM 372 CZ ARG A 25 -17.975 -5.950 -0.281 1.00 3.67 C ATOM 373 NH1 ARG A 25 -19.020 -5.179 -0.004 1.00 3.90 N ATOM 374 NH2 ARG A 25 -17.040 -5.522 -1.114 1.00 4.40 N ATOM 0 H ARG A 25 -18.758 -10.401 -1.671 1.00 0.97 H new ATOM 0 HA ARG A 25 -17.749 -9.711 0.917 1.00 1.16 H new ATOM 0 HB2 ARG A 25 -20.437 -10.342 -0.295 1.00 1.41 H new ATOM 0 HB3 ARG A 25 -20.278 -10.293 1.450 1.00 1.41 H new ATOM 0 HG2 ARG A 25 -20.016 -8.061 -0.544 1.00 1.99 H new ATOM 0 HG3 ARG A 25 -20.924 -8.110 0.954 1.00 1.99 H new ATOM 0 HD2 ARG A 25 -19.217 -6.939 1.859 1.00 2.67 H new ATOM 0 HD3 ARG A 25 -18.328 -8.449 1.855 1.00 2.67 H new ATOM 0 HE ARG A 25 -17.037 -7.709 0.039 1.00 3.12 H new ATOM 0 HH11 ARG A 25 -19.739 -5.507 0.641 1.00 3.90 H new ATOM 0 HH12 ARG A 25 -19.104 -4.259 -0.436 1.00 3.90 H new ATOM 0 HH21 ARG A 25 -16.235 -6.112 -1.324 1.00 4.40 H new ATOM 0 HH22 ARG A 25 -17.124 -4.602 -1.546 1.00 4.40 H new ATOM 388 N VAL A 26 -17.851 -12.771 0.312 1.00 1.11 N ATOM 389 CA VAL A 26 -17.651 -14.105 0.853 1.00 1.34 C ATOM 390 C VAL A 26 -16.161 -14.431 0.989 1.00 1.36 C ATOM 391 O VAL A 26 -15.725 -14.945 2.022 1.00 1.78 O ATOM 392 CB VAL A 26 -18.355 -15.169 -0.026 1.00 1.54 C ATOM 393 CG1 VAL A 26 -17.738 -16.548 0.163 1.00 2.01 C ATOM 394 CG2 VAL A 26 -19.842 -15.214 0.285 1.00 1.66 C ATOM 0 H VAL A 26 -17.650 -12.683 -0.684 1.00 1.11 H new ATOM 0 HA VAL A 26 -18.096 -14.126 1.848 1.00 1.34 H new ATOM 0 HB VAL A 26 -18.217 -14.880 -1.068 1.00 1.54 H new ATOM 0 HG11 VAL A 26 -18.257 -17.269 -0.469 1.00 2.01 H new ATOM 0 HG12 VAL A 26 -16.684 -16.516 -0.113 1.00 2.01 H new ATOM 0 HG13 VAL A 26 -17.831 -16.848 1.207 1.00 2.01 H new ATOM 0 HG21 VAL A 26 -20.322 -15.966 -0.341 1.00 1.66 H new ATOM 0 HG22 VAL A 26 -19.987 -15.469 1.335 1.00 1.66 H new ATOM 0 HG23 VAL A 26 -20.285 -14.239 0.084 1.00 1.66 H new ATOM 404 N LEU A 27 -15.379 -14.120 -0.039 1.00 1.20 N ATOM 405 CA LEU A 27 -13.977 -14.527 -0.063 1.00 1.40 C ATOM 406 C LEU A 27 -13.010 -13.340 -0.003 1.00 1.42 C ATOM 407 O LEU A 27 -11.796 -13.532 0.078 1.00 1.89 O ATOM 408 CB LEU A 27 -13.697 -15.357 -1.317 1.00 1.51 C ATOM 409 CG LEU A 27 -13.099 -16.740 -1.063 1.00 2.02 C ATOM 410 CD1 LEU A 27 -14.127 -17.653 -0.417 1.00 2.17 C ATOM 411 CD2 LEU A 27 -12.600 -17.344 -2.362 1.00 2.85 C ATOM 0 H LEU A 27 -15.686 -13.594 -0.857 1.00 1.20 H new ATOM 0 HA LEU A 27 -13.806 -15.125 0.832 1.00 1.40 H new ATOM 0 HB2 LEU A 27 -14.629 -15.478 -1.869 1.00 1.51 H new ATOM 0 HB3 LEU A 27 -13.017 -14.797 -1.959 1.00 1.51 H new ATOM 0 HG LEU A 27 -12.255 -16.633 -0.381 1.00 2.02 H new ATOM 0 HD11 LEU A 27 -13.684 -18.634 -0.243 1.00 2.17 H new ATOM 0 HD12 LEU A 27 -14.447 -17.226 0.533 1.00 2.17 H new ATOM 0 HD13 LEU A 27 -14.988 -17.756 -1.077 1.00 2.17 H new ATOM 0 HD21 LEU A 27 -12.177 -18.329 -2.166 1.00 2.85 H new ATOM 0 HD22 LEU A 27 -13.430 -17.439 -3.062 1.00 2.85 H new ATOM 0 HD23 LEU A 27 -11.834 -16.699 -2.793 1.00 2.85 H new ATOM 423 N GLY A 28 -13.537 -12.125 -0.033 1.00 1.29 N ATOM 424 CA GLY A 28 -12.673 -10.956 -0.047 1.00 1.52 C ATOM 425 C GLY A 28 -12.999 -9.968 1.055 1.00 1.37 C ATOM 426 O GLY A 28 -12.304 -9.923 2.070 1.00 1.73 O ATOM 0 H GLY A 28 -14.537 -11.925 -0.048 1.00 1.29 H new ATOM 0 HA2 GLY A 28 -11.636 -11.276 0.054 1.00 1.52 H new ATOM 0 HA3 GLY A 28 -12.760 -10.458 -1.012 1.00 1.52 H new ATOM 430 N VAL A 29 -14.054 -9.178 0.835 1.00 1.31 N ATOM 431 CA VAL A 29 -14.503 -8.136 1.762 1.00 1.31 C ATOM 432 C VAL A 29 -13.662 -6.866 1.595 1.00 1.43 C ATOM 433 O VAL A 29 -13.980 -5.811 2.144 1.00 1.90 O ATOM 434 CB VAL A 29 -14.524 -8.630 3.239 1.00 1.49 C ATOM 435 CG1 VAL A 29 -13.515 -7.898 4.117 1.00 1.78 C ATOM 436 CG2 VAL A 29 -15.923 -8.494 3.817 1.00 1.92 C ATOM 0 H VAL A 29 -14.629 -9.246 -0.005 1.00 1.31 H new ATOM 0 HA VAL A 29 -15.535 -7.891 1.509 1.00 1.31 H new ATOM 0 HB VAL A 29 -14.233 -9.681 3.230 1.00 1.49 H new ATOM 0 HG11 VAL A 29 -13.573 -8.282 5.135 1.00 1.78 H new ATOM 0 HG12 VAL A 29 -12.510 -8.056 3.726 1.00 1.78 H new ATOM 0 HG13 VAL A 29 -13.740 -6.831 4.118 1.00 1.78 H new ATOM 0 HG21 VAL A 29 -15.925 -8.842 4.850 1.00 1.92 H new ATOM 0 HG22 VAL A 29 -16.229 -7.448 3.786 1.00 1.92 H new ATOM 0 HG23 VAL A 29 -16.619 -9.094 3.230 1.00 1.92 H new ATOM 446 N SER A 30 -12.623 -6.973 0.782 1.00 1.40 N ATOM 447 CA SER A 30 -11.708 -5.874 0.529 1.00 1.56 C ATOM 448 C SER A 30 -12.392 -4.741 -0.236 1.00 1.53 C ATOM 449 O SER A 30 -12.235 -3.566 0.104 1.00 2.21 O ATOM 450 CB SER A 30 -10.518 -6.400 -0.268 1.00 1.76 C ATOM 451 OG SER A 30 -10.800 -7.691 -0.796 1.00 1.94 O ATOM 0 H SER A 30 -12.391 -7.829 0.278 1.00 1.40 H new ATOM 0 HA SER A 30 -11.373 -5.469 1.484 1.00 1.56 H new ATOM 0 HB2 SER A 30 -10.285 -5.712 -1.081 1.00 1.76 H new ATOM 0 HB3 SER A 30 -9.637 -6.447 0.372 1.00 1.76 H new ATOM 0 HG SER A 30 -11.595 -7.644 -1.367 1.00 1.94 H new ATOM 457 N GLY A 31 -13.149 -5.103 -1.262 1.00 1.30 N ATOM 458 CA GLY A 31 -13.825 -4.115 -2.077 1.00 1.27 C ATOM 459 C GLY A 31 -13.246 -4.026 -3.476 1.00 1.21 C ATOM 460 O GLY A 31 -13.360 -2.994 -4.136 1.00 1.58 O ATOM 0 H GLY A 31 -13.307 -6.070 -1.546 1.00 1.30 H new ATOM 0 HA2 GLY A 31 -14.884 -4.363 -2.140 1.00 1.27 H new ATOM 0 HA3 GLY A 31 -13.754 -3.140 -1.595 1.00 1.27 H new ATOM 464 N ILE A 32 -12.634 -5.111 -3.940 1.00 1.13 N ATOM 465 CA ILE A 32 -12.026 -5.135 -5.267 1.00 1.29 C ATOM 466 C ILE A 32 -12.757 -6.115 -6.174 1.00 1.38 C ATOM 467 O ILE A 32 -12.973 -7.269 -5.807 1.00 2.01 O ATOM 468 CB ILE A 32 -10.531 -5.524 -5.215 1.00 1.71 C ATOM 469 CG1 ILE A 32 -9.878 -5.021 -3.928 1.00 2.68 C ATOM 470 CG2 ILE A 32 -9.797 -4.976 -6.430 1.00 2.03 C ATOM 471 CD1 ILE A 32 -8.729 -5.886 -3.457 1.00 3.56 C ATOM 0 H ILE A 32 -12.546 -5.983 -3.419 1.00 1.13 H new ATOM 0 HA ILE A 32 -12.107 -4.124 -5.666 1.00 1.29 H new ATOM 0 HB ILE A 32 -10.464 -6.612 -5.227 1.00 1.71 H new ATOM 0 HG12 ILE A 32 -9.517 -4.005 -4.086 1.00 2.68 H new ATOM 0 HG13 ILE A 32 -10.632 -4.972 -3.142 1.00 2.68 H new ATOM 0 HG21 ILE A 32 -8.746 -5.259 -6.378 1.00 2.03 H new ATOM 0 HG22 ILE A 32 -10.239 -5.387 -7.338 1.00 2.03 H new ATOM 0 HG23 ILE A 32 -9.880 -3.889 -6.446 1.00 2.03 H new ATOM 0 HD11 ILE A 32 -8.313 -5.470 -2.539 1.00 3.56 H new ATOM 0 HD12 ILE A 32 -9.089 -6.897 -3.267 1.00 3.56 H new ATOM 0 HD13 ILE A 32 -7.956 -5.915 -4.225 1.00 3.56 H new ATOM 483 N GLY A 33 -13.141 -5.655 -7.356 1.00 1.59 N ATOM 484 CA GLY A 33 -13.850 -6.516 -8.280 1.00 1.93 C ATOM 485 C GLY A 33 -13.448 -6.280 -9.721 1.00 1.81 C ATOM 486 O GLY A 33 -12.637 -7.020 -10.280 1.00 2.28 O ATOM 0 H GLY A 33 -12.975 -4.706 -7.691 1.00 1.59 H new ATOM 0 HA2 GLY A 33 -13.660 -7.557 -8.019 1.00 1.93 H new ATOM 0 HA3 GLY A 33 -14.922 -6.352 -8.174 1.00 1.93 H new ATOM 490 N ILE A 34 -14.012 -5.244 -10.325 1.00 1.73 N ATOM 491 CA ILE A 34 -13.730 -4.926 -11.717 1.00 1.78 C ATOM 492 C ILE A 34 -12.642 -3.867 -11.817 1.00 1.93 C ATOM 493 O ILE A 34 -12.919 -2.670 -11.891 1.00 2.58 O ATOM 494 CB ILE A 34 -14.992 -4.443 -12.467 1.00 1.94 C ATOM 495 CG1 ILE A 34 -16.265 -4.900 -11.740 1.00 2.07 C ATOM 496 CG2 ILE A 34 -14.981 -4.959 -13.898 1.00 2.43 C ATOM 497 CD1 ILE A 34 -17.457 -4.001 -11.981 1.00 2.67 C ATOM 0 H ILE A 34 -14.669 -4.608 -9.872 1.00 1.73 H new ATOM 0 HA ILE A 34 -13.386 -5.846 -12.189 1.00 1.78 H new ATOM 0 HB ILE A 34 -14.986 -3.353 -12.488 1.00 1.94 H new ATOM 0 HG12 ILE A 34 -16.513 -5.912 -12.061 1.00 2.07 H new ATOM 0 HG13 ILE A 34 -16.065 -4.945 -10.669 1.00 2.07 H new ATOM 0 HG21 ILE A 34 -15.875 -4.612 -14.417 1.00 2.43 H new ATOM 0 HG22 ILE A 34 -14.095 -4.586 -14.412 1.00 2.43 H new ATOM 0 HG23 ILE A 34 -14.965 -6.049 -13.892 1.00 2.43 H new ATOM 0 HD11 ILE A 34 -18.319 -4.386 -11.436 1.00 2.67 H new ATOM 0 HD12 ILE A 34 -17.229 -2.993 -11.634 1.00 2.67 H new ATOM 0 HD13 ILE A 34 -17.683 -3.975 -13.047 1.00 2.67 H new ATOM 509 N LEU A 35 -11.402 -4.330 -11.793 1.00 1.70 N ATOM 510 CA LEU A 35 -10.235 -3.465 -11.888 1.00 1.89 C ATOM 511 C LEU A 35 -9.008 -4.321 -12.170 1.00 1.85 C ATOM 512 O LEU A 35 -9.057 -5.212 -13.020 1.00 2.19 O ATOM 513 CB LEU A 35 -10.040 -2.680 -10.587 1.00 2.03 C ATOM 514 CG LEU A 35 -9.811 -1.182 -10.762 1.00 1.96 C ATOM 515 CD1 LEU A 35 -11.028 -0.404 -10.296 1.00 2.44 C ATOM 516 CD2 LEU A 35 -8.567 -0.741 -10.006 1.00 2.46 C ATOM 0 H LEU A 35 -11.175 -5.321 -11.707 1.00 1.70 H new ATOM 0 HA LEU A 35 -10.381 -2.750 -12.698 1.00 1.89 H new ATOM 0 HB2 LEU A 35 -10.918 -2.826 -9.958 1.00 2.03 H new ATOM 0 HB3 LEU A 35 -9.190 -3.101 -10.051 1.00 2.03 H new ATOM 0 HG LEU A 35 -9.656 -0.975 -11.821 1.00 1.96 H new ATOM 0 HD11 LEU A 35 -10.850 0.663 -10.427 1.00 2.44 H new ATOM 0 HD12 LEU A 35 -11.897 -0.701 -10.883 1.00 2.44 H new ATOM 0 HD13 LEU A 35 -11.213 -0.614 -9.243 1.00 2.44 H new ATOM 0 HD21 LEU A 35 -8.419 0.330 -10.142 1.00 2.46 H new ATOM 0 HD22 LEU A 35 -8.690 -0.958 -8.945 1.00 2.46 H new ATOM 0 HD23 LEU A 35 -7.699 -1.278 -10.388 1.00 2.46 H new ATOM 528 N ASP A 36 -7.912 -4.053 -11.471 1.00 1.95 N ATOM 529 CA ASP A 36 -6.769 -4.952 -11.503 1.00 2.14 C ATOM 530 C ASP A 36 -7.186 -6.272 -10.879 1.00 1.49 C ATOM 531 O ASP A 36 -7.358 -6.371 -9.662 1.00 1.80 O ATOM 532 CB ASP A 36 -5.573 -4.362 -10.756 1.00 3.20 C ATOM 533 CG ASP A 36 -4.256 -4.928 -11.248 1.00 3.75 C ATOM 534 OD1 ASP A 36 -4.184 -5.352 -12.424 1.00 4.20 O ATOM 535 OD2 ASP A 36 -3.282 -4.942 -10.466 1.00 4.01 O ATOM 0 H ASP A 36 -7.792 -3.229 -10.882 1.00 1.95 H new ATOM 0 HA ASP A 36 -6.457 -5.103 -12.536 1.00 2.14 H new ATOM 0 HB2 ASP A 36 -5.569 -3.279 -10.877 1.00 3.20 H new ATOM 0 HB3 ASP A 36 -5.677 -4.563 -9.690 1.00 3.20 H new ATOM 540 N ASN A 37 -7.361 -7.274 -11.718 1.00 1.38 N ATOM 541 CA ASN A 37 -8.067 -8.480 -11.324 1.00 1.74 C ATOM 542 C ASN A 37 -7.211 -9.426 -10.499 1.00 1.40 C ATOM 543 O ASN A 37 -6.049 -9.679 -10.816 1.00 1.90 O ATOM 544 CB ASN A 37 -8.599 -9.212 -12.552 1.00 2.65 C ATOM 545 CG ASN A 37 -10.082 -9.492 -12.440 1.00 3.55 C ATOM 546 OD1 ASN A 37 -10.543 -10.094 -11.469 1.00 4.12 O ATOM 547 ND2 ASN A 37 -10.839 -9.057 -13.432 1.00 4.13 N ATOM 0 H ASN A 37 -7.023 -7.278 -12.680 1.00 1.38 H new ATOM 0 HA ASN A 37 -8.896 -8.158 -10.693 1.00 1.74 H new ATOM 0 HB2 ASN A 37 -8.408 -8.614 -13.443 1.00 2.65 H new ATOM 0 HB3 ASN A 37 -8.060 -10.151 -12.677 1.00 2.65 H new ATOM 0 HD21 ASN A 37 -11.846 -9.216 -13.412 1.00 4.13 H new ATOM 0 HD22 ASN A 37 -10.416 -8.563 -14.217 1.00 4.13 H new ATOM 554 N PHE A 38 -7.809 -9.936 -9.433 1.00 1.23 N ATOM 555 CA PHE A 38 -7.201 -10.975 -8.618 1.00 1.41 C ATOM 556 C PHE A 38 -8.124 -12.191 -8.591 1.00 1.51 C ATOM 557 O PHE A 38 -7.898 -13.152 -7.859 1.00 2.27 O ATOM 558 CB PHE A 38 -6.939 -10.459 -7.193 1.00 1.89 C ATOM 559 CG PHE A 38 -8.184 -10.247 -6.367 1.00 1.43 C ATOM 560 CD1 PHE A 38 -9.118 -9.285 -6.722 1.00 1.78 C ATOM 561 CD2 PHE A 38 -8.413 -11.007 -5.229 1.00 1.62 C ATOM 562 CE1 PHE A 38 -10.254 -9.087 -5.960 1.00 1.88 C ATOM 563 CE2 PHE A 38 -9.547 -10.812 -4.464 1.00 2.03 C ATOM 564 CZ PHE A 38 -10.468 -9.851 -4.830 1.00 1.97 C ATOM 0 H PHE A 38 -8.730 -9.641 -9.109 1.00 1.23 H new ATOM 0 HA PHE A 38 -6.242 -11.261 -9.050 1.00 1.41 H new ATOM 0 HB2 PHE A 38 -6.292 -11.168 -6.677 1.00 1.89 H new ATOM 0 HB3 PHE A 38 -6.394 -9.517 -7.255 1.00 1.89 H new ATOM 0 HD1 PHE A 38 -8.956 -8.684 -7.604 1.00 1.78 H new ATOM 0 HD2 PHE A 38 -7.696 -11.760 -4.938 1.00 1.62 H new ATOM 0 HE1 PHE A 38 -10.974 -8.335 -6.248 1.00 1.88 H new ATOM 0 HE2 PHE A 38 -9.713 -11.411 -3.581 1.00 2.03 H new ATOM 0 HZ PHE A 38 -11.355 -9.697 -4.233 1.00 1.97 H new ATOM 574 N PHE A 39 -9.167 -12.129 -9.413 1.00 1.24 N ATOM 575 CA PHE A 39 -10.181 -13.172 -9.453 1.00 1.51 C ATOM 576 C PHE A 39 -10.360 -13.695 -10.877 1.00 1.25 C ATOM 577 O PHE A 39 -10.088 -14.861 -11.158 1.00 1.22 O ATOM 578 CB PHE A 39 -11.505 -12.622 -8.907 1.00 2.01 C ATOM 579 CG PHE A 39 -12.668 -13.568 -9.027 1.00 1.77 C ATOM 580 CD1 PHE A 39 -12.604 -14.843 -8.488 1.00 1.63 C ATOM 581 CD2 PHE A 39 -13.825 -13.180 -9.681 1.00 1.94 C ATOM 582 CE1 PHE A 39 -13.673 -15.710 -8.600 1.00 1.63 C ATOM 583 CE2 PHE A 39 -14.898 -14.043 -9.797 1.00 1.93 C ATOM 584 CZ PHE A 39 -14.820 -15.311 -9.257 1.00 1.75 C ATOM 0 H PHE A 39 -9.331 -11.361 -10.064 1.00 1.24 H new ATOM 0 HA PHE A 39 -9.859 -14.005 -8.829 1.00 1.51 H new ATOM 0 HB2 PHE A 39 -11.371 -12.362 -7.857 1.00 2.01 H new ATOM 0 HB3 PHE A 39 -11.747 -11.700 -9.435 1.00 2.01 H new ATOM 0 HD1 PHE A 39 -11.709 -15.162 -7.975 1.00 1.63 H new ATOM 0 HD2 PHE A 39 -13.890 -12.189 -10.106 1.00 1.94 H new ATOM 0 HE1 PHE A 39 -13.612 -16.700 -8.174 1.00 1.63 H new ATOM 0 HE2 PHE A 39 -15.795 -13.726 -10.309 1.00 1.93 H new ATOM 0 HZ PHE A 39 -15.655 -15.990 -9.348 1.00 1.75 H new ATOM 594 N GLN A 40 -10.787 -12.815 -11.780 1.00 1.25 N ATOM 595 CA GLN A 40 -11.044 -13.194 -13.169 1.00 1.25 C ATOM 596 C GLN A 40 -9.756 -13.139 -13.990 1.00 1.28 C ATOM 597 O GLN A 40 -9.693 -12.487 -15.031 1.00 1.93 O ATOM 598 CB GLN A 40 -12.105 -12.277 -13.793 1.00 1.46 C ATOM 599 CG GLN A 40 -13.330 -12.057 -12.914 1.00 1.85 C ATOM 600 CD GLN A 40 -13.896 -10.655 -13.041 1.00 1.75 C ATOM 601 OE1 GLN A 40 -13.498 -9.769 -12.141 1.00 2.39 O flip ATOM 602 NE2 GLN A 40 -14.677 -10.365 -13.944 1.00 1.80 N flip ATOM 0 H GLN A 40 -10.963 -11.832 -11.575 1.00 1.25 H new ATOM 0 HA GLN A 40 -11.419 -14.217 -13.176 1.00 1.25 H new ATOM 0 HB2 GLN A 40 -11.651 -11.311 -14.014 1.00 1.46 H new ATOM 0 HB3 GLN A 40 -12.425 -12.703 -14.744 1.00 1.46 H new ATOM 0 HG2 GLN A 40 -14.099 -12.781 -13.182 1.00 1.85 H new ATOM 0 HG3 GLN A 40 -13.064 -12.245 -11.874 1.00 1.85 H new ATOM 0 HE21 GLN A 40 -14.961 -11.074 -14.620 1.00 1.80 H new ATOM 0 HE22 GLN A 40 -15.041 -9.415 -14.018 1.00 1.80 H new ATOM 611 N ILE A 41 -8.735 -13.832 -13.506 1.00 1.12 N ATOM 612 CA ILE A 41 -7.446 -13.897 -14.190 1.00 1.27 C ATOM 613 C ILE A 41 -6.872 -15.303 -14.085 1.00 1.35 C ATOM 614 O ILE A 41 -5.669 -15.489 -13.901 1.00 1.77 O ATOM 615 CB ILE A 41 -6.419 -12.894 -13.615 1.00 1.70 C ATOM 616 CG1 ILE A 41 -6.662 -12.672 -12.121 1.00 2.36 C ATOM 617 CG2 ILE A 41 -6.476 -11.577 -14.373 1.00 2.27 C ATOM 618 CD1 ILE A 41 -5.530 -13.156 -11.243 1.00 3.23 C ATOM 0 H ILE A 41 -8.773 -14.362 -12.635 1.00 1.12 H new ATOM 0 HA ILE A 41 -7.628 -13.633 -15.232 1.00 1.27 H new ATOM 0 HB ILE A 41 -5.421 -13.315 -13.738 1.00 1.70 H new ATOM 0 HG12 ILE A 41 -6.820 -11.609 -11.942 1.00 2.36 H new ATOM 0 HG13 ILE A 41 -7.580 -13.184 -11.831 1.00 2.36 H new ATOM 0 HG21 ILE A 41 -5.746 -10.884 -13.954 1.00 2.27 H new ATOM 0 HG22 ILE A 41 -6.248 -11.752 -15.424 1.00 2.27 H new ATOM 0 HG23 ILE A 41 -7.475 -11.149 -14.285 1.00 2.27 H new ATOM 0 HD11 ILE A 41 -5.773 -12.965 -10.198 1.00 3.23 H new ATOM 0 HD12 ILE A 41 -5.385 -14.226 -11.393 1.00 3.23 H new ATOM 0 HD13 ILE A 41 -4.614 -12.626 -11.505 1.00 3.23 H new ATOM 630 N GLY A 42 -7.746 -16.287 -14.188 1.00 1.60 N ATOM 631 CA GLY A 42 -7.340 -17.667 -14.048 1.00 1.96 C ATOM 632 C GLY A 42 -8.023 -18.321 -12.867 1.00 1.64 C ATOM 633 O GLY A 42 -8.908 -19.156 -13.039 1.00 2.06 O ATOM 0 H GLY A 42 -8.741 -16.153 -14.368 1.00 1.60 H new ATOM 0 HA2 GLY A 42 -7.581 -18.214 -14.960 1.00 1.96 H new ATOM 0 HA3 GLY A 42 -6.259 -17.720 -13.921 1.00 1.96 H new ATOM 637 N GLY A 43 -7.621 -17.929 -11.669 1.00 1.60 N ATOM 638 CA GLY A 43 -8.238 -18.457 -10.467 1.00 1.92 C ATOM 639 C GLY A 43 -7.875 -19.906 -10.211 1.00 1.62 C ATOM 640 O GLY A 43 -6.822 -20.189 -9.641 1.00 2.17 O ATOM 0 H GLY A 43 -6.876 -17.252 -11.505 1.00 1.60 H new ATOM 0 HA2 GLY A 43 -7.933 -17.854 -9.612 1.00 1.92 H new ATOM 0 HA3 GLY A 43 -9.321 -18.367 -10.550 1.00 1.92 H new ATOM 644 N HIS A 44 -8.744 -20.819 -10.659 1.00 1.25 N ATOM 645 CA HIS A 44 -8.602 -22.257 -10.399 1.00 1.22 C ATOM 646 C HIS A 44 -8.524 -22.511 -8.882 1.00 1.13 C ATOM 647 O HIS A 44 -7.875 -23.431 -8.390 1.00 1.36 O ATOM 648 CB HIS A 44 -7.420 -22.844 -11.232 1.00 1.54 C ATOM 649 CG HIS A 44 -6.177 -23.273 -10.496 1.00 1.39 C ATOM 650 ND1 HIS A 44 -5.333 -22.396 -9.851 1.00 1.94 N ATOM 651 CD2 HIS A 44 -5.624 -24.501 -10.344 1.00 1.92 C ATOM 652 CE1 HIS A 44 -4.316 -23.062 -9.340 1.00 2.26 C ATOM 653 NE2 HIS A 44 -4.466 -24.341 -9.624 1.00 2.26 N ATOM 0 H HIS A 44 -9.567 -20.582 -11.213 1.00 1.25 H new ATOM 0 HA HIS A 44 -9.484 -22.800 -10.739 1.00 1.22 H new ATOM 0 HB2 HIS A 44 -7.796 -23.706 -11.782 1.00 1.54 H new ATOM 0 HB3 HIS A 44 -7.129 -22.097 -11.970 1.00 1.54 H new ATOM 0 HD1 HIS A 44 -5.473 -21.388 -9.780 1.00 1.94 H new ATOM 0 HD2 HIS A 44 -6.021 -25.433 -10.720 1.00 1.92 H new ATOM 0 HE1 HIS A 44 -3.497 -22.632 -8.782 1.00 2.26 H new ATOM 662 N SER A 45 -9.253 -21.676 -8.151 1.00 1.01 N ATOM 663 CA SER A 45 -9.273 -21.704 -6.698 1.00 1.10 C ATOM 664 C SER A 45 -10.094 -22.881 -6.165 1.00 1.13 C ATOM 665 O SER A 45 -10.781 -23.575 -6.923 1.00 1.31 O ATOM 666 CB SER A 45 -9.851 -20.383 -6.198 1.00 1.19 C ATOM 667 OG SER A 45 -10.313 -19.596 -7.290 1.00 1.19 O ATOM 0 H SER A 45 -9.851 -20.956 -8.556 1.00 1.01 H new ATOM 0 HA SER A 45 -8.255 -21.835 -6.332 1.00 1.10 H new ATOM 0 HB2 SER A 45 -10.673 -20.577 -5.508 1.00 1.19 H new ATOM 0 HB3 SER A 45 -9.091 -19.834 -5.642 1.00 1.19 H new ATOM 0 HG SER A 45 -10.682 -18.753 -6.953 1.00 1.19 H new ATOM 673 N LEU A 46 -10.032 -23.092 -4.857 1.00 1.21 N ATOM 674 CA LEU A 46 -10.761 -24.176 -4.214 1.00 1.32 C ATOM 675 C LEU A 46 -12.173 -23.729 -3.851 1.00 1.35 C ATOM 676 O LEU A 46 -12.529 -23.635 -2.674 1.00 1.77 O ATOM 677 CB LEU A 46 -10.017 -24.630 -2.954 1.00 1.50 C ATOM 678 CG LEU A 46 -9.533 -26.078 -2.975 1.00 1.83 C ATOM 679 CD1 LEU A 46 -8.067 -26.145 -3.374 1.00 2.37 C ATOM 680 CD2 LEU A 46 -9.748 -26.728 -1.615 1.00 2.35 C ATOM 0 H LEU A 46 -9.480 -22.522 -4.217 1.00 1.21 H new ATOM 0 HA LEU A 46 -10.829 -25.011 -4.911 1.00 1.32 H new ATOM 0 HB2 LEU A 46 -9.157 -23.978 -2.804 1.00 1.50 H new ATOM 0 HB3 LEU A 46 -10.674 -24.495 -2.094 1.00 1.50 H new ATOM 0 HG LEU A 46 -10.114 -26.627 -3.716 1.00 1.83 H new ATOM 0 HD11 LEU A 46 -7.740 -27.185 -3.383 1.00 2.37 H new ATOM 0 HD12 LEU A 46 -7.940 -25.716 -4.368 1.00 2.37 H new ATOM 0 HD13 LEU A 46 -7.469 -25.583 -2.657 1.00 2.37 H new ATOM 0 HD21 LEU A 46 -9.398 -27.760 -1.646 1.00 2.35 H new ATOM 0 HD22 LEU A 46 -9.191 -26.178 -0.857 1.00 2.35 H new ATOM 0 HD23 LEU A 46 -10.809 -26.712 -1.368 1.00 2.35 H new ATOM 692 N LYS A 47 -12.977 -23.453 -4.868 1.00 1.23 N ATOM 693 CA LYS A 47 -14.344 -22.999 -4.657 1.00 1.28 C ATOM 694 C LYS A 47 -15.298 -23.761 -5.564 1.00 1.27 C ATOM 695 O LYS A 47 -14.908 -24.217 -6.640 1.00 1.27 O ATOM 696 CB LYS A 47 -14.452 -21.494 -4.914 1.00 1.30 C ATOM 697 CG LYS A 47 -15.004 -20.713 -3.728 1.00 1.49 C ATOM 698 CD LYS A 47 -14.203 -20.971 -2.458 1.00 1.72 C ATOM 699 CE LYS A 47 -15.070 -21.593 -1.372 1.00 1.61 C ATOM 700 NZ LYS A 47 -14.260 -22.180 -0.270 1.00 2.27 N ATOM 0 H LYS A 47 -12.706 -23.536 -5.848 1.00 1.23 H new ATOM 0 HA LYS A 47 -14.619 -23.193 -3.620 1.00 1.28 H new ATOM 0 HB2 LYS A 47 -13.466 -21.105 -5.168 1.00 1.30 H new ATOM 0 HB3 LYS A 47 -15.093 -21.326 -5.779 1.00 1.30 H new ATOM 0 HG2 LYS A 47 -14.990 -19.647 -3.956 1.00 1.49 H new ATOM 0 HG3 LYS A 47 -16.045 -20.990 -3.563 1.00 1.49 H new ATOM 0 HD2 LYS A 47 -13.366 -21.633 -2.682 1.00 1.72 H new ATOM 0 HD3 LYS A 47 -13.780 -20.034 -2.096 1.00 1.72 H new ATOM 0 HE2 LYS A 47 -15.738 -20.834 -0.965 1.00 1.61 H new ATOM 0 HE3 LYS A 47 -15.698 -22.368 -1.811 1.00 1.61 H new ATOM 0 HZ1 LYS A 47 -14.893 -22.591 0.445 1.00 2.27 H new ATOM 0 HZ2 LYS A 47 -13.641 -22.923 -0.652 1.00 2.27 H new ATOM 0 HZ3 LYS A 47 -13.679 -21.437 0.168 1.00 2.27 H new ATOM 714 N ALA A 48 -16.549 -23.885 -5.131 1.00 1.33 N ATOM 715 CA ALA A 48 -17.550 -24.664 -5.856 1.00 1.38 C ATOM 716 C ALA A 48 -17.786 -24.109 -7.256 1.00 1.18 C ATOM 717 O ALA A 48 -17.975 -24.869 -8.205 1.00 1.05 O ATOM 718 CB ALA A 48 -18.857 -24.703 -5.080 1.00 1.64 C ATOM 0 H ALA A 48 -16.896 -23.453 -4.275 1.00 1.33 H new ATOM 0 HA ALA A 48 -17.167 -25.679 -5.959 1.00 1.38 H new ATOM 0 HB1 ALA A 48 -19.592 -25.287 -5.634 1.00 1.64 H new ATOM 0 HB2 ALA A 48 -18.688 -25.162 -4.106 1.00 1.64 H new ATOM 0 HB3 ALA A 48 -19.229 -23.688 -4.943 1.00 1.64 H new ATOM 724 N MET A 49 -17.778 -22.786 -7.376 1.00 1.20 N ATOM 725 CA MET A 49 -17.946 -22.126 -8.670 1.00 1.09 C ATOM 726 C MET A 49 -16.839 -22.539 -9.638 1.00 0.94 C ATOM 727 O MET A 49 -17.069 -22.687 -10.839 1.00 0.85 O ATOM 728 CB MET A 49 -17.953 -20.604 -8.491 1.00 1.22 C ATOM 729 CG MET A 49 -18.229 -19.834 -9.774 1.00 1.35 C ATOM 730 SD MET A 49 -19.590 -18.661 -9.606 1.00 1.95 S ATOM 731 CE MET A 49 -20.544 -19.042 -11.074 1.00 2.58 C ATOM 0 H MET A 49 -17.657 -22.146 -6.591 1.00 1.20 H new ATOM 0 HA MET A 49 -18.902 -22.437 -9.091 1.00 1.09 H new ATOM 0 HB2 MET A 49 -18.707 -20.339 -7.750 1.00 1.22 H new ATOM 0 HB3 MET A 49 -16.989 -20.291 -8.091 1.00 1.22 H new ATOM 0 HG2 MET A 49 -17.328 -19.298 -10.072 1.00 1.35 H new ATOM 0 HG3 MET A 49 -18.459 -20.539 -10.573 1.00 1.35 H new ATOM 0 HE1 MET A 49 -21.236 -18.225 -11.281 1.00 2.58 H new ATOM 0 HE2 MET A 49 -19.871 -19.171 -11.922 1.00 2.58 H new ATOM 0 HE3 MET A 49 -21.106 -19.962 -10.914 1.00 2.58 H new ATOM 741 N ALA A 50 -15.640 -22.746 -9.104 1.00 0.96 N ATOM 742 CA ALA A 50 -14.506 -23.173 -9.913 1.00 0.90 C ATOM 743 C ALA A 50 -14.633 -24.650 -10.263 1.00 0.84 C ATOM 744 O ALA A 50 -14.291 -25.072 -11.368 1.00 0.80 O ATOM 745 CB ALA A 50 -13.197 -22.907 -9.181 1.00 1.06 C ATOM 0 H ALA A 50 -15.429 -22.625 -8.113 1.00 0.96 H new ATOM 0 HA ALA A 50 -14.503 -22.597 -10.838 1.00 0.90 H new ATOM 0 HB1 ALA A 50 -12.361 -23.232 -9.800 1.00 1.06 H new ATOM 0 HB2 ALA A 50 -13.104 -21.840 -8.977 1.00 1.06 H new ATOM 0 HB3 ALA A 50 -13.188 -23.458 -8.241 1.00 1.06 H new ATOM 751 N VAL A 51 -15.144 -25.427 -9.316 1.00 0.90 N ATOM 752 CA VAL A 51 -15.374 -26.850 -9.530 1.00 0.92 C ATOM 753 C VAL A 51 -16.385 -27.063 -10.651 1.00 0.84 C ATOM 754 O VAL A 51 -16.228 -27.957 -11.479 1.00 0.85 O ATOM 755 CB VAL A 51 -15.880 -27.536 -8.245 1.00 1.07 C ATOM 756 CG1 VAL A 51 -16.188 -29.006 -8.493 1.00 1.17 C ATOM 757 CG2 VAL A 51 -14.861 -27.391 -7.127 1.00 1.46 C ATOM 0 H VAL A 51 -15.408 -25.094 -8.389 1.00 0.90 H new ATOM 0 HA VAL A 51 -14.421 -27.298 -9.810 1.00 0.92 H new ATOM 0 HB VAL A 51 -16.804 -27.043 -7.943 1.00 1.07 H new ATOM 0 HG11 VAL A 51 -16.543 -29.464 -7.570 1.00 1.17 H new ATOM 0 HG12 VAL A 51 -16.958 -29.092 -9.260 1.00 1.17 H new ATOM 0 HG13 VAL A 51 -15.284 -29.516 -8.827 1.00 1.17 H new ATOM 0 HG21 VAL A 51 -15.235 -27.881 -6.228 1.00 1.46 H new ATOM 0 HG22 VAL A 51 -13.922 -27.854 -7.429 1.00 1.46 H new ATOM 0 HG23 VAL A 51 -14.695 -26.334 -6.921 1.00 1.46 H new ATOM 767 N ALA A 52 -17.417 -26.226 -10.671 1.00 0.84 N ATOM 768 CA ALA A 52 -18.440 -26.286 -11.709 1.00 0.85 C ATOM 769 C ALA A 52 -17.843 -25.979 -13.077 1.00 0.77 C ATOM 770 O ALA A 52 -18.198 -26.603 -14.076 1.00 0.83 O ATOM 771 CB ALA A 52 -19.571 -25.317 -11.394 1.00 0.97 C ATOM 0 H ALA A 52 -17.567 -25.494 -9.976 1.00 0.84 H new ATOM 0 HA ALA A 52 -18.843 -27.298 -11.733 1.00 0.85 H new ATOM 0 HB1 ALA A 52 -20.327 -25.373 -12.177 1.00 0.97 H new ATOM 0 HB2 ALA A 52 -20.020 -25.581 -10.437 1.00 0.97 H new ATOM 0 HB3 ALA A 52 -19.177 -24.302 -11.342 1.00 0.97 H new ATOM 777 N ALA A 53 -16.927 -25.021 -13.118 1.00 0.72 N ATOM 778 CA ALA A 53 -16.263 -24.650 -14.360 1.00 0.74 C ATOM 779 C ALA A 53 -15.361 -25.779 -14.850 1.00 0.73 C ATOM 780 O ALA A 53 -15.282 -26.047 -16.050 1.00 0.93 O ATOM 781 CB ALA A 53 -15.460 -23.371 -14.174 1.00 0.82 C ATOM 0 H ALA A 53 -16.626 -24.486 -12.303 1.00 0.72 H new ATOM 0 HA ALA A 53 -17.029 -24.472 -15.115 1.00 0.74 H new ATOM 0 HB1 ALA A 53 -14.971 -23.109 -15.112 1.00 0.82 H new ATOM 0 HB2 ALA A 53 -16.127 -22.563 -13.875 1.00 0.82 H new ATOM 0 HB3 ALA A 53 -14.706 -23.524 -13.402 1.00 0.82 H new ATOM 787 N GLN A 54 -14.698 -26.456 -13.920 1.00 0.71 N ATOM 788 CA GLN A 54 -13.791 -27.540 -14.273 1.00 0.83 C ATOM 789 C GLN A 54 -14.525 -28.879 -14.343 1.00 0.88 C ATOM 790 O GLN A 54 -13.901 -29.939 -14.394 1.00 1.07 O ATOM 791 CB GLN A 54 -12.618 -27.604 -13.288 1.00 0.99 C ATOM 792 CG GLN A 54 -12.956 -28.230 -11.944 1.00 1.27 C ATOM 793 CD GLN A 54 -11.773 -28.953 -11.333 1.00 1.30 C ATOM 794 OE1 GLN A 54 -10.628 -28.519 -11.462 1.00 1.76 O ATOM 795 NE2 GLN A 54 -12.034 -30.068 -10.672 1.00 1.86 N ATOM 0 H GLN A 54 -14.771 -26.274 -12.919 1.00 0.71 H new ATOM 0 HA GLN A 54 -13.391 -27.334 -15.266 1.00 0.83 H new ATOM 0 HB2 GLN A 54 -11.807 -28.171 -13.745 1.00 0.99 H new ATOM 0 HB3 GLN A 54 -12.245 -26.593 -13.120 1.00 0.99 H new ATOM 0 HG2 GLN A 54 -13.297 -27.453 -11.260 1.00 1.27 H new ATOM 0 HG3 GLN A 54 -13.782 -28.930 -12.069 1.00 1.27 H new ATOM 0 HE21 GLN A 54 -12.996 -30.397 -10.586 1.00 1.86 H new ATOM 0 HE22 GLN A 54 -11.274 -30.599 -10.248 1.00 1.86 H new ATOM 804 N VAL A 55 -15.851 -28.824 -14.335 1.00 0.88 N ATOM 805 CA VAL A 55 -16.662 -30.019 -14.542 1.00 0.98 C ATOM 806 C VAL A 55 -17.615 -29.820 -15.723 1.00 0.96 C ATOM 807 O VAL A 55 -18.209 -30.771 -16.229 1.00 1.10 O ATOM 808 CB VAL A 55 -17.448 -30.410 -13.266 1.00 1.13 C ATOM 809 CG1 VAL A 55 -18.759 -29.643 -13.156 1.00 1.82 C ATOM 810 CG2 VAL A 55 -17.698 -31.912 -13.233 1.00 1.36 C ATOM 0 H VAL A 55 -16.387 -27.969 -14.188 1.00 0.88 H new ATOM 0 HA VAL A 55 -15.984 -30.841 -14.771 1.00 0.98 H new ATOM 0 HB VAL A 55 -16.837 -30.139 -12.405 1.00 1.13 H new ATOM 0 HG11 VAL A 55 -19.282 -29.944 -12.248 1.00 1.82 H new ATOM 0 HG12 VAL A 55 -18.553 -28.573 -13.118 1.00 1.82 H new ATOM 0 HG13 VAL A 55 -19.382 -29.861 -14.023 1.00 1.82 H new ATOM 0 HG21 VAL A 55 -18.251 -32.169 -12.330 1.00 1.36 H new ATOM 0 HG22 VAL A 55 -18.277 -32.204 -14.109 1.00 1.36 H new ATOM 0 HG23 VAL A 55 -16.744 -32.440 -13.237 1.00 1.36 H new ATOM 820 N HIS A 56 -17.762 -28.571 -16.154 1.00 0.95 N ATOM 821 CA HIS A 56 -18.525 -28.259 -17.359 1.00 1.02 C ATOM 822 C HIS A 56 -17.580 -28.180 -18.548 1.00 0.97 C ATOM 823 O HIS A 56 -17.999 -28.078 -19.698 1.00 1.30 O ATOM 824 CB HIS A 56 -19.275 -26.938 -17.192 1.00 1.22 C ATOM 825 CG HIS A 56 -20.699 -26.992 -17.649 1.00 1.39 C ATOM 826 ND1 HIS A 56 -21.603 -27.924 -17.189 1.00 1.92 N ATOM 827 CD2 HIS A 56 -21.376 -26.215 -18.525 1.00 1.81 C ATOM 828 CE1 HIS A 56 -22.775 -27.709 -17.754 1.00 1.97 C ATOM 829 NE2 HIS A 56 -22.667 -26.681 -18.570 1.00 1.97 N ATOM 0 H HIS A 56 -17.363 -27.757 -15.687 1.00 0.95 H new ATOM 0 HA HIS A 56 -19.258 -29.047 -17.530 1.00 1.02 H new ATOM 0 HB2 HIS A 56 -19.251 -26.647 -16.142 1.00 1.22 H new ATOM 0 HB3 HIS A 56 -18.753 -26.161 -17.750 1.00 1.22 H new ATOM 0 HD2 HIS A 56 -20.976 -25.383 -19.085 1.00 1.81 H new ATOM 0 HE1 HIS A 56 -23.674 -28.281 -17.577 1.00 1.97 H new ATOM 0 HE2 HIS A 56 -23.418 -26.295 -19.141 1.00 1.97 H new ATOM 838 N ARG A 57 -16.298 -28.219 -18.229 1.00 0.98 N ATOM 839 CA ARG A 57 -15.228 -28.225 -19.207 1.00 1.19 C ATOM 840 C ARG A 57 -14.109 -29.092 -18.647 1.00 1.33 C ATOM 841 O ARG A 57 -14.117 -29.384 -17.451 1.00 2.17 O ATOM 842 CB ARG A 57 -14.745 -26.787 -19.466 1.00 1.33 C ATOM 843 CG ARG A 57 -13.601 -26.663 -20.464 1.00 1.79 C ATOM 844 CD ARG A 57 -12.663 -25.527 -20.078 1.00 1.88 C ATOM 845 NE ARG A 57 -11.506 -25.425 -20.967 1.00 2.28 N ATOM 846 CZ ARG A 57 -10.334 -26.022 -20.748 1.00 2.79 C ATOM 847 NH1 ARG A 57 -10.174 -26.829 -19.706 1.00 3.10 N ATOM 848 NH2 ARG A 57 -9.327 -25.817 -21.585 1.00 3.57 N ATOM 0 H ARG A 57 -15.967 -28.248 -17.265 1.00 0.98 H new ATOM 0 HA ARG A 57 -15.567 -28.628 -20.161 1.00 1.19 H new ATOM 0 HB2 ARG A 57 -15.587 -26.196 -19.826 1.00 1.33 H new ATOM 0 HB3 ARG A 57 -14.430 -26.349 -18.519 1.00 1.33 H new ATOM 0 HG2 ARG A 57 -13.046 -27.600 -20.505 1.00 1.79 H new ATOM 0 HG3 ARG A 57 -14.002 -26.486 -21.462 1.00 1.79 H new ATOM 0 HD2 ARG A 57 -13.213 -24.586 -20.094 1.00 1.88 H new ATOM 0 HD3 ARG A 57 -12.318 -25.677 -19.055 1.00 1.88 H new ATOM 0 HE ARG A 57 -11.602 -24.860 -21.811 1.00 2.28 H new ATOM 0 HH11 ARG A 57 -10.951 -26.996 -19.066 1.00 3.10 H new ATOM 0 HH12 ARG A 57 -9.274 -27.282 -19.545 1.00 3.10 H new ATOM 0 HH21 ARG A 57 -9.451 -25.205 -22.392 1.00 3.57 H new ATOM 0 HH22 ARG A 57 -8.428 -26.271 -21.422 1.00 3.57 H new ATOM 862 N GLU A 58 -13.172 -29.515 -19.490 1.00 1.21 N ATOM 863 CA GLU A 58 -12.058 -30.344 -19.038 1.00 1.40 C ATOM 864 C GLU A 58 -11.383 -29.732 -17.811 1.00 1.22 C ATOM 865 O GLU A 58 -11.291 -28.504 -17.695 1.00 1.68 O ATOM 866 CB GLU A 58 -11.042 -30.533 -20.165 1.00 1.88 C ATOM 867 CG GLU A 58 -10.715 -31.989 -20.443 1.00 2.68 C ATOM 868 CD GLU A 58 -10.416 -32.250 -21.903 1.00 3.16 C ATOM 869 OE1 GLU A 58 -9.673 -31.454 -22.517 1.00 3.53 O ATOM 870 OE2 GLU A 58 -10.918 -33.257 -22.445 1.00 3.64 O ATOM 0 H GLU A 58 -13.161 -29.299 -20.487 1.00 1.21 H new ATOM 0 HA GLU A 58 -12.455 -31.320 -18.756 1.00 1.40 H new ATOM 0 HB2 GLU A 58 -11.430 -30.075 -21.075 1.00 1.88 H new ATOM 0 HB3 GLU A 58 -10.124 -30.004 -19.909 1.00 1.88 H new ATOM 0 HG2 GLU A 58 -9.856 -32.286 -19.841 1.00 2.68 H new ATOM 0 HG3 GLU A 58 -11.553 -32.612 -20.131 1.00 2.68 H new ATOM 877 N TYR A 59 -10.930 -30.596 -16.905 1.00 1.26 N ATOM 878 CA TYR A 59 -10.372 -30.177 -15.620 1.00 1.40 C ATOM 879 C TYR A 59 -9.340 -29.075 -15.789 1.00 1.33 C ATOM 880 O TYR A 59 -8.307 -29.259 -16.435 1.00 1.82 O ATOM 881 CB TYR A 59 -9.752 -31.373 -14.902 1.00 1.93 C ATOM 882 CG TYR A 59 -10.769 -32.404 -14.475 1.00 2.42 C ATOM 883 CD1 TYR A 59 -11.534 -32.216 -13.332 1.00 2.98 C ATOM 884 CD2 TYR A 59 -10.965 -33.562 -15.214 1.00 2.85 C ATOM 885 CE1 TYR A 59 -12.461 -33.156 -12.934 1.00 3.65 C ATOM 886 CE2 TYR A 59 -11.892 -34.508 -14.822 1.00 3.50 C ATOM 887 CZ TYR A 59 -12.642 -34.299 -13.694 1.00 3.80 C ATOM 888 OH TYR A 59 -13.564 -35.239 -13.289 1.00 4.58 O ATOM 0 H TYR A 59 -10.939 -31.607 -17.041 1.00 1.26 H new ATOM 0 HA TYR A 59 -11.188 -29.778 -15.018 1.00 1.40 H new ATOM 0 HB2 TYR A 59 -9.021 -31.844 -15.559 1.00 1.93 H new ATOM 0 HB3 TYR A 59 -9.211 -31.021 -14.024 1.00 1.93 H new ATOM 0 HD1 TYR A 59 -11.401 -31.319 -12.745 1.00 2.98 H new ATOM 0 HD2 TYR A 59 -10.384 -33.726 -16.109 1.00 2.85 H new ATOM 0 HE1 TYR A 59 -13.041 -33.002 -12.036 1.00 3.65 H new ATOM 0 HE2 TYR A 59 -12.025 -35.409 -15.402 1.00 3.50 H new ATOM 0 HH TYR A 59 -13.575 -35.982 -13.927 1.00 4.58 H new ATOM 898 N GLN A 60 -9.635 -27.926 -15.206 1.00 1.24 N ATOM 899 CA GLN A 60 -8.793 -26.753 -15.352 1.00 1.28 C ATOM 900 C GLN A 60 -7.767 -26.675 -14.230 1.00 1.38 C ATOM 901 O GLN A 60 -7.885 -25.865 -13.309 1.00 1.94 O ATOM 902 CB GLN A 60 -9.648 -25.487 -15.381 1.00 1.68 C ATOM 903 CG GLN A 60 -10.320 -25.244 -16.721 1.00 1.83 C ATOM 904 CD GLN A 60 -11.827 -25.131 -16.605 1.00 2.07 C ATOM 905 OE1 GLN A 60 -12.365 -24.051 -16.384 1.00 2.80 O ATOM 906 NE2 GLN A 60 -12.521 -26.245 -16.767 1.00 2.27 N ATOM 0 H GLN A 60 -10.459 -27.781 -14.622 1.00 1.24 H new ATOM 0 HA GLN A 60 -8.255 -26.836 -16.297 1.00 1.28 H new ATOM 0 HB2 GLN A 60 -10.412 -25.556 -14.607 1.00 1.68 H new ATOM 0 HB3 GLN A 60 -9.022 -24.629 -15.136 1.00 1.68 H new ATOM 0 HG2 GLN A 60 -9.924 -24.329 -17.162 1.00 1.83 H new ATOM 0 HG3 GLN A 60 -10.072 -26.059 -17.401 1.00 1.83 H new ATOM 0 HE21 GLN A 60 -12.038 -27.125 -16.949 1.00 2.27 H new ATOM 0 HE22 GLN A 60 -13.539 -26.224 -16.710 1.00 2.27 H new ATOM 915 N VAL A 61 -6.768 -27.536 -14.315 1.00 1.49 N ATOM 916 CA VAL A 61 -5.669 -27.531 -13.361 1.00 1.90 C ATOM 917 C VAL A 61 -4.666 -26.446 -13.736 1.00 2.03 C ATOM 918 O VAL A 61 -3.905 -25.957 -12.898 1.00 2.77 O ATOM 919 CB VAL A 61 -4.956 -28.899 -13.316 1.00 2.42 C ATOM 920 CG1 VAL A 61 -4.083 -29.013 -12.076 1.00 3.13 C ATOM 921 CG2 VAL A 61 -5.971 -30.032 -13.365 1.00 2.70 C ATOM 0 H VAL A 61 -6.694 -28.251 -15.038 1.00 1.49 H new ATOM 0 HA VAL A 61 -6.082 -27.329 -12.373 1.00 1.90 H new ATOM 0 HB VAL A 61 -4.312 -28.977 -14.192 1.00 2.42 H new ATOM 0 HG11 VAL A 61 -3.591 -29.985 -12.066 1.00 3.13 H new ATOM 0 HG12 VAL A 61 -3.330 -28.225 -12.087 1.00 3.13 H new ATOM 0 HG13 VAL A 61 -4.702 -28.910 -11.185 1.00 3.13 H new ATOM 0 HG21 VAL A 61 -5.450 -30.989 -13.332 1.00 2.70 H new ATOM 0 HG22 VAL A 61 -6.643 -29.955 -12.510 1.00 2.70 H new ATOM 0 HG23 VAL A 61 -6.548 -29.964 -14.287 1.00 2.70 H new ATOM 931 N GLU A 62 -4.687 -26.072 -15.007 1.00 1.77 N ATOM 932 CA GLU A 62 -3.796 -25.050 -15.525 1.00 2.15 C ATOM 933 C GLU A 62 -4.509 -23.704 -15.608 1.00 1.95 C ATOM 934 O GLU A 62 -4.335 -22.846 -14.741 1.00 2.59 O ATOM 935 CB GLU A 62 -3.267 -25.450 -16.909 1.00 2.85 C ATOM 936 CG GLU A 62 -3.213 -26.953 -17.139 1.00 3.27 C ATOM 937 CD GLU A 62 -4.486 -27.503 -17.753 1.00 4.00 C ATOM 938 OE1 GLU A 62 -5.569 -26.939 -17.493 1.00 4.41 O ATOM 939 OE2 GLU A 62 -4.409 -28.510 -18.492 1.00 4.56 O ATOM 0 H GLU A 62 -5.319 -26.467 -15.703 1.00 1.77 H new ATOM 0 HA GLU A 62 -2.954 -24.956 -14.840 1.00 2.15 H new ATOM 0 HB2 GLU A 62 -3.900 -24.998 -17.673 1.00 2.85 H new ATOM 0 HB3 GLU A 62 -2.267 -25.037 -17.038 1.00 2.85 H new ATOM 0 HG2 GLU A 62 -2.371 -27.185 -17.791 1.00 3.27 H new ATOM 0 HG3 GLU A 62 -3.028 -27.454 -16.189 1.00 3.27 H new ATOM 946 N LEU A 63 -5.330 -23.529 -16.638 1.00 1.62 N ATOM 947 CA LEU A 63 -5.975 -22.247 -16.888 1.00 1.78 C ATOM 948 C LEU A 63 -7.435 -22.422 -17.300 1.00 1.53 C ATOM 949 O LEU A 63 -7.728 -22.960 -18.371 1.00 1.50 O ATOM 950 CB LEU A 63 -5.219 -21.485 -17.983 1.00 2.34 C ATOM 951 CG LEU A 63 -4.110 -20.549 -17.490 1.00 2.46 C ATOM 952 CD1 LEU A 63 -2.755 -21.238 -17.552 1.00 2.93 C ATOM 953 CD2 LEU A 63 -4.092 -19.272 -18.313 1.00 3.01 C ATOM 0 H LEU A 63 -5.564 -24.258 -17.312 1.00 1.62 H new ATOM 0 HA LEU A 63 -5.952 -21.678 -15.959 1.00 1.78 H new ATOM 0 HB2 LEU A 63 -4.780 -22.210 -18.669 1.00 2.34 H new ATOM 0 HB3 LEU A 63 -5.938 -20.899 -18.555 1.00 2.34 H new ATOM 0 HG LEU A 63 -4.316 -20.293 -16.451 1.00 2.46 H new ATOM 0 HD11 LEU A 63 -1.983 -20.555 -17.197 1.00 2.93 H new ATOM 0 HD12 LEU A 63 -2.770 -22.127 -16.922 1.00 2.93 H new ATOM 0 HD13 LEU A 63 -2.540 -21.526 -18.581 1.00 2.93 H new ATOM 0 HD21 LEU A 63 -3.299 -18.617 -17.951 1.00 3.01 H new ATOM 0 HD22 LEU A 63 -3.911 -19.516 -19.360 1.00 3.01 H new ATOM 0 HD23 LEU A 63 -5.052 -18.765 -18.219 1.00 3.01 H new ATOM 965 N PRO A 64 -8.370 -21.991 -16.438 1.00 1.52 N ATOM 966 CA PRO A 64 -9.803 -21.941 -16.756 1.00 1.44 C ATOM 967 C PRO A 64 -10.116 -20.827 -17.755 1.00 1.43 C ATOM 968 O PRO A 64 -10.782 -19.844 -17.423 1.00 1.89 O ATOM 969 CB PRO A 64 -10.472 -21.652 -15.400 1.00 1.66 C ATOM 970 CG PRO A 64 -9.406 -21.870 -14.380 1.00 1.91 C ATOM 971 CD PRO A 64 -8.112 -21.547 -15.066 1.00 1.79 C ATOM 0 HA PRO A 64 -10.154 -22.863 -17.220 1.00 1.44 H new ATOM 0 HB2 PRO A 64 -10.853 -20.631 -15.359 1.00 1.66 H new ATOM 0 HB3 PRO A 64 -11.320 -22.316 -15.231 1.00 1.66 H new ATOM 0 HG2 PRO A 64 -9.559 -21.229 -13.512 1.00 1.91 H new ATOM 0 HG3 PRO A 64 -9.412 -22.899 -14.022 1.00 1.91 H new ATOM 0 HD2 PRO A 64 -7.881 -20.483 -15.019 1.00 1.79 H new ATOM 0 HD3 PRO A 64 -7.271 -22.076 -14.618 1.00 1.79 H new ATOM 979 N LEU A 65 -9.645 -21.001 -18.979 1.00 1.22 N ATOM 980 CA LEU A 65 -9.717 -19.956 -19.992 1.00 1.24 C ATOM 981 C LEU A 65 -11.080 -19.899 -20.676 1.00 1.19 C ATOM 982 O LEU A 65 -11.642 -20.926 -21.054 1.00 1.82 O ATOM 983 CB LEU A 65 -8.625 -20.171 -21.041 1.00 1.39 C ATOM 984 CG LEU A 65 -7.867 -18.909 -21.455 1.00 1.86 C ATOM 985 CD1 LEU A 65 -7.110 -18.325 -20.271 1.00 2.46 C ATOM 986 CD2 LEU A 65 -6.913 -19.209 -22.600 1.00 2.34 C ATOM 0 H LEU A 65 -9.205 -21.864 -19.299 1.00 1.22 H new ATOM 0 HA LEU A 65 -9.566 -19.004 -19.483 1.00 1.24 H new ATOM 0 HB2 LEU A 65 -7.909 -20.896 -20.654 1.00 1.39 H new ATOM 0 HB3 LEU A 65 -9.077 -20.612 -21.929 1.00 1.39 H new ATOM 0 HG LEU A 65 -8.593 -18.172 -21.796 1.00 1.86 H new ATOM 0 HD11 LEU A 65 -6.577 -17.428 -20.586 1.00 2.46 H new ATOM 0 HD12 LEU A 65 -7.814 -18.069 -19.479 1.00 2.46 H new ATOM 0 HD13 LEU A 65 -6.396 -19.059 -19.898 1.00 2.46 H new ATOM 0 HD21 LEU A 65 -6.383 -18.299 -22.880 1.00 2.34 H new ATOM 0 HD22 LEU A 65 -6.194 -19.965 -22.286 1.00 2.34 H new ATOM 0 HD23 LEU A 65 -7.477 -19.578 -23.456 1.00 2.34 H new ATOM 998 N LYS A 66 -11.606 -18.676 -20.800 1.00 0.89 N ATOM 999 CA LYS A 66 -12.795 -18.387 -21.614 1.00 0.89 C ATOM 1000 C LYS A 66 -14.063 -19.082 -21.112 1.00 0.88 C ATOM 1001 O LYS A 66 -15.033 -19.228 -21.857 1.00 1.21 O ATOM 1002 CB LYS A 66 -12.540 -18.758 -23.079 1.00 1.03 C ATOM 1003 CG LYS A 66 -11.607 -17.793 -23.793 1.00 1.47 C ATOM 1004 CD LYS A 66 -11.903 -17.728 -25.282 1.00 1.62 C ATOM 1005 CE LYS A 66 -12.583 -16.423 -25.658 1.00 1.99 C ATOM 1006 NZ LYS A 66 -11.771 -15.631 -26.620 1.00 2.42 N ATOM 0 H LYS A 66 -11.218 -17.854 -20.337 1.00 0.89 H new ATOM 0 HA LYS A 66 -12.972 -17.315 -21.525 1.00 0.89 H new ATOM 0 HB2 LYS A 66 -12.116 -19.761 -23.123 1.00 1.03 H new ATOM 0 HB3 LYS A 66 -13.492 -18.790 -23.609 1.00 1.03 H new ATOM 0 HG2 LYS A 66 -11.708 -16.799 -23.358 1.00 1.47 H new ATOM 0 HG3 LYS A 66 -10.574 -18.105 -23.640 1.00 1.47 H new ATOM 0 HD2 LYS A 66 -10.974 -17.830 -25.843 1.00 1.62 H new ATOM 0 HD3 LYS A 66 -12.540 -18.566 -25.564 1.00 1.62 H new ATOM 0 HE2 LYS A 66 -13.559 -16.635 -26.095 1.00 1.99 H new ATOM 0 HE3 LYS A 66 -12.758 -15.833 -24.759 1.00 1.99 H new ATOM 0 HZ1 LYS A 66 -12.270 -14.748 -26.851 1.00 2.42 H new ATOM 0 HZ2 LYS A 66 -10.849 -15.406 -26.194 1.00 2.42 H new ATOM 0 HZ3 LYS A 66 -11.625 -16.184 -27.489 1.00 2.42 H new ATOM 1020 N VAL A 67 -14.063 -19.503 -19.858 1.00 0.96 N ATOM 1021 CA VAL A 67 -15.268 -20.067 -19.259 1.00 1.08 C ATOM 1022 C VAL A 67 -15.950 -19.036 -18.369 1.00 1.15 C ATOM 1023 O VAL A 67 -17.125 -18.726 -18.551 1.00 1.70 O ATOM 1024 CB VAL A 67 -14.987 -21.343 -18.434 1.00 1.17 C ATOM 1025 CG1 VAL A 67 -15.372 -22.584 -19.223 1.00 1.65 C ATOM 1026 CG2 VAL A 67 -13.531 -21.414 -17.999 1.00 2.11 C ATOM 0 H VAL A 67 -13.254 -19.467 -19.238 1.00 0.96 H new ATOM 0 HA VAL A 67 -15.922 -20.345 -20.086 1.00 1.08 H new ATOM 0 HB VAL A 67 -15.600 -21.299 -17.534 1.00 1.17 H new ATOM 0 HG11 VAL A 67 -15.167 -23.473 -18.626 1.00 1.65 H new ATOM 0 HG12 VAL A 67 -16.434 -22.546 -19.465 1.00 1.65 H new ATOM 0 HG13 VAL A 67 -14.791 -22.624 -20.145 1.00 1.65 H new ATOM 0 HG21 VAL A 67 -13.368 -22.324 -17.421 1.00 2.11 H new ATOM 0 HG22 VAL A 67 -12.888 -21.423 -18.879 1.00 2.11 H new ATOM 0 HG23 VAL A 67 -13.292 -20.546 -17.385 1.00 2.11 H new ATOM 1036 N LEU A 68 -15.193 -18.496 -17.420 1.00 1.00 N ATOM 1037 CA LEU A 68 -15.710 -17.485 -16.503 1.00 1.15 C ATOM 1038 C LEU A 68 -14.573 -16.855 -15.709 1.00 1.14 C ATOM 1039 O LEU A 68 -14.534 -15.646 -15.512 1.00 1.53 O ATOM 1040 CB LEU A 68 -16.730 -18.096 -15.535 1.00 1.35 C ATOM 1041 CG LEU A 68 -18.166 -17.591 -15.695 1.00 1.62 C ATOM 1042 CD1 LEU A 68 -19.088 -18.323 -14.740 1.00 2.19 C ATOM 1043 CD2 LEU A 68 -18.241 -16.090 -15.458 1.00 2.02 C ATOM 0 H LEU A 68 -14.215 -18.742 -17.265 1.00 1.00 H new ATOM 0 HA LEU A 68 -16.204 -16.717 -17.098 1.00 1.15 H new ATOM 0 HB2 LEU A 68 -16.726 -19.178 -15.664 1.00 1.35 H new ATOM 0 HB3 LEU A 68 -16.403 -17.896 -14.515 1.00 1.35 H new ATOM 0 HG LEU A 68 -18.488 -17.790 -16.717 1.00 1.62 H new ATOM 0 HD11 LEU A 68 -20.106 -17.955 -14.864 1.00 2.19 H new ATOM 0 HD12 LEU A 68 -19.060 -19.391 -14.954 1.00 2.19 H new ATOM 0 HD13 LEU A 68 -18.761 -18.150 -13.715 1.00 2.19 H new ATOM 0 HD21 LEU A 68 -19.271 -15.754 -15.577 1.00 2.02 H new ATOM 0 HD22 LEU A 68 -17.900 -15.864 -14.448 1.00 2.02 H new ATOM 0 HD23 LEU A 68 -17.606 -15.576 -16.179 1.00 2.02 H new ATOM 1055 N PHE A 69 -13.632 -17.688 -15.282 1.00 1.04 N ATOM 1056 CA PHE A 69 -12.552 -17.246 -14.406 1.00 1.16 C ATOM 1057 C PHE A 69 -11.411 -16.584 -15.176 1.00 1.15 C ATOM 1058 O PHE A 69 -10.407 -16.196 -14.585 1.00 1.87 O ATOM 1059 CB PHE A 69 -12.007 -18.433 -13.613 1.00 1.30 C ATOM 1060 CG PHE A 69 -12.866 -18.820 -12.445 1.00 1.20 C ATOM 1061 CD1 PHE A 69 -13.921 -19.702 -12.606 1.00 1.60 C ATOM 1062 CD2 PHE A 69 -12.616 -18.303 -11.183 1.00 1.55 C ATOM 1063 CE1 PHE A 69 -14.712 -20.059 -11.531 1.00 1.69 C ATOM 1064 CE2 PHE A 69 -13.404 -18.657 -10.106 1.00 1.81 C ATOM 1065 CZ PHE A 69 -14.457 -19.537 -10.282 1.00 1.60 C ATOM 0 H PHE A 69 -13.594 -18.677 -15.529 1.00 1.04 H new ATOM 0 HA PHE A 69 -12.971 -16.500 -13.731 1.00 1.16 H new ATOM 0 HB2 PHE A 69 -11.907 -19.290 -14.280 1.00 1.30 H new ATOM 0 HB3 PHE A 69 -11.007 -18.191 -13.253 1.00 1.30 H new ATOM 0 HD1 PHE A 69 -14.128 -20.115 -13.582 1.00 1.60 H new ATOM 0 HD2 PHE A 69 -11.795 -17.615 -11.041 1.00 1.55 H new ATOM 0 HE1 PHE A 69 -15.532 -20.748 -11.670 1.00 1.69 H new ATOM 0 HE2 PHE A 69 -13.199 -18.248 -9.128 1.00 1.81 H new ATOM 0 HZ PHE A 69 -15.077 -19.814 -9.442 1.00 1.60 H new ATOM 1075 N ALA A 70 -11.559 -16.448 -16.485 1.00 0.92 N ATOM 1076 CA ALA A 70 -10.495 -15.881 -17.305 1.00 0.94 C ATOM 1077 C ALA A 70 -11.035 -14.840 -18.272 1.00 0.91 C ATOM 1078 O ALA A 70 -10.806 -14.924 -19.481 1.00 1.09 O ATOM 1079 CB ALA A 70 -9.759 -16.977 -18.059 1.00 1.03 C ATOM 0 H ALA A 70 -12.397 -16.719 -17.000 1.00 0.92 H new ATOM 0 HA ALA A 70 -9.791 -15.383 -16.638 1.00 0.94 H new ATOM 0 HB1 ALA A 70 -8.969 -16.534 -18.665 1.00 1.03 H new ATOM 0 HB2 ALA A 70 -9.321 -17.677 -17.348 1.00 1.03 H new ATOM 0 HB3 ALA A 70 -10.459 -17.507 -18.706 1.00 1.03 H new ATOM 1085 N GLN A 71 -11.769 -13.877 -17.727 1.00 1.05 N ATOM 1086 CA GLN A 71 -12.271 -12.742 -18.492 1.00 1.14 C ATOM 1087 C GLN A 71 -13.018 -11.789 -17.568 1.00 1.04 C ATOM 1088 O GLN A 71 -14.063 -12.141 -17.023 1.00 1.19 O ATOM 1089 CB GLN A 71 -13.199 -13.191 -19.627 1.00 1.43 C ATOM 1090 CG GLN A 71 -13.280 -12.197 -20.778 1.00 1.89 C ATOM 1091 CD GLN A 71 -11.926 -11.913 -21.406 1.00 2.54 C ATOM 1092 OE1 GLN A 71 -11.288 -12.803 -21.964 1.00 2.96 O ATOM 1093 NE2 GLN A 71 -11.481 -10.670 -21.322 1.00 3.23 N ATOM 0 H GLN A 71 -12.033 -13.861 -16.742 1.00 1.05 H new ATOM 0 HA GLN A 71 -11.415 -12.234 -18.937 1.00 1.14 H new ATOM 0 HB2 GLN A 71 -12.852 -14.151 -20.010 1.00 1.43 H new ATOM 0 HB3 GLN A 71 -14.200 -13.351 -19.225 1.00 1.43 H new ATOM 0 HG2 GLN A 71 -13.955 -12.585 -21.541 1.00 1.89 H new ATOM 0 HG3 GLN A 71 -13.711 -11.263 -20.416 1.00 1.89 H new ATOM 0 HE21 GLN A 71 -12.040 -9.959 -20.851 1.00 3.23 H new ATOM 0 HE22 GLN A 71 -10.579 -10.423 -21.729 1.00 3.23 H new ATOM 1102 N PRO A 72 -12.477 -10.577 -17.363 1.00 1.11 N ATOM 1103 CA PRO A 72 -13.113 -9.537 -16.542 1.00 1.26 C ATOM 1104 C PRO A 72 -14.349 -8.943 -17.219 1.00 1.21 C ATOM 1105 O PRO A 72 -14.507 -7.724 -17.294 1.00 1.62 O ATOM 1106 CB PRO A 72 -12.022 -8.463 -16.396 1.00 1.60 C ATOM 1107 CG PRO A 72 -10.765 -9.097 -16.890 1.00 1.77 C ATOM 1108 CD PRO A 72 -11.186 -10.125 -17.894 1.00 1.38 C ATOM 0 HA PRO A 72 -13.464 -9.935 -15.590 1.00 1.26 H new ATOM 0 HB2 PRO A 72 -12.267 -7.574 -16.977 1.00 1.60 H new ATOM 0 HB3 PRO A 72 -11.920 -8.147 -15.358 1.00 1.60 H new ATOM 0 HG2 PRO A 72 -10.107 -8.356 -17.343 1.00 1.77 H new ATOM 0 HG3 PRO A 72 -10.212 -9.556 -16.071 1.00 1.77 H new ATOM 0 HD2 PRO A 72 -11.284 -9.700 -18.893 1.00 1.38 H new ATOM 0 HD3 PRO A 72 -10.468 -10.942 -17.964 1.00 1.38 H new ATOM 1116 N THR A 73 -15.211 -9.817 -17.712 1.00 1.29 N ATOM 1117 CA THR A 73 -16.412 -9.419 -18.421 1.00 1.40 C ATOM 1118 C THR A 73 -17.442 -10.549 -18.354 1.00 1.25 C ATOM 1119 O THR A 73 -17.553 -11.371 -19.267 1.00 1.55 O ATOM 1120 CB THR A 73 -16.088 -9.056 -19.891 1.00 1.86 C ATOM 1121 OG1 THR A 73 -15.147 -7.970 -19.927 1.00 2.46 O ATOM 1122 CG2 THR A 73 -17.338 -8.657 -20.660 1.00 2.01 C ATOM 0 H THR A 73 -15.095 -10.827 -17.630 1.00 1.29 H new ATOM 0 HA THR A 73 -16.828 -8.531 -17.945 1.00 1.40 H new ATOM 0 HB THR A 73 -15.663 -9.941 -20.364 1.00 1.86 H new ATOM 0 HG1 THR A 73 -14.943 -7.744 -20.859 1.00 2.46 H new ATOM 0 HG21 THR A 73 -17.070 -8.410 -21.687 1.00 2.01 H new ATOM 0 HG22 THR A 73 -18.046 -9.486 -20.659 1.00 2.01 H new ATOM 0 HG23 THR A 73 -17.796 -7.789 -20.185 1.00 2.01 H new ATOM 1130 N ILE A 74 -18.182 -10.584 -17.253 1.00 1.12 N ATOM 1131 CA ILE A 74 -19.124 -11.664 -16.981 1.00 1.13 C ATOM 1132 C ILE A 74 -20.258 -11.677 -17.998 1.00 1.08 C ATOM 1133 O ILE A 74 -20.713 -12.739 -18.413 1.00 1.12 O ATOM 1134 CB ILE A 74 -19.717 -11.547 -15.558 1.00 1.34 C ATOM 1135 CG1 ILE A 74 -18.608 -11.292 -14.528 1.00 1.42 C ATOM 1136 CG2 ILE A 74 -20.501 -12.805 -15.193 1.00 1.89 C ATOM 1137 CD1 ILE A 74 -17.587 -12.407 -14.434 1.00 2.08 C ATOM 0 H ILE A 74 -18.147 -9.869 -16.526 1.00 1.12 H new ATOM 0 HA ILE A 74 -18.567 -12.598 -17.058 1.00 1.13 H new ATOM 0 HB ILE A 74 -20.402 -10.699 -15.546 1.00 1.34 H new ATOM 0 HG12 ILE A 74 -18.096 -10.364 -14.783 1.00 1.42 H new ATOM 0 HG13 ILE A 74 -19.063 -11.146 -13.548 1.00 1.42 H new ATOM 0 HG21 ILE A 74 -20.909 -12.700 -14.188 1.00 1.89 H new ATOM 0 HG22 ILE A 74 -21.316 -12.944 -15.903 1.00 1.89 H new ATOM 0 HG23 ILE A 74 -19.838 -13.670 -15.227 1.00 1.89 H new ATOM 0 HD11 ILE A 74 -16.837 -12.152 -13.685 1.00 2.08 H new ATOM 0 HD12 ILE A 74 -18.085 -13.333 -14.148 1.00 2.08 H new ATOM 0 HD13 ILE A 74 -17.103 -12.540 -15.402 1.00 2.08 H new ATOM 1149 N LYS A 75 -20.695 -10.491 -18.407 1.00 1.07 N ATOM 1150 CA LYS A 75 -21.787 -10.355 -19.369 1.00 1.12 C ATOM 1151 C LYS A 75 -21.484 -11.109 -20.667 1.00 1.02 C ATOM 1152 O LYS A 75 -22.367 -11.738 -21.249 1.00 1.06 O ATOM 1153 CB LYS A 75 -22.044 -8.874 -19.663 1.00 1.25 C ATOM 1154 CG LYS A 75 -23.039 -8.624 -20.787 1.00 1.80 C ATOM 1155 CD LYS A 75 -22.802 -7.272 -21.441 1.00 2.44 C ATOM 1156 CE LYS A 75 -21.441 -7.211 -22.120 1.00 3.14 C ATOM 1157 NZ LYS A 75 -20.635 -6.049 -21.654 1.00 3.80 N ATOM 0 H LYS A 75 -20.308 -9.604 -18.086 1.00 1.07 H new ATOM 0 HA LYS A 75 -22.682 -10.795 -18.930 1.00 1.12 H new ATOM 0 HB2 LYS A 75 -22.410 -8.393 -18.756 1.00 1.25 H new ATOM 0 HB3 LYS A 75 -21.098 -8.396 -19.918 1.00 1.25 H new ATOM 0 HG2 LYS A 75 -22.953 -9.413 -21.535 1.00 1.80 H new ATOM 0 HG3 LYS A 75 -24.055 -8.667 -20.394 1.00 1.80 H new ATOM 0 HD2 LYS A 75 -23.585 -7.080 -22.175 1.00 2.44 H new ATOM 0 HD3 LYS A 75 -22.870 -6.486 -20.689 1.00 2.44 H new ATOM 0 HE2 LYS A 75 -20.895 -8.133 -21.921 1.00 3.14 H new ATOM 0 HE3 LYS A 75 -21.577 -7.148 -23.200 1.00 3.14 H new ATOM 0 HZ1 LYS A 75 -19.625 -6.297 -21.672 1.00 3.80 H new ATOM 0 HZ2 LYS A 75 -20.803 -5.236 -22.281 1.00 3.80 H new ATOM 0 HZ3 LYS A 75 -20.913 -5.801 -20.683 1.00 3.80 H new ATOM 1171 N ALA A 76 -20.231 -11.056 -21.105 1.00 0.97 N ATOM 1172 CA ALA A 76 -19.831 -11.717 -22.343 1.00 0.98 C ATOM 1173 C ALA A 76 -19.923 -13.232 -22.209 1.00 0.91 C ATOM 1174 O ALA A 76 -20.470 -13.907 -23.075 1.00 0.97 O ATOM 1175 CB ALA A 76 -18.423 -11.307 -22.741 1.00 1.08 C ATOM 0 H ALA A 76 -19.477 -10.565 -20.624 1.00 0.97 H new ATOM 0 HA ALA A 76 -20.519 -11.401 -23.127 1.00 0.98 H new ATOM 0 HB1 ALA A 76 -18.145 -11.811 -23.666 1.00 1.08 H new ATOM 0 HB2 ALA A 76 -18.387 -10.228 -22.891 1.00 1.08 H new ATOM 0 HB3 ALA A 76 -17.726 -11.587 -21.952 1.00 1.08 H new ATOM 1181 N LEU A 77 -19.407 -13.759 -21.111 1.00 0.91 N ATOM 1182 CA LEU A 77 -19.414 -15.200 -20.887 1.00 0.97 C ATOM 1183 C LEU A 77 -20.830 -15.703 -20.622 1.00 1.04 C ATOM 1184 O LEU A 77 -21.155 -16.858 -20.907 1.00 1.11 O ATOM 1185 CB LEU A 77 -18.492 -15.554 -19.721 1.00 1.15 C ATOM 1186 CG LEU A 77 -17.082 -14.969 -19.825 1.00 1.59 C ATOM 1187 CD1 LEU A 77 -16.546 -14.623 -18.450 1.00 2.41 C ATOM 1188 CD2 LEU A 77 -16.152 -15.937 -20.533 1.00 1.94 C ATOM 0 H LEU A 77 -18.979 -13.215 -20.362 1.00 0.91 H new ATOM 0 HA LEU A 77 -19.046 -15.691 -21.788 1.00 0.97 H new ATOM 0 HB2 LEU A 77 -18.949 -15.205 -18.795 1.00 1.15 H new ATOM 0 HB3 LEU A 77 -18.417 -16.639 -19.651 1.00 1.15 H new ATOM 0 HG LEU A 77 -17.134 -14.053 -20.413 1.00 1.59 H new ATOM 0 HD11 LEU A 77 -15.542 -14.208 -18.544 1.00 2.41 H new ATOM 0 HD12 LEU A 77 -17.199 -13.888 -17.979 1.00 2.41 H new ATOM 0 HD13 LEU A 77 -16.510 -15.523 -17.836 1.00 2.41 H new ATOM 0 HD21 LEU A 77 -15.154 -15.502 -20.597 1.00 1.94 H new ATOM 0 HD22 LEU A 77 -16.106 -16.872 -19.974 1.00 1.94 H new ATOM 0 HD23 LEU A 77 -16.527 -16.133 -21.537 1.00 1.94 H new ATOM 1200 N ALA A 78 -21.671 -14.822 -20.093 1.00 1.13 N ATOM 1201 CA ALA A 78 -23.064 -15.148 -19.825 1.00 1.34 C ATOM 1202 C ALA A 78 -23.821 -15.416 -21.119 1.00 1.34 C ATOM 1203 O ALA A 78 -24.738 -16.235 -21.153 1.00 1.53 O ATOM 1204 CB ALA A 78 -23.727 -14.022 -19.049 1.00 1.57 C ATOM 0 H ALA A 78 -21.408 -13.869 -19.840 1.00 1.13 H new ATOM 0 HA ALA A 78 -23.091 -16.056 -19.223 1.00 1.34 H new ATOM 0 HB1 ALA A 78 -24.769 -14.278 -18.855 1.00 1.57 H new ATOM 0 HB2 ALA A 78 -23.206 -13.877 -18.102 1.00 1.57 H new ATOM 0 HB3 ALA A 78 -23.682 -13.102 -19.632 1.00 1.57 H new ATOM 1210 N GLN A 79 -23.429 -14.731 -22.188 1.00 1.27 N ATOM 1211 CA GLN A 79 -24.057 -14.934 -23.486 1.00 1.42 C ATOM 1212 C GLN A 79 -23.230 -15.893 -24.337 1.00 1.44 C ATOM 1213 O GLN A 79 -23.421 -15.987 -25.549 1.00 1.79 O ATOM 1214 CB GLN A 79 -24.251 -13.602 -24.224 1.00 1.53 C ATOM 1215 CG GLN A 79 -23.014 -12.719 -24.238 1.00 1.65 C ATOM 1216 CD GLN A 79 -22.927 -11.834 -25.466 1.00 2.19 C ATOM 1217 OE1 GLN A 79 -22.019 -11.975 -26.286 1.00 2.63 O ATOM 1218 NE2 GLN A 79 -23.865 -10.911 -25.600 1.00 2.74 N ATOM 0 H GLN A 79 -22.684 -14.035 -22.181 1.00 1.27 H new ATOM 0 HA GLN A 79 -25.040 -15.373 -23.315 1.00 1.42 H new ATOM 0 HB2 GLN A 79 -24.550 -13.808 -25.252 1.00 1.53 H new ATOM 0 HB3 GLN A 79 -25.070 -13.055 -23.757 1.00 1.53 H new ATOM 0 HG2 GLN A 79 -23.012 -12.093 -23.346 1.00 1.65 H new ATOM 0 HG3 GLN A 79 -22.125 -13.348 -24.188 1.00 1.65 H new ATOM 0 HE21 GLN A 79 -24.601 -10.826 -24.899 1.00 2.74 H new ATOM 0 HE22 GLN A 79 -23.853 -10.284 -26.405 1.00 2.74 H new ATOM 1227 N TYR A 80 -22.307 -16.602 -23.697 1.00 1.23 N ATOM 1228 CA TYR A 80 -21.488 -17.588 -24.392 1.00 1.38 C ATOM 1229 C TYR A 80 -21.694 -18.977 -23.794 1.00 1.39 C ATOM 1230 O TYR A 80 -22.463 -19.787 -24.315 1.00 1.59 O ATOM 1231 CB TYR A 80 -20.002 -17.212 -24.319 1.00 1.43 C ATOM 1232 CG TYR A 80 -19.602 -16.060 -25.221 1.00 1.68 C ATOM 1233 CD1 TYR A 80 -20.369 -15.727 -26.332 1.00 2.06 C ATOM 1234 CD2 TYR A 80 -18.458 -15.315 -24.969 1.00 1.83 C ATOM 1235 CE1 TYR A 80 -20.002 -14.687 -27.164 1.00 2.42 C ATOM 1236 CE2 TYR A 80 -18.087 -14.273 -25.795 1.00 2.18 C ATOM 1237 CZ TYR A 80 -18.875 -13.934 -26.858 1.00 2.42 C ATOM 1238 OH TYR A 80 -18.487 -12.928 -27.720 1.00 2.85 O ATOM 0 H TYR A 80 -22.107 -16.513 -22.701 1.00 1.23 H new ATOM 0 HA TYR A 80 -21.798 -17.601 -25.437 1.00 1.38 H new ATOM 0 HB2 TYR A 80 -19.755 -16.954 -23.289 1.00 1.43 H new ATOM 0 HB3 TYR A 80 -19.405 -18.086 -24.580 1.00 1.43 H new ATOM 0 HD1 TYR A 80 -21.265 -16.290 -26.548 1.00 2.06 H new ATOM 0 HD2 TYR A 80 -17.847 -15.555 -24.111 1.00 1.83 H new ATOM 0 HE1 TYR A 80 -20.586 -14.461 -28.044 1.00 2.42 H new ATOM 0 HE2 TYR A 80 -17.176 -13.727 -25.601 1.00 2.18 H new ATOM 0 HH TYR A 80 -17.683 -12.490 -27.371 1.00 2.85 H new ATOM 1248 N VAL A 81 -21.023 -19.230 -22.676 1.00 1.29 N ATOM 1249 CA VAL A 81 -21.030 -20.545 -22.047 1.00 1.39 C ATOM 1250 C VAL A 81 -22.346 -20.809 -21.323 1.00 1.35 C ATOM 1251 O VAL A 81 -22.841 -21.935 -21.310 1.00 1.49 O ATOM 1252 CB VAL A 81 -19.864 -20.695 -21.043 1.00 1.56 C ATOM 1253 CG1 VAL A 81 -19.607 -22.161 -20.726 1.00 2.13 C ATOM 1254 CG2 VAL A 81 -18.599 -20.034 -21.575 1.00 1.72 C ATOM 0 H VAL A 81 -20.463 -18.535 -22.183 1.00 1.29 H new ATOM 0 HA VAL A 81 -20.910 -21.275 -22.847 1.00 1.39 H new ATOM 0 HB VAL A 81 -20.150 -20.190 -20.120 1.00 1.56 H new ATOM 0 HG11 VAL A 81 -18.782 -22.241 -20.018 1.00 2.13 H new ATOM 0 HG12 VAL A 81 -20.504 -22.602 -20.290 1.00 2.13 H new ATOM 0 HG13 VAL A 81 -19.351 -22.692 -21.643 1.00 2.13 H new ATOM 0 HG21 VAL A 81 -17.794 -20.153 -20.850 1.00 1.72 H new ATOM 0 HG22 VAL A 81 -18.312 -20.502 -22.517 1.00 1.72 H new ATOM 0 HG23 VAL A 81 -18.785 -18.973 -21.739 1.00 1.72 H new ATOM 1264 N ALA A 82 -22.916 -19.765 -20.734 1.00 1.42 N ATOM 1265 CA ALA A 82 -24.139 -19.907 -19.949 1.00 1.52 C ATOM 1266 C ALA A 82 -25.337 -20.239 -20.835 1.00 1.59 C ATOM 1267 O ALA A 82 -26.288 -20.879 -20.390 1.00 1.90 O ATOM 1268 CB ALA A 82 -24.402 -18.644 -19.146 1.00 1.66 C ATOM 0 H ALA A 82 -22.553 -18.813 -20.784 1.00 1.42 H new ATOM 0 HA ALA A 82 -23.998 -20.739 -19.259 1.00 1.52 H new ATOM 0 HB1 ALA A 82 -25.317 -18.765 -18.566 1.00 1.66 H new ATOM 0 HB2 ALA A 82 -23.566 -18.461 -18.471 1.00 1.66 H new ATOM 0 HB3 ALA A 82 -24.512 -17.798 -19.824 1.00 1.66 H new ATOM 1274 N THR A 83 -25.287 -19.800 -22.083 1.00 1.64 N ATOM 1275 CA THR A 83 -26.348 -20.088 -23.034 1.00 1.83 C ATOM 1276 C THR A 83 -26.067 -21.385 -23.783 1.00 2.01 C ATOM 1277 O THR A 83 -26.983 -22.011 -24.321 1.00 2.41 O ATOM 1278 CB THR A 83 -26.489 -18.940 -24.042 1.00 2.14 C ATOM 1279 OG1 THR A 83 -25.258 -18.208 -24.105 1.00 2.59 O ATOM 1280 CG2 THR A 83 -27.617 -18.004 -23.641 1.00 2.65 C ATOM 0 H THR A 83 -24.521 -19.242 -22.461 1.00 1.64 H new ATOM 0 HA THR A 83 -27.278 -20.196 -22.475 1.00 1.83 H new ATOM 0 HB THR A 83 -26.721 -19.362 -25.020 1.00 2.14 H new ATOM 0 HG1 THR A 83 -25.284 -17.589 -24.865 1.00 2.59 H new ATOM 0 HG21 THR A 83 -27.698 -17.198 -24.370 1.00 2.65 H new ATOM 0 HG22 THR A 83 -28.555 -18.558 -23.607 1.00 2.65 H new ATOM 0 HG23 THR A 83 -27.408 -17.583 -22.657 1.00 2.65 H new ATOM 1288 N ARG A 84 -24.792 -21.772 -23.803 1.00 2.19 N ATOM 1289 CA ARG A 84 -24.330 -22.993 -24.467 1.00 2.75 C ATOM 1290 C ARG A 84 -24.401 -22.862 -25.990 1.00 3.36 C ATOM 1291 O ARG A 84 -23.372 -22.722 -26.651 1.00 4.13 O ATOM 1292 CB ARG A 84 -25.122 -24.218 -23.993 1.00 3.41 C ATOM 1293 CG ARG A 84 -24.337 -25.121 -23.060 1.00 3.80 C ATOM 1294 CD ARG A 84 -24.463 -26.580 -23.459 1.00 4.57 C ATOM 1295 NE ARG A 84 -23.283 -27.060 -24.175 1.00 5.32 N ATOM 1296 CZ ARG A 84 -22.819 -28.307 -24.100 1.00 6.20 C ATOM 1297 NH1 ARG A 84 -23.432 -29.213 -23.345 1.00 6.48 N ATOM 1298 NH2 ARG A 84 -21.736 -28.641 -24.780 1.00 7.09 N ATOM 0 H ARG A 84 -24.043 -21.243 -23.355 1.00 2.19 H new ATOM 0 HA ARG A 84 -23.286 -23.136 -24.190 1.00 2.75 H new ATOM 0 HB2 ARG A 84 -26.026 -23.882 -23.485 1.00 3.41 H new ATOM 0 HB3 ARG A 84 -25.439 -24.794 -24.862 1.00 3.41 H new ATOM 0 HG2 ARG A 84 -23.287 -24.830 -23.069 1.00 3.80 H new ATOM 0 HG3 ARG A 84 -24.695 -24.990 -22.039 1.00 3.80 H new ATOM 0 HD2 ARG A 84 -24.616 -27.187 -22.567 1.00 4.57 H new ATOM 0 HD3 ARG A 84 -25.344 -26.708 -24.087 1.00 4.57 H new ATOM 0 HE ARG A 84 -22.783 -26.399 -24.770 1.00 5.32 H new ATOM 0 HH11 ARG A 84 -24.266 -28.956 -22.816 1.00 6.48 H new ATOM 0 HH12 ARG A 84 -23.069 -30.165 -23.294 1.00 6.48 H new ATOM 0 HH21 ARG A 84 -21.262 -27.946 -25.357 1.00 7.09 H new ATOM 0 HH22 ARG A 84 -21.375 -29.593 -24.728 1.00 7.09 H new ATOM 1312 N SER A 85 -25.607 -22.904 -26.539 1.00 3.58 N ATOM 1313 CA SER A 85 -25.794 -22.822 -27.977 1.00 4.69 C ATOM 1314 C SER A 85 -25.388 -21.446 -28.500 1.00 5.43 C ATOM 1315 O SER A 85 -24.577 -21.386 -29.451 1.00 5.80 O ATOM 1316 CB SER A 85 -27.250 -23.116 -28.328 1.00 5.10 C ATOM 1317 OG SER A 85 -27.895 -23.821 -27.275 1.00 4.66 O ATOM 1318 OXT SER A 85 -25.866 -20.430 -27.948 1.00 5.98 O ATOM 0 H SER A 85 -26.472 -22.995 -26.006 1.00 3.58 H new ATOM 0 HA SER A 85 -25.156 -23.566 -28.454 1.00 4.69 H new ATOM 0 HB2 SER A 85 -27.777 -22.182 -28.521 1.00 5.10 H new ATOM 0 HB3 SER A 85 -27.295 -23.703 -29.245 1.00 5.10 H new ATOM 0 HG SER A 85 -28.827 -23.997 -27.522 1.00 4.66 H new TER 1324 SER A 85