USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 833 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 31 LYS NZ :NH3+ -112:sc= 0.57 (180deg=-1.14) USER MOD Set 1.2: A 57 GLN :FLIP amide:sc=-0.00995 F(o=0.27,f=1.1) USER MOD Set 1.3: A 59 CYS SG : rot 37:sc= 0.75 USER MOD Set 1.4: A 61 SER OG : rot 140:sc= -0.2 USER MOD Set 2.1: A 1 MET N :NH3+ -154:sc= -0.211 (180deg=-0.924) USER MOD Set 2.2: A 4 GLN : amide:sc= 0 X(o=-0.21,f=-0.23) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 60:sc= 0.341 USER MOD Single : A 7 ASN : amide:sc= -0.429 K(o=-0.43,f=-1) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -125:sc= -0.102 (180deg=-1.48!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0726 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.0319 X(o=-0.032,f=-0.18) USER MOD Single : A 25 SER OG : rot -54:sc= 0.829 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0108) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0303 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc=-0.00309 X(o=-0.0031,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0722 USER MOD Single : A 51 SER OG : rot -45:sc= 1.14 USER MOD Single : A 52 HIS : no HD1:sc= -0.0924 K(o=-0.092,f=-0.68) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0327 X(o=-0.033,f=-0.12) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0623 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 85 ASN : amide:sc= -0.0156 X(o=-0.016,f=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -9:sc= 1.01 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.354 X(o=-0.35,f=-0.52) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -150:sc=-0.00705 (180deg=-0.527) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.330 -4.418 -4.532 1.00 1.33 N ATOM 2 CA MET A 1 -2.890 -4.289 -4.332 1.00 73.24 C ATOM 3 C MET A 1 -2.129 -4.709 -5.586 1.00 41.54 C ATOM 4 O MET A 1 -1.174 -4.048 -5.993 1.00 12.03 O ATOM 5 CB MET A 1 -2.441 -5.137 -3.141 1.00 51.34 C ATOM 6 CG MET A 1 -3.336 -4.993 -1.921 1.00 11.20 C ATOM 7 SD MET A 1 -2.819 -6.046 -0.552 1.00 60.44 S ATOM 8 CE MET A 1 -4.399 -6.685 -0.001 1.00 21.51 C ATOM 0 H1 MET A 1 -4.828 -3.755 -3.904 1.00 1.33 H new ATOM 0 H2 MET A 1 -4.564 -4.200 -5.522 1.00 1.33 H new ATOM 0 H3 MET A 1 -4.625 -5.391 -4.313 1.00 1.33 H new ATOM 0 HA MET A 1 -2.668 -3.242 -4.126 1.00 73.24 H new ATOM 0 HB2 MET A 1 -2.415 -6.185 -3.441 1.00 51.34 H new ATOM 0 HB3 MET A 1 -1.423 -4.858 -2.870 1.00 51.34 H new ATOM 0 HG2 MET A 1 -3.334 -3.953 -1.595 1.00 11.20 H new ATOM 0 HG3 MET A 1 -4.361 -5.239 -2.196 1.00 11.20 H new ATOM 0 HE1 MET A 1 -4.245 -7.355 0.845 1.00 21.51 H new ATOM 0 HE2 MET A 1 -5.040 -5.858 0.304 1.00 21.51 H new ATOM 0 HE3 MET A 1 -4.875 -7.231 -0.815 1.00 21.51 H new ATOM 18 N GLN A 2 -2.559 -5.810 -6.193 1.00 54.04 N ATOM 19 CA GLN A 2 -1.917 -6.317 -7.400 1.00 11.13 C ATOM 20 C GLN A 2 -2.898 -6.349 -8.568 1.00 15.03 C ATOM 21 O GLN A 2 -4.027 -6.818 -8.428 1.00 24.01 O ATOM 22 CB GLN A 2 -1.354 -7.718 -7.153 1.00 44.02 C ATOM 23 CG GLN A 2 -0.198 -7.744 -6.166 1.00 63.11 C ATOM 24 CD GLN A 2 0.727 -8.926 -6.382 1.00 43.44 C ATOM 25 OE1 GLN A 2 1.592 -8.899 -7.258 1.00 74.52 O ATOM 26 NE2 GLN A 2 0.551 -9.970 -5.581 1.00 51.15 N ATOM 0 H GLN A 2 -3.349 -6.368 -5.869 1.00 54.04 H new ATOM 0 HA GLN A 2 -1.099 -5.644 -7.656 1.00 11.13 H new ATOM 0 HB2 GLN A 2 -2.152 -8.361 -6.782 1.00 44.02 H new ATOM 0 HB3 GLN A 2 -1.021 -8.139 -8.102 1.00 44.02 H new ATOM 0 HG2 GLN A 2 0.373 -6.820 -6.256 1.00 63.11 H new ATOM 0 HG3 GLN A 2 -0.593 -7.777 -5.151 1.00 63.11 H new ATOM 0 HE21 GLN A 2 -0.179 -9.949 -4.868 1.00 51.15 H new ATOM 0 HE22 GLN A 2 1.145 -10.793 -5.678 1.00 51.15 H new ATOM 35 N GLU A 3 -2.458 -5.847 -9.717 1.00 53.24 N ATOM 36 CA GLU A 3 -3.300 -5.817 -10.907 1.00 73.15 C ATOM 37 C GLU A 3 -4.619 -5.105 -10.624 1.00 55.15 C ATOM 38 O GLU A 3 -5.695 -5.675 -10.805 1.00 65.24 O ATOM 39 CB GLU A 3 -3.572 -7.240 -11.402 1.00 65.45 C ATOM 40 CG GLU A 3 -2.391 -7.871 -12.120 1.00 24.23 C ATOM 41 CD GLU A 3 -1.236 -8.175 -11.185 1.00 70.22 C ATOM 42 OE1 GLU A 3 -1.434 -8.961 -10.235 1.00 63.51 O ATOM 43 OE2 GLU A 3 -0.134 -7.629 -11.404 1.00 52.53 O ATOM 0 H GLU A 3 -1.525 -5.456 -9.849 1.00 53.24 H new ATOM 0 HA GLU A 3 -2.769 -5.265 -11.682 1.00 73.15 H new ATOM 0 HB2 GLU A 3 -3.846 -7.865 -10.552 1.00 65.45 H new ATOM 0 HB3 GLU A 3 -4.429 -7.224 -12.075 1.00 65.45 H new ATOM 0 HG2 GLU A 3 -2.715 -8.793 -12.604 1.00 24.23 H new ATOM 0 HG3 GLU A 3 -2.049 -7.200 -12.908 1.00 24.23 H new ATOM 50 N GLN A 4 -4.527 -3.857 -10.178 1.00 5.33 N ATOM 51 CA GLN A 4 -5.712 -3.066 -9.868 1.00 71.21 C ATOM 52 C GLN A 4 -6.350 -2.519 -11.141 1.00 42.21 C ATOM 53 O GLN A 4 -5.666 -2.280 -12.136 1.00 53.12 O ATOM 54 CB GLN A 4 -5.353 -1.914 -8.928 1.00 25.45 C ATOM 55 CG GLN A 4 -4.693 -2.368 -7.636 1.00 11.05 C ATOM 56 CD GLN A 4 -4.353 -1.211 -6.717 1.00 32.24 C ATOM 57 OE1 GLN A 4 -3.521 -0.366 -7.048 1.00 3.53 O ATOM 58 NE2 GLN A 4 -4.996 -1.168 -5.556 1.00 44.31 N ATOM 0 H GLN A 4 -3.644 -3.371 -10.023 1.00 5.33 H new ATOM 0 HA GLN A 4 -6.432 -3.718 -9.373 1.00 71.21 H new ATOM 0 HB2 GLN A 4 -4.684 -1.228 -9.447 1.00 25.45 H new ATOM 0 HB3 GLN A 4 -6.258 -1.356 -8.688 1.00 25.45 H new ATOM 0 HG2 GLN A 4 -5.358 -3.057 -7.115 1.00 11.05 H new ATOM 0 HG3 GLN A 4 -3.783 -2.920 -7.872 1.00 11.05 H new ATOM 0 HE21 GLN A 4 -5.678 -1.890 -5.324 1.00 44.31 H new ATOM 0 HE22 GLN A 4 -4.808 -0.413 -4.897 1.00 44.31 H new ATOM 67 N VAL A 5 -7.664 -2.323 -11.102 1.00 35.11 N ATOM 68 CA VAL A 5 -8.394 -1.804 -12.252 1.00 51.14 C ATOM 69 C VAL A 5 -9.526 -0.881 -11.814 1.00 23.32 C ATOM 70 O VAL A 5 -10.109 -1.063 -10.745 1.00 14.21 O ATOM 71 CB VAL A 5 -8.978 -2.943 -13.109 1.00 2.23 C ATOM 72 CG1 VAL A 5 -9.574 -2.393 -14.395 1.00 53.43 C ATOM 73 CG2 VAL A 5 -7.909 -3.983 -13.410 1.00 31.13 C ATOM 0 H VAL A 5 -8.245 -2.516 -10.286 1.00 35.11 H new ATOM 0 HA VAL A 5 -7.679 -1.239 -12.851 1.00 51.14 H new ATOM 0 HB VAL A 5 -9.776 -3.426 -12.545 1.00 2.23 H new ATOM 0 HG11 VAL A 5 -9.981 -3.213 -14.987 1.00 53.43 H new ATOM 0 HG12 VAL A 5 -10.370 -1.688 -14.155 1.00 53.43 H new ATOM 0 HG13 VAL A 5 -8.798 -1.883 -14.967 1.00 53.43 H new ATOM 0 HG21 VAL A 5 -8.338 -4.781 -14.016 1.00 31.13 H new ATOM 0 HG22 VAL A 5 -7.089 -3.515 -13.954 1.00 31.13 H new ATOM 0 HG23 VAL A 5 -7.533 -4.400 -12.475 1.00 31.13 H new ATOM 83 N SER A 6 -9.832 0.109 -12.647 1.00 30.13 N ATOM 84 CA SER A 6 -10.893 1.062 -12.343 1.00 64.12 C ATOM 85 C SER A 6 -12.217 0.613 -12.953 1.00 30.30 C ATOM 86 O SER A 6 -12.938 1.409 -13.553 1.00 42.35 O ATOM 87 CB SER A 6 -10.523 2.452 -12.866 1.00 62.00 C ATOM 88 OG SER A 6 -10.561 2.492 -14.282 1.00 32.34 O ATOM 0 H SER A 6 -9.361 0.272 -13.537 1.00 30.13 H new ATOM 0 HA SER A 6 -11.009 1.107 -11.260 1.00 64.12 H new ATOM 0 HB2 SER A 6 -11.213 3.192 -12.460 1.00 62.00 H new ATOM 0 HB3 SER A 6 -9.526 2.721 -12.518 1.00 62.00 H new ATOM 0 HG SER A 6 -11.466 2.277 -14.591 1.00 32.34 H new ATOM 94 N ASN A 7 -12.530 -0.669 -12.795 1.00 42.01 N ATOM 95 CA ASN A 7 -13.767 -1.225 -13.330 1.00 73.45 C ATOM 96 C ASN A 7 -14.267 -2.375 -12.461 1.00 14.33 C ATOM 97 O ASN A 7 -13.564 -2.841 -11.565 1.00 32.42 O ATOM 98 CB ASN A 7 -13.554 -1.711 -14.765 1.00 64.52 C ATOM 99 CG ASN A 7 -13.355 -0.567 -15.740 1.00 24.02 C ATOM 100 OD1 ASN A 7 -12.245 -0.056 -15.897 1.00 22.22 O ATOM 101 ND2 ASN A 7 -14.432 -0.158 -16.401 1.00 3.23 N ATOM 0 H ASN A 7 -11.944 -1.342 -12.301 1.00 42.01 H new ATOM 0 HA ASN A 7 -14.520 -0.437 -13.328 1.00 73.45 H new ATOM 0 HB2 ASN A 7 -12.685 -2.368 -14.798 1.00 64.52 H new ATOM 0 HB3 ASN A 7 -14.414 -2.304 -15.076 1.00 64.52 H new ATOM 0 HD21 ASN A 7 -14.359 0.608 -17.070 1.00 3.23 H new ATOM 0 HD22 ASN A 7 -15.332 -0.610 -16.240 1.00 3.23 H new ATOM 108 N VAL A 8 -15.487 -2.828 -12.733 1.00 30.50 N ATOM 109 CA VAL A 8 -16.081 -3.925 -11.977 1.00 55.52 C ATOM 110 C VAL A 8 -15.488 -5.265 -12.396 1.00 0.42 C ATOM 111 O VAL A 8 -14.931 -5.396 -13.486 1.00 10.34 O ATOM 112 CB VAL A 8 -17.609 -3.971 -12.163 1.00 53.14 C ATOM 113 CG1 VAL A 8 -18.236 -2.641 -11.772 1.00 62.11 C ATOM 114 CG2 VAL A 8 -17.960 -4.333 -13.599 1.00 52.21 C ATOM 0 H VAL A 8 -16.083 -2.453 -13.471 1.00 30.50 H new ATOM 0 HA VAL A 8 -15.856 -3.744 -10.926 1.00 55.52 H new ATOM 0 HB VAL A 8 -18.014 -4.742 -11.508 1.00 53.14 H new ATOM 0 HG11 VAL A 8 -19.316 -2.693 -11.910 1.00 62.11 H new ATOM 0 HG12 VAL A 8 -18.014 -2.427 -10.726 1.00 62.11 H new ATOM 0 HG13 VAL A 8 -17.828 -1.848 -12.399 1.00 62.11 H new ATOM 0 HG21 VAL A 8 -19.044 -4.361 -13.713 1.00 52.21 H new ATOM 0 HG22 VAL A 8 -17.543 -3.586 -14.275 1.00 52.21 H new ATOM 0 HG23 VAL A 8 -17.545 -5.312 -13.839 1.00 52.21 H new ATOM 124 N ARG A 9 -15.613 -6.259 -11.522 1.00 21.53 N ATOM 125 CA ARG A 9 -15.088 -7.591 -11.801 1.00 4.23 C ATOM 126 C ARG A 9 -16.196 -8.637 -11.728 1.00 70.34 C ATOM 127 O ARG A 9 -17.192 -8.453 -11.030 1.00 75.42 O ATOM 128 CB ARG A 9 -13.976 -7.941 -10.811 1.00 2.30 C ATOM 129 CG ARG A 9 -14.395 -7.819 -9.355 1.00 30.14 C ATOM 130 CD ARG A 9 -14.132 -6.422 -8.814 1.00 0.02 C ATOM 131 NE ARG A 9 -13.971 -6.419 -7.362 1.00 43.24 N ATOM 132 CZ ARG A 9 -12.895 -6.888 -6.742 1.00 12.43 C ATOM 133 NH1 ARG A 9 -11.890 -7.396 -7.441 1.00 15.12 N ATOM 134 NH2 ARG A 9 -12.822 -6.850 -5.417 1.00 15.11 N ATOM 0 H ARG A 9 -16.073 -6.167 -10.616 1.00 21.53 H new ATOM 0 HA ARG A 9 -14.679 -7.589 -12.811 1.00 4.23 H new ATOM 0 HB2 ARG A 9 -13.641 -8.961 -11.000 1.00 2.30 H new ATOM 0 HB3 ARG A 9 -13.123 -7.287 -10.991 1.00 2.30 H new ATOM 0 HG2 ARG A 9 -15.455 -8.054 -9.260 1.00 30.14 H new ATOM 0 HG3 ARG A 9 -13.852 -8.550 -8.757 1.00 30.14 H new ATOM 0 HD2 ARG A 9 -13.234 -6.016 -9.279 1.00 0.02 H new ATOM 0 HD3 ARG A 9 -14.958 -5.765 -9.089 1.00 0.02 H new ATOM 0 HE ARG A 9 -14.726 -6.036 -6.794 1.00 43.24 H new ATOM 0 HH11 ARG A 9 -11.942 -7.428 -8.459 1.00 15.12 H new ATOM 0 HH12 ARG A 9 -11.065 -7.755 -6.961 1.00 15.12 H new ATOM 0 HH21 ARG A 9 -13.593 -6.460 -4.875 1.00 15.11 H new ATOM 0 HH22 ARG A 9 -11.995 -7.211 -4.941 1.00 15.11 H new ATOM 148 N ALA A 10 -16.015 -9.735 -12.456 1.00 5.13 N ATOM 149 CA ALA A 10 -16.997 -10.811 -12.474 1.00 3.40 C ATOM 150 C ALA A 10 -16.524 -12.000 -11.645 1.00 3.11 C ATOM 151 O ALA A 10 -15.419 -12.507 -11.843 1.00 45.14 O ATOM 152 CB ALA A 10 -17.282 -11.242 -13.905 1.00 74.21 C ATOM 0 H ALA A 10 -15.196 -9.902 -13.041 1.00 5.13 H new ATOM 0 HA ALA A 10 -17.919 -10.436 -12.029 1.00 3.40 H new ATOM 0 HB1 ALA A 10 -18.017 -12.047 -13.903 1.00 74.21 H new ATOM 0 HB2 ALA A 10 -17.672 -10.395 -14.469 1.00 74.21 H new ATOM 0 HB3 ALA A 10 -16.361 -11.594 -14.369 1.00 74.21 H new ATOM 158 N ARG A 11 -17.366 -12.441 -10.716 1.00 41.20 N ATOM 159 CA ARG A 11 -17.032 -13.571 -9.856 1.00 50.54 C ATOM 160 C ARG A 11 -17.809 -14.816 -10.269 1.00 55.12 C ATOM 161 O ARG A 11 -19.001 -14.939 -9.983 1.00 75.01 O ATOM 162 CB ARG A 11 -17.330 -13.231 -8.394 1.00 64.02 C ATOM 163 CG ARG A 11 -16.532 -12.048 -7.870 1.00 24.23 C ATOM 164 CD ARG A 11 -16.339 -12.130 -6.364 1.00 32.15 C ATOM 165 NE ARG A 11 -15.894 -10.860 -5.797 1.00 71.44 N ATOM 166 CZ ARG A 11 -16.016 -10.544 -4.513 1.00 35.25 C ATOM 167 NH1 ARG A 11 -16.565 -11.403 -3.665 1.00 54.21 N ATOM 168 NH2 ARG A 11 -15.587 -9.368 -4.074 1.00 4.22 N ATOM 0 H ARG A 11 -18.284 -12.033 -10.539 1.00 41.20 H new ATOM 0 HA ARG A 11 -15.967 -13.777 -9.964 1.00 50.54 H new ATOM 0 HB2 ARG A 11 -18.393 -13.016 -8.289 1.00 64.02 H new ATOM 0 HB3 ARG A 11 -17.118 -14.104 -7.776 1.00 64.02 H new ATOM 0 HG2 ARG A 11 -15.560 -12.017 -8.361 1.00 24.23 H new ATOM 0 HG3 ARG A 11 -17.046 -11.120 -8.122 1.00 24.23 H new ATOM 0 HD2 ARG A 11 -17.277 -12.427 -5.895 1.00 32.15 H new ATOM 0 HD3 ARG A 11 -15.608 -12.905 -6.134 1.00 32.15 H new ATOM 0 HE ARG A 11 -15.465 -10.177 -6.422 1.00 71.44 H new ATOM 0 HH11 ARG A 11 -16.895 -12.309 -3.999 1.00 54.21 H new ATOM 0 HH12 ARG A 11 -16.658 -11.158 -2.679 1.00 54.21 H new ATOM 0 HH21 ARG A 11 -15.163 -8.705 -4.723 1.00 4.22 H new ATOM 0 HH22 ARG A 11 -15.681 -9.127 -3.087 1.00 4.22 H new ATOM 182 N ILE A 12 -17.128 -15.737 -10.942 1.00 42.22 N ATOM 183 CA ILE A 12 -17.755 -16.973 -11.393 1.00 0.14 C ATOM 184 C ILE A 12 -17.438 -18.127 -10.447 1.00 51.21 C ATOM 185 O ILE A 12 -16.292 -18.310 -10.037 1.00 62.41 O ATOM 186 CB ILE A 12 -17.299 -17.349 -12.815 1.00 75.52 C ATOM 187 CG1 ILE A 12 -17.642 -16.228 -13.798 1.00 31.33 C ATOM 188 CG2 ILE A 12 -17.944 -18.657 -13.250 1.00 11.23 C ATOM 189 CD1 ILE A 12 -16.823 -16.268 -15.070 1.00 15.41 C ATOM 0 H ILE A 12 -16.142 -15.651 -11.187 1.00 42.22 H new ATOM 0 HA ILE A 12 -18.831 -16.797 -11.400 1.00 0.14 H new ATOM 0 HB ILE A 12 -16.217 -17.484 -12.809 1.00 75.52 H new ATOM 0 HG12 ILE A 12 -18.700 -16.291 -14.054 1.00 31.33 H new ATOM 0 HG13 ILE A 12 -17.490 -15.267 -13.308 1.00 31.33 H new ATOM 0 HG21 ILE A 12 -17.612 -18.909 -14.257 1.00 11.23 H new ATOM 0 HG22 ILE A 12 -17.654 -19.452 -12.563 1.00 11.23 H new ATOM 0 HG23 ILE A 12 -19.029 -18.548 -13.242 1.00 11.23 H new ATOM 0 HD11 ILE A 12 -17.120 -15.445 -15.720 1.00 15.41 H new ATOM 0 HD12 ILE A 12 -15.765 -16.174 -14.825 1.00 15.41 H new ATOM 0 HD13 ILE A 12 -16.994 -17.215 -15.583 1.00 15.41 H new ATOM 201 N TYR A 13 -18.461 -18.904 -10.108 1.00 1.52 N ATOM 202 CA TYR A 13 -18.292 -20.040 -9.209 1.00 61.11 C ATOM 203 C TYR A 13 -19.117 -21.233 -9.680 1.00 70.23 C ATOM 204 O TYR A 13 -20.252 -21.080 -10.134 1.00 3.34 O ATOM 205 CB TYR A 13 -18.697 -19.656 -7.785 1.00 43.34 C ATOM 206 CG TYR A 13 -18.747 -20.829 -6.833 1.00 61.41 C ATOM 207 CD1 TYR A 13 -17.627 -21.624 -6.620 1.00 13.43 C ATOM 208 CD2 TYR A 13 -19.913 -21.142 -6.146 1.00 33.33 C ATOM 209 CE1 TYR A 13 -17.669 -22.697 -5.751 1.00 45.01 C ATOM 210 CE2 TYR A 13 -19.964 -22.213 -5.274 1.00 24.42 C ATOM 211 CZ TYR A 13 -18.838 -22.988 -5.080 1.00 50.13 C ATOM 212 OH TYR A 13 -18.883 -24.055 -4.213 1.00 63.12 O ATOM 0 H TYR A 13 -19.415 -18.768 -10.442 1.00 1.52 H new ATOM 0 HA TYR A 13 -17.239 -20.323 -9.216 1.00 61.11 H new ATOM 0 HB2 TYR A 13 -17.992 -18.918 -7.402 1.00 43.34 H new ATOM 0 HB3 TYR A 13 -19.676 -19.178 -7.811 1.00 43.34 H new ATOM 0 HD1 TYR A 13 -16.709 -21.399 -7.142 1.00 13.43 H new ATOM 0 HD2 TYR A 13 -20.795 -20.538 -6.296 1.00 33.33 H new ATOM 0 HE1 TYR A 13 -16.790 -23.305 -5.598 1.00 45.01 H new ATOM 0 HE2 TYR A 13 -20.879 -22.442 -4.748 1.00 24.42 H new ATOM 0 HH TYR A 13 -19.779 -24.121 -3.822 1.00 63.12 H new ATOM 222 N LYS A 14 -18.539 -22.425 -9.570 1.00 3.42 N ATOM 223 CA LYS A 14 -19.218 -23.647 -9.981 1.00 62.43 C ATOM 224 C LYS A 14 -19.604 -24.489 -8.770 1.00 15.22 C ATOM 225 O LYS A 14 -18.848 -25.347 -8.313 1.00 65.40 O ATOM 226 CB LYS A 14 -18.323 -24.462 -10.918 1.00 25.10 C ATOM 227 CG LYS A 14 -16.891 -24.591 -10.430 1.00 2.14 C ATOM 228 CD LYS A 14 -16.196 -25.793 -11.050 1.00 54.21 C ATOM 229 CE LYS A 14 -16.334 -27.029 -10.175 1.00 13.12 C ATOM 230 NZ LYS A 14 -15.249 -28.015 -10.433 1.00 63.01 N ATOM 0 H LYS A 14 -17.600 -22.570 -9.199 1.00 3.42 H new ATOM 0 HA LYS A 14 -20.128 -23.366 -10.511 1.00 62.43 H new ATOM 0 HB2 LYS A 14 -18.748 -25.458 -11.038 1.00 25.10 H new ATOM 0 HB3 LYS A 14 -18.322 -23.995 -11.903 1.00 25.10 H new ATOM 0 HG2 LYS A 14 -16.339 -23.684 -10.676 1.00 2.14 H new ATOM 0 HG3 LYS A 14 -16.883 -24.685 -9.344 1.00 2.14 H new ATOM 0 HD2 LYS A 14 -16.621 -25.993 -12.034 1.00 54.21 H new ATOM 0 HD3 LYS A 14 -15.140 -25.567 -11.199 1.00 54.21 H new ATOM 0 HE2 LYS A 14 -16.315 -26.735 -9.126 1.00 13.12 H new ATOM 0 HE3 LYS A 14 -17.301 -27.497 -10.358 1.00 13.12 H new ATOM 0 HZ1 LYS A 14 -15.667 -28.937 -10.670 1.00 63.01 H new ATOM 0 HZ2 LYS A 14 -14.663 -27.686 -11.227 1.00 63.01 H new ATOM 0 HZ3 LYS A 14 -14.658 -28.111 -9.583 1.00 63.01 H new ATOM 244 N PRO A 15 -20.810 -24.243 -8.237 1.00 53.24 N ATOM 245 CA PRO A 15 -21.324 -24.969 -7.073 1.00 35.13 C ATOM 246 C PRO A 15 -21.656 -26.422 -7.396 1.00 53.13 C ATOM 247 O PRO A 15 -21.683 -27.276 -6.510 1.00 42.35 O ATOM 248 CB PRO A 15 -22.595 -24.199 -6.706 1.00 30.11 C ATOM 249 CG PRO A 15 -23.027 -23.554 -7.978 1.00 45.33 C ATOM 250 CD PRO A 15 -21.764 -23.235 -8.729 1.00 40.25 C ATOM 0 HA PRO A 15 -20.591 -25.017 -6.267 1.00 35.13 H new ATOM 0 HB2 PRO A 15 -23.365 -24.867 -6.319 1.00 30.11 H new ATOM 0 HB3 PRO A 15 -22.399 -23.457 -5.932 1.00 30.11 H new ATOM 0 HG2 PRO A 15 -23.667 -24.221 -8.556 1.00 45.33 H new ATOM 0 HG3 PRO A 15 -23.603 -22.650 -7.781 1.00 45.33 H new ATOM 0 HD2 PRO A 15 -21.908 -23.310 -9.807 1.00 40.25 H new ATOM 0 HD3 PRO A 15 -21.419 -22.222 -8.523 1.00 40.25 H new ATOM 258 N ALA A 16 -21.909 -26.696 -8.672 1.00 61.00 N ATOM 259 CA ALA A 16 -22.237 -28.046 -9.113 1.00 70.53 C ATOM 260 C ALA A 16 -20.975 -28.873 -9.335 1.00 70.32 C ATOM 261 O ALA A 16 -20.066 -28.458 -10.054 1.00 70.45 O ATOM 262 CB ALA A 16 -23.069 -27.998 -10.386 1.00 32.00 C ATOM 0 H ALA A 16 -21.893 -26.001 -9.418 1.00 61.00 H new ATOM 0 HA ALA A 16 -22.821 -28.526 -8.328 1.00 70.53 H new ATOM 0 HB1 ALA A 16 -23.307 -29.013 -10.704 1.00 32.00 H new ATOM 0 HB2 ALA A 16 -23.993 -27.451 -10.196 1.00 32.00 H new ATOM 0 HB3 ALA A 16 -22.504 -27.495 -11.171 1.00 32.00 H new ATOM 268 N LYS A 17 -20.925 -30.046 -8.712 1.00 44.31 N ATOM 269 CA LYS A 17 -19.774 -30.932 -8.841 1.00 61.43 C ATOM 270 C LYS A 17 -20.099 -32.118 -9.744 1.00 12.22 C ATOM 271 O LYS A 17 -19.335 -32.449 -10.650 1.00 21.35 O ATOM 272 CB LYS A 17 -19.332 -31.432 -7.463 1.00 63.44 C ATOM 273 CG LYS A 17 -17.979 -32.122 -7.473 1.00 31.31 C ATOM 274 CD LYS A 17 -17.649 -32.719 -6.116 1.00 4.25 C ATOM 275 CE LYS A 17 -16.526 -33.741 -6.214 1.00 73.30 C ATOM 276 NZ LYS A 17 -17.035 -35.090 -6.585 1.00 23.41 N ATOM 0 H LYS A 17 -21.668 -30.405 -8.113 1.00 44.31 H new ATOM 0 HA LYS A 17 -18.960 -30.366 -9.293 1.00 61.43 H new ATOM 0 HB2 LYS A 17 -19.295 -30.588 -6.774 1.00 63.44 H new ATOM 0 HB3 LYS A 17 -20.081 -32.125 -7.079 1.00 63.44 H new ATOM 0 HG2 LYS A 17 -17.976 -32.908 -8.228 1.00 31.31 H new ATOM 0 HG3 LYS A 17 -17.206 -31.406 -7.755 1.00 31.31 H new ATOM 0 HD2 LYS A 17 -17.360 -31.924 -5.428 1.00 4.25 H new ATOM 0 HD3 LYS A 17 -18.538 -33.193 -5.700 1.00 4.25 H new ATOM 0 HE2 LYS A 17 -15.798 -33.411 -6.955 1.00 73.30 H new ATOM 0 HE3 LYS A 17 -16.004 -33.800 -5.259 1.00 73.30 H new ATOM 0 HZ1 LYS A 17 -16.240 -35.758 -6.642 1.00 23.41 H new ATOM 0 HZ2 LYS A 17 -17.710 -35.416 -5.865 1.00 23.41 H new ATOM 0 HZ3 LYS A 17 -17.511 -35.040 -7.508 1.00 23.41 H new ATOM 290 N SER A 18 -21.240 -32.752 -9.492 1.00 12.11 N ATOM 291 CA SER A 18 -21.666 -33.902 -10.280 1.00 25.14 C ATOM 292 C SER A 18 -22.866 -33.549 -11.154 1.00 14.33 C ATOM 293 O SER A 18 -23.423 -32.455 -11.051 1.00 40.01 O ATOM 294 CB SER A 18 -22.016 -35.075 -9.363 1.00 10.44 C ATOM 295 OG SER A 18 -22.782 -34.642 -8.252 1.00 73.42 O ATOM 0 H SER A 18 -21.886 -32.488 -8.748 1.00 12.11 H new ATOM 0 HA SER A 18 -20.839 -34.192 -10.929 1.00 25.14 H new ATOM 0 HB2 SER A 18 -22.574 -35.825 -9.923 1.00 10.44 H new ATOM 0 HB3 SER A 18 -21.101 -35.553 -9.014 1.00 10.44 H new ATOM 0 HG SER A 18 -22.995 -35.410 -7.682 1.00 73.42 H new ATOM 301 N THR A 19 -23.259 -34.483 -12.013 1.00 54.12 N ATOM 302 CA THR A 19 -24.393 -34.271 -12.905 1.00 4.10 C ATOM 303 C THR A 19 -25.703 -34.224 -12.128 1.00 54.44 C ATOM 304 O THR A 19 -25.853 -34.891 -11.105 1.00 75.05 O ATOM 305 CB THR A 19 -24.481 -35.378 -13.973 1.00 60.32 C ATOM 306 OG1 THR A 19 -23.981 -36.610 -13.444 1.00 33.12 O ATOM 307 CG2 THR A 19 -23.691 -34.996 -15.215 1.00 42.00 C ATOM 0 H THR A 19 -22.810 -35.393 -12.111 1.00 54.12 H new ATOM 0 HA THR A 19 -24.233 -33.312 -13.398 1.00 4.10 H new ATOM 0 HB THR A 19 -25.528 -35.501 -14.251 1.00 60.32 H new ATOM 0 HG1 THR A 19 -24.042 -37.309 -14.129 1.00 33.12 H new ATOM 0 HG21 THR A 19 -23.768 -35.793 -15.955 1.00 42.00 H new ATOM 0 HG22 THR A 19 -24.093 -34.073 -15.633 1.00 42.00 H new ATOM 0 HG23 THR A 19 -22.644 -34.848 -14.949 1.00 42.00 H new ATOM 315 N MET A 20 -26.650 -33.432 -12.622 1.00 3.11 N ATOM 316 CA MET A 20 -27.949 -33.300 -11.973 1.00 71.24 C ATOM 317 C MET A 20 -29.000 -34.147 -12.684 1.00 21.12 C ATOM 318 O MET A 20 -29.261 -33.960 -13.873 1.00 12.14 O ATOM 319 CB MET A 20 -28.388 -31.835 -11.954 1.00 41.31 C ATOM 320 CG MET A 20 -29.401 -31.517 -10.866 1.00 41.30 C ATOM 321 SD MET A 20 -28.653 -31.424 -9.227 1.00 52.15 S ATOM 322 CE MET A 20 -28.075 -29.729 -9.214 1.00 73.42 C ATOM 0 H MET A 20 -26.542 -32.873 -13.468 1.00 3.11 H new ATOM 0 HA MET A 20 -27.852 -33.656 -10.947 1.00 71.24 H new ATOM 0 HB2 MET A 20 -27.510 -31.203 -11.817 1.00 41.31 H new ATOM 0 HB3 MET A 20 -28.816 -31.580 -12.923 1.00 41.31 H new ATOM 0 HG2 MET A 20 -29.887 -30.568 -11.094 1.00 41.30 H new ATOM 0 HG3 MET A 20 -30.178 -32.281 -10.864 1.00 41.30 H new ATOM 0 HE1 MET A 20 -27.588 -29.518 -8.262 1.00 73.42 H new ATOM 0 HE2 MET A 20 -27.364 -29.581 -10.027 1.00 73.42 H new ATOM 0 HE3 MET A 20 -28.921 -29.055 -9.345 1.00 73.42 H new ATOM 332 N GLN A 21 -29.599 -35.079 -11.949 1.00 33.32 N ATOM 333 CA GLN A 21 -30.621 -35.955 -12.511 1.00 44.04 C ATOM 334 C GLN A 21 -32.005 -35.577 -11.996 1.00 11.51 C ATOM 335 O GLN A 21 -32.914 -35.297 -12.778 1.00 11.50 O ATOM 336 CB GLN A 21 -30.316 -37.414 -12.167 1.00 62.42 C ATOM 337 CG GLN A 21 -31.435 -38.373 -12.540 1.00 51.32 C ATOM 338 CD GLN A 21 -30.978 -39.818 -12.576 1.00 50.05 C ATOM 339 OE1 GLN A 21 -30.167 -40.246 -11.753 1.00 53.35 O ATOM 340 NE2 GLN A 21 -31.496 -40.579 -13.534 1.00 13.43 N ATOM 0 H GLN A 21 -29.394 -35.247 -10.964 1.00 33.32 H new ATOM 0 HA GLN A 21 -30.612 -35.835 -13.594 1.00 44.04 H new ATOM 0 HB2 GLN A 21 -29.403 -37.717 -12.680 1.00 62.42 H new ATOM 0 HB3 GLN A 21 -30.122 -37.494 -11.097 1.00 62.42 H new ATOM 0 HG2 GLN A 21 -32.249 -38.271 -11.823 1.00 51.32 H new ATOM 0 HG3 GLN A 21 -31.834 -38.098 -13.516 1.00 51.32 H new ATOM 0 HE21 GLN A 21 -32.165 -40.183 -14.194 1.00 13.43 H new ATOM 0 HE22 GLN A 21 -31.225 -41.559 -13.609 1.00 13.43 H new ATOM 349 N SER A 22 -32.159 -35.573 -10.676 1.00 40.52 N ATOM 350 CA SER A 22 -33.435 -35.233 -10.056 1.00 12.14 C ATOM 351 C SER A 22 -33.715 -33.738 -10.174 1.00 61.11 C ATOM 352 O SER A 22 -32.801 -32.937 -10.363 1.00 40.32 O ATOM 353 CB SER A 22 -33.437 -35.649 -8.584 1.00 35.53 C ATOM 354 OG SER A 22 -33.192 -37.038 -8.446 1.00 24.52 O ATOM 0 H SER A 22 -31.416 -35.801 -10.015 1.00 40.52 H new ATOM 0 HA SER A 22 -34.222 -35.775 -10.581 1.00 12.14 H new ATOM 0 HB2 SER A 22 -32.676 -35.087 -8.043 1.00 35.53 H new ATOM 0 HB3 SER A 22 -34.398 -35.400 -8.134 1.00 35.53 H new ATOM 0 HG SER A 22 -33.197 -37.278 -7.496 1.00 24.52 H new ATOM 360 N GLY A 23 -34.989 -33.371 -10.061 1.00 43.01 N ATOM 361 CA GLY A 23 -35.368 -31.974 -10.158 1.00 3.43 C ATOM 362 C GLY A 23 -35.720 -31.565 -11.574 1.00 5.53 C ATOM 363 O GLY A 23 -34.922 -31.743 -12.495 1.00 74.44 O ATOM 0 H GLY A 23 -35.764 -34.016 -9.904 1.00 43.01 H new ATOM 0 HA2 GLY A 23 -36.221 -31.786 -9.506 1.00 3.43 H new ATOM 0 HA3 GLY A 23 -34.548 -31.353 -9.797 1.00 3.43 H new ATOM 367 N HIS A 24 -36.918 -31.016 -11.750 1.00 40.23 N ATOM 368 CA HIS A 24 -37.374 -30.582 -13.065 1.00 64.32 C ATOM 369 C HIS A 24 -37.194 -29.077 -13.233 1.00 45.13 C ATOM 370 O HIS A 24 -36.973 -28.587 -14.342 1.00 20.02 O ATOM 371 CB HIS A 24 -38.842 -30.958 -13.269 1.00 11.41 C ATOM 372 CG HIS A 24 -39.249 -31.028 -14.709 1.00 3.31 C ATOM 373 ND1 HIS A 24 -38.530 -31.721 -15.660 1.00 72.13 N ATOM 374 CD2 HIS A 24 -40.306 -30.488 -15.358 1.00 55.34 C ATOM 375 CE1 HIS A 24 -39.128 -31.603 -16.832 1.00 75.15 C ATOM 376 NE2 HIS A 24 -40.209 -30.859 -16.676 1.00 72.50 N ATOM 0 H HIS A 24 -37.590 -30.861 -10.998 1.00 40.23 H new ATOM 0 HA HIS A 24 -36.769 -31.088 -13.817 1.00 64.32 H new ATOM 0 HB2 HIS A 24 -39.030 -31.924 -12.800 1.00 11.41 H new ATOM 0 HB3 HIS A 24 -39.470 -30.228 -12.758 1.00 11.41 H new ATOM 0 HD2 HIS A 24 -41.082 -29.878 -14.920 1.00 55.34 H new ATOM 0 HE1 HIS A 24 -38.791 -32.040 -17.760 1.00 75.15 H new ATOM 0 HE2 HIS A 24 -40.864 -30.602 -17.414 1.00 72.50 H new ATOM 384 N SER A 25 -37.290 -28.346 -12.127 1.00 23.33 N ATOM 385 CA SER A 25 -37.142 -26.896 -12.152 1.00 64.54 C ATOM 386 C SER A 25 -35.729 -26.487 -11.747 1.00 60.34 C ATOM 387 O SER A 25 -35.515 -25.403 -11.204 1.00 54.35 O ATOM 388 CB SER A 25 -38.162 -26.242 -11.219 1.00 51.43 C ATOM 389 OG SER A 25 -38.113 -24.829 -11.320 1.00 51.33 O ATOM 0 H SER A 25 -37.470 -28.735 -11.201 1.00 23.33 H new ATOM 0 HA SER A 25 -37.322 -26.555 -13.171 1.00 64.54 H new ATOM 0 HB2 SER A 25 -39.164 -26.593 -11.467 1.00 51.43 H new ATOM 0 HB3 SER A 25 -37.964 -26.543 -10.190 1.00 51.43 H new ATOM 0 HG SER A 25 -37.195 -24.522 -11.170 1.00 51.33 H new ATOM 395 N LYS A 26 -34.766 -27.362 -12.016 1.00 71.01 N ATOM 396 CA LYS A 26 -33.372 -27.094 -11.682 1.00 74.52 C ATOM 397 C LYS A 26 -32.524 -26.974 -12.944 1.00 11.20 C ATOM 398 O LYS A 26 -32.003 -27.968 -13.451 1.00 32.23 O ATOM 399 CB LYS A 26 -32.819 -28.206 -10.786 1.00 41.35 C ATOM 400 CG LYS A 26 -33.512 -28.302 -9.439 1.00 14.44 C ATOM 401 CD LYS A 26 -33.127 -27.147 -8.529 1.00 74.42 C ATOM 402 CE LYS A 26 -34.213 -26.859 -7.503 1.00 21.30 C ATOM 403 NZ LYS A 26 -34.244 -27.887 -6.426 1.00 31.43 N ATOM 0 H LYS A 26 -34.926 -28.264 -12.465 1.00 71.01 H new ATOM 0 HA LYS A 26 -33.328 -26.147 -11.145 1.00 74.52 H new ATOM 0 HB2 LYS A 26 -32.916 -29.160 -11.304 1.00 41.35 H new ATOM 0 HB3 LYS A 26 -31.754 -28.037 -10.626 1.00 41.35 H new ATOM 0 HG2 LYS A 26 -34.592 -28.307 -9.584 1.00 14.44 H new ATOM 0 HG3 LYS A 26 -33.250 -29.246 -8.961 1.00 14.44 H new ATOM 0 HD2 LYS A 26 -32.194 -27.382 -8.017 1.00 74.42 H new ATOM 0 HD3 LYS A 26 -32.946 -26.255 -9.129 1.00 74.42 H new ATOM 0 HE2 LYS A 26 -34.045 -25.876 -7.062 1.00 21.30 H new ATOM 0 HE3 LYS A 26 -35.182 -26.824 -8.000 1.00 21.30 H new ATOM 0 HZ1 LYS A 26 -34.997 -27.656 -5.747 1.00 31.43 H new ATOM 0 HZ2 LYS A 26 -34.429 -28.821 -6.843 1.00 31.43 H new ATOM 0 HZ3 LYS A 26 -33.327 -27.903 -5.935 1.00 31.43 H new ATOM 417 N LEU A 27 -32.388 -25.752 -13.446 1.00 13.21 N ATOM 418 CA LEU A 27 -31.601 -25.501 -14.648 1.00 50.15 C ATOM 419 C LEU A 27 -30.283 -24.816 -14.303 1.00 12.30 C ATOM 420 O LEU A 27 -29.233 -25.157 -14.846 1.00 45.33 O ATOM 421 CB LEU A 27 -32.396 -24.639 -15.631 1.00 10.53 C ATOM 422 CG LEU A 27 -33.816 -25.111 -15.941 1.00 51.23 C ATOM 423 CD1 LEU A 27 -34.545 -24.085 -16.796 1.00 71.41 C ATOM 424 CD2 LEU A 27 -33.789 -26.464 -16.636 1.00 62.43 C ATOM 0 H LEU A 27 -32.813 -24.919 -13.039 1.00 13.21 H new ATOM 0 HA LEU A 27 -31.378 -26.461 -15.114 1.00 50.15 H new ATOM 0 HB2 LEU A 27 -32.450 -23.626 -15.233 1.00 10.53 H new ATOM 0 HB3 LEU A 27 -31.840 -24.584 -16.567 1.00 10.53 H new ATOM 0 HG LEU A 27 -34.356 -25.219 -15.000 1.00 51.23 H new ATOM 0 HD11 LEU A 27 -35.554 -24.438 -17.007 1.00 71.41 H new ATOM 0 HD12 LEU A 27 -34.597 -23.137 -16.261 1.00 71.41 H new ATOM 0 HD13 LEU A 27 -34.007 -23.944 -17.733 1.00 71.41 H new ATOM 0 HD21 LEU A 27 -34.809 -26.784 -16.849 1.00 62.43 H new ATOM 0 HD22 LEU A 27 -33.232 -26.383 -17.569 1.00 62.43 H new ATOM 0 HD23 LEU A 27 -33.307 -27.196 -15.988 1.00 62.43 H new ATOM 436 N LYS A 28 -30.346 -23.848 -13.394 1.00 24.33 N ATOM 437 CA LYS A 28 -29.157 -23.117 -12.972 1.00 15.01 C ATOM 438 C LYS A 28 -28.052 -24.076 -12.540 1.00 53.31 C ATOM 439 O LYS A 28 -28.325 -25.154 -12.013 1.00 23.13 O ATOM 440 CB LYS A 28 -29.500 -22.165 -11.823 1.00 61.21 C ATOM 441 CG LYS A 28 -28.282 -21.525 -11.181 1.00 0.41 C ATOM 442 CD LYS A 28 -28.679 -20.531 -10.100 1.00 71.44 C ATOM 443 CE LYS A 28 -29.020 -21.234 -8.795 1.00 65.34 C ATOM 444 NZ LYS A 28 -27.796 -21.664 -8.062 1.00 14.31 N ATOM 0 H LYS A 28 -31.208 -23.552 -12.936 1.00 24.33 H new ATOM 0 HA LYS A 28 -28.797 -22.537 -13.822 1.00 15.01 H new ATOM 0 HB2 LYS A 28 -30.158 -21.380 -12.196 1.00 61.21 H new ATOM 0 HB3 LYS A 28 -30.056 -22.713 -11.062 1.00 61.21 H new ATOM 0 HG2 LYS A 28 -27.648 -22.299 -10.749 1.00 0.41 H new ATOM 0 HG3 LYS A 28 -27.691 -21.018 -11.944 1.00 0.41 H new ATOM 0 HD2 LYS A 28 -27.863 -19.828 -9.933 1.00 71.44 H new ATOM 0 HD3 LYS A 28 -29.537 -19.949 -10.436 1.00 71.44 H new ATOM 0 HE2 LYS A 28 -29.605 -20.565 -8.164 1.00 65.34 H new ATOM 0 HE3 LYS A 28 -29.644 -22.104 -9.003 1.00 65.34 H new ATOM 0 HZ1 LYS A 28 -28.066 -22.063 -7.140 1.00 14.31 H new ATOM 0 HZ2 LYS A 28 -27.294 -22.386 -8.618 1.00 14.31 H new ATOM 0 HZ3 LYS A 28 -27.173 -20.844 -7.916 1.00 14.31 H new ATOM 458 N ALA A 29 -26.806 -23.675 -12.765 1.00 41.40 N ATOM 459 CA ALA A 29 -25.660 -24.497 -12.395 1.00 11.20 C ATOM 460 C ALA A 29 -24.460 -23.632 -12.026 1.00 10.13 C ATOM 461 O ALA A 29 -23.755 -23.914 -11.057 1.00 50.21 O ATOM 462 CB ALA A 29 -25.302 -25.444 -13.531 1.00 1.51 C ATOM 0 H ALA A 29 -26.564 -22.786 -13.202 1.00 41.40 H new ATOM 0 HA ALA A 29 -25.933 -25.085 -11.519 1.00 11.20 H new ATOM 0 HB1 ALA A 29 -24.445 -26.052 -13.242 1.00 1.51 H new ATOM 0 HB2 ALA A 29 -26.151 -26.093 -13.745 1.00 1.51 H new ATOM 0 HB3 ALA A 29 -25.053 -24.867 -14.421 1.00 1.51 H new ATOM 468 N TRP A 30 -24.233 -22.580 -12.804 1.00 52.41 N ATOM 469 CA TRP A 30 -23.116 -21.675 -12.558 1.00 54.35 C ATOM 470 C TRP A 30 -23.595 -20.387 -11.895 1.00 23.42 C ATOM 471 O TRP A 30 -24.716 -19.936 -12.130 1.00 43.33 O ATOM 472 CB TRP A 30 -22.398 -21.350 -13.870 1.00 12.24 C ATOM 473 CG TRP A 30 -21.520 -22.463 -14.357 1.00 4.43 C ATOM 474 CD1 TRP A 30 -21.915 -23.584 -15.029 1.00 44.00 C ATOM 475 CD2 TRP A 30 -20.099 -22.560 -14.208 1.00 51.20 C ATOM 476 NE1 TRP A 30 -20.824 -24.374 -15.306 1.00 53.45 N ATOM 477 CE2 TRP A 30 -19.699 -23.767 -14.814 1.00 34.32 C ATOM 478 CE3 TRP A 30 -19.127 -21.745 -13.624 1.00 63.42 C ATOM 479 CZ2 TRP A 30 -18.369 -24.177 -14.850 1.00 52.21 C ATOM 480 CZ3 TRP A 30 -17.806 -22.153 -13.660 1.00 50.12 C ATOM 481 CH2 TRP A 30 -17.438 -23.359 -14.271 1.00 24.35 C ATOM 0 H TRP A 30 -24.807 -22.333 -13.610 1.00 52.41 H new ATOM 0 HA TRP A 30 -22.419 -22.172 -11.883 1.00 54.35 H new ATOM 0 HB2 TRP A 30 -23.140 -21.121 -14.635 1.00 12.24 H new ATOM 0 HB3 TRP A 30 -21.794 -20.453 -13.733 1.00 12.24 H new ATOM 0 HD1 TRP A 30 -22.934 -23.816 -15.303 1.00 44.00 H new ATOM 0 HE1 TRP A 30 -20.849 -25.267 -15.798 1.00 53.45 H new ATOM 0 HE3 TRP A 30 -19.402 -20.813 -13.153 1.00 63.42 H new ATOM 0 HZ2 TRP A 30 -18.083 -25.107 -15.318 1.00 52.21 H new ATOM 0 HZ3 TRP A 30 -17.046 -21.532 -13.210 1.00 50.12 H new ATOM 0 HH2 TRP A 30 -16.398 -23.649 -14.285 1.00 24.35 H new ATOM 492 N LYS A 31 -22.739 -19.802 -11.064 1.00 72.03 N ATOM 493 CA LYS A 31 -23.073 -18.566 -10.367 1.00 41.11 C ATOM 494 C LYS A 31 -22.154 -17.430 -10.803 1.00 44.24 C ATOM 495 O LYS A 31 -20.953 -17.627 -10.996 1.00 31.35 O ATOM 496 CB LYS A 31 -22.971 -18.766 -8.854 1.00 13.05 C ATOM 497 CG LYS A 31 -23.495 -17.591 -8.047 1.00 41.32 C ATOM 498 CD LYS A 31 -25.007 -17.641 -7.905 1.00 42.12 C ATOM 499 CE LYS A 31 -25.697 -16.846 -9.003 1.00 43.34 C ATOM 500 NZ LYS A 31 -26.950 -16.203 -8.519 1.00 45.25 N ATOM 0 H LYS A 31 -21.808 -20.164 -10.857 1.00 72.03 H new ATOM 0 HA LYS A 31 -24.098 -18.299 -10.624 1.00 41.11 H new ATOM 0 HB2 LYS A 31 -23.526 -19.662 -8.577 1.00 13.05 H new ATOM 0 HB3 LYS A 31 -21.928 -18.942 -8.589 1.00 13.05 H new ATOM 0 HG2 LYS A 31 -23.036 -17.594 -7.058 1.00 41.32 H new ATOM 0 HG3 LYS A 31 -23.205 -16.658 -8.531 1.00 41.32 H new ATOM 0 HD2 LYS A 31 -25.343 -18.678 -7.939 1.00 42.12 H new ATOM 0 HD3 LYS A 31 -25.295 -17.245 -6.931 1.00 42.12 H new ATOM 0 HE2 LYS A 31 -25.018 -16.081 -9.379 1.00 43.34 H new ATOM 0 HE3 LYS A 31 -25.927 -17.506 -9.839 1.00 43.34 H new ATOM 0 HZ1 LYS A 31 -27.769 -16.649 -8.979 1.00 45.25 H new ATOM 0 HZ2 LYS A 31 -27.025 -16.320 -7.488 1.00 45.25 H new ATOM 0 HZ3 LYS A 31 -26.932 -15.189 -8.752 1.00 45.25 H new ATOM 514 N LEU A 32 -22.723 -16.239 -10.956 1.00 31.15 N ATOM 515 CA LEU A 32 -21.953 -15.070 -11.367 1.00 33.14 C ATOM 516 C LEU A 32 -22.319 -13.853 -10.523 1.00 30.31 C ATOM 517 O LEU A 32 -23.494 -13.521 -10.372 1.00 71.25 O ATOM 518 CB LEU A 32 -22.196 -14.770 -12.848 1.00 13.35 C ATOM 519 CG LEU A 32 -21.274 -13.728 -13.481 1.00 20.10 C ATOM 520 CD1 LEU A 32 -21.685 -12.325 -13.061 1.00 22.42 C ATOM 521 CD2 LEU A 32 -19.824 -13.997 -13.102 1.00 32.11 C ATOM 0 H LEU A 32 -23.715 -16.058 -10.802 1.00 31.15 H new ATOM 0 HA LEU A 32 -20.896 -15.290 -11.216 1.00 33.14 H new ATOM 0 HB2 LEU A 32 -22.098 -15.700 -13.407 1.00 13.35 H new ATOM 0 HB3 LEU A 32 -23.226 -14.434 -12.966 1.00 13.35 H new ATOM 0 HG LEU A 32 -21.365 -13.802 -14.565 1.00 20.10 H new ATOM 0 HD11 LEU A 32 -21.017 -11.597 -13.521 1.00 22.42 H new ATOM 0 HD12 LEU A 32 -22.708 -12.134 -13.384 1.00 22.42 H new ATOM 0 HD13 LEU A 32 -21.624 -12.238 -11.976 1.00 22.42 H new ATOM 0 HD21 LEU A 32 -19.182 -13.245 -13.562 1.00 32.11 H new ATOM 0 HD22 LEU A 32 -19.717 -13.952 -12.018 1.00 32.11 H new ATOM 0 HD23 LEU A 32 -19.533 -14.987 -13.454 1.00 32.11 H new ATOM 533 N GLU A 33 -21.304 -13.191 -9.977 1.00 64.20 N ATOM 534 CA GLU A 33 -21.520 -12.009 -9.151 1.00 33.23 C ATOM 535 C GLU A 33 -20.598 -10.870 -9.578 1.00 33.14 C ATOM 536 O GLU A 33 -19.386 -10.927 -9.372 1.00 44.52 O ATOM 537 CB GLU A 33 -21.286 -12.342 -7.676 1.00 12.13 C ATOM 538 CG GLU A 33 -21.973 -11.382 -6.718 1.00 61.30 C ATOM 539 CD GLU A 33 -21.778 -11.767 -5.265 1.00 25.34 C ATOM 540 OE1 GLU A 33 -21.232 -12.861 -5.009 1.00 20.30 O ATOM 541 OE2 GLU A 33 -22.171 -10.975 -4.384 1.00 1.44 O ATOM 0 H GLU A 33 -20.325 -13.453 -10.092 1.00 64.20 H new ATOM 0 HA GLU A 33 -22.553 -11.687 -9.285 1.00 33.23 H new ATOM 0 HB2 GLU A 33 -21.641 -13.354 -7.480 1.00 12.13 H new ATOM 0 HB3 GLU A 33 -20.214 -12.336 -7.477 1.00 12.13 H new ATOM 0 HG2 GLU A 33 -21.586 -10.376 -6.878 1.00 61.30 H new ATOM 0 HG3 GLU A 33 -23.039 -11.352 -6.942 1.00 61.30 H new ATOM 548 N PHE A 34 -21.183 -9.836 -10.174 1.00 61.41 N ATOM 549 CA PHE A 34 -20.415 -8.684 -10.633 1.00 74.02 C ATOM 550 C PHE A 34 -20.353 -7.609 -9.553 1.00 3.21 C ATOM 551 O PHE A 34 -21.354 -7.307 -8.905 1.00 3.13 O ATOM 552 CB PHE A 34 -21.035 -8.107 -11.909 1.00 11.25 C ATOM 553 CG PHE A 34 -22.456 -7.655 -11.733 1.00 50.42 C ATOM 554 CD1 PHE A 34 -22.738 -6.377 -11.277 1.00 3.24 C ATOM 555 CD2 PHE A 34 -23.509 -8.505 -12.024 1.00 34.24 C ATOM 556 CE1 PHE A 34 -24.045 -5.957 -11.114 1.00 1.51 C ATOM 557 CE2 PHE A 34 -24.817 -8.090 -11.863 1.00 75.43 C ATOM 558 CZ PHE A 34 -25.086 -6.815 -11.407 1.00 31.40 C ATOM 0 H PHE A 34 -22.186 -9.772 -10.350 1.00 61.41 H new ATOM 0 HA PHE A 34 -19.400 -9.017 -10.849 1.00 74.02 H new ATOM 0 HB2 PHE A 34 -20.433 -7.263 -12.247 1.00 11.25 H new ATOM 0 HB3 PHE A 34 -20.997 -8.861 -12.695 1.00 11.25 H new ATOM 0 HD1 PHE A 34 -21.927 -5.702 -11.046 1.00 3.24 H new ATOM 0 HD2 PHE A 34 -23.306 -9.504 -12.381 1.00 34.24 H new ATOM 0 HE1 PHE A 34 -24.251 -4.959 -10.758 1.00 1.51 H new ATOM 0 HE2 PHE A 34 -25.629 -8.763 -12.094 1.00 75.43 H new ATOM 0 HZ PHE A 34 -26.108 -6.490 -11.280 1.00 31.40 H new ATOM 568 N GLU A 35 -19.168 -7.035 -9.367 1.00 15.41 N ATOM 569 CA GLU A 35 -18.974 -5.994 -8.364 1.00 43.03 C ATOM 570 C GLU A 35 -19.901 -4.810 -8.622 1.00 34.11 C ATOM 571 O GLU A 35 -20.073 -4.358 -9.754 1.00 44.12 O ATOM 572 CB GLU A 35 -17.518 -5.523 -8.361 1.00 13.41 C ATOM 573 CG GLU A 35 -17.228 -4.448 -7.327 1.00 53.30 C ATOM 574 CD GLU A 35 -16.823 -5.023 -5.984 1.00 71.31 C ATOM 575 OE1 GLU A 35 -16.984 -6.246 -5.789 1.00 51.44 O ATOM 576 OE2 GLU A 35 -16.344 -4.250 -5.128 1.00 24.33 O ATOM 0 H GLU A 35 -18.329 -7.273 -9.897 1.00 15.41 H new ATOM 0 HA GLU A 35 -19.215 -6.416 -7.388 1.00 43.03 H new ATOM 0 HB2 GLU A 35 -16.869 -6.379 -8.175 1.00 13.41 H new ATOM 0 HB3 GLU A 35 -17.267 -5.141 -9.350 1.00 13.41 H new ATOM 0 HG2 GLU A 35 -16.432 -3.800 -7.695 1.00 53.30 H new ATOM 0 HG3 GLU A 35 -18.113 -3.825 -7.199 1.00 53.30 H new ATOM 583 N PRO A 36 -20.517 -4.296 -7.547 1.00 14.23 N ATOM 584 CA PRO A 36 -21.438 -3.158 -7.631 1.00 12.25 C ATOM 585 C PRO A 36 -20.721 -1.855 -7.966 1.00 1.14 C ATOM 586 O PRO A 36 -19.785 -1.455 -7.273 1.00 10.22 O ATOM 587 CB PRO A 36 -22.045 -3.089 -6.227 1.00 3.12 C ATOM 588 CG PRO A 36 -21.024 -3.716 -5.341 1.00 72.51 C ATOM 589 CD PRO A 36 -20.360 -4.784 -6.167 1.00 54.21 C ATOM 0 HA PRO A 36 -22.175 -3.288 -8.423 1.00 12.25 H new ATOM 0 HB2 PRO A 36 -22.245 -2.059 -5.933 1.00 3.12 H new ATOM 0 HB3 PRO A 36 -22.993 -3.624 -6.179 1.00 3.12 H new ATOM 0 HG2 PRO A 36 -20.298 -2.979 -4.999 1.00 72.51 H new ATOM 0 HG3 PRO A 36 -21.488 -4.142 -4.451 1.00 72.51 H new ATOM 0 HD2 PRO A 36 -19.310 -4.903 -5.900 1.00 54.21 H new ATOM 0 HD3 PRO A 36 -20.837 -5.754 -6.027 1.00 54.21 H new ATOM 597 N SER A 37 -21.167 -1.197 -9.031 1.00 25.01 N ATOM 598 CA SER A 37 -20.564 0.060 -9.460 1.00 11.54 C ATOM 599 C SER A 37 -21.377 1.251 -8.958 1.00 22.35 C ATOM 600 O SER A 37 -20.898 2.045 -8.148 1.00 51.30 O ATOM 601 CB SER A 37 -20.460 0.106 -10.986 1.00 3.05 C ATOM 602 OG SER A 37 -19.434 0.992 -11.399 1.00 72.52 O ATOM 0 H SER A 37 -21.943 -1.513 -9.613 1.00 25.01 H new ATOM 0 HA SER A 37 -19.563 0.119 -9.033 1.00 11.54 H new ATOM 0 HB2 SER A 37 -20.258 -0.894 -11.371 1.00 3.05 H new ATOM 0 HB3 SER A 37 -21.413 0.424 -11.409 1.00 3.05 H new ATOM 0 HG SER A 37 -19.386 1.003 -12.378 1.00 72.52 H new ATOM 608 N CYS A 38 -22.607 1.366 -9.445 1.00 73.42 N ATOM 609 CA CYS A 38 -23.487 2.459 -9.049 1.00 1.33 C ATOM 610 C CYS A 38 -24.894 1.947 -8.759 1.00 14.25 C ATOM 611 O CYS A 38 -25.381 1.029 -9.420 1.00 34.02 O ATOM 612 CB CYS A 38 -23.535 3.526 -10.143 1.00 63.13 C ATOM 613 SG CYS A 38 -24.262 5.094 -9.613 1.00 41.24 S ATOM 0 H CYS A 38 -23.018 0.716 -10.115 1.00 73.42 H new ATOM 0 HA CYS A 38 -23.086 2.902 -8.137 1.00 1.33 H new ATOM 0 HB2 CYS A 38 -22.522 3.710 -10.501 1.00 63.13 H new ATOM 0 HB3 CYS A 38 -24.106 3.140 -10.987 1.00 63.13 H new ATOM 0 HG CYS A 38 -24.256 5.933 -10.606 1.00 41.24 H new ATOM 619 N THR A 39 -25.543 2.544 -7.764 1.00 72.22 N ATOM 620 CA THR A 39 -26.892 2.147 -7.384 1.00 73.31 C ATOM 621 C THR A 39 -27.915 2.621 -8.411 1.00 3.22 C ATOM 622 O THR A 39 -27.674 3.584 -9.139 1.00 53.34 O ATOM 623 CB THR A 39 -27.274 2.705 -6.000 1.00 71.12 C ATOM 624 OG1 THR A 39 -28.584 2.256 -5.634 1.00 61.35 O ATOM 625 CG2 THR A 39 -27.236 4.226 -6.000 1.00 64.12 C ATOM 0 H THR A 39 -25.155 3.305 -7.207 1.00 72.22 H new ATOM 0 HA THR A 39 -26.900 1.058 -7.343 1.00 73.31 H new ATOM 0 HB THR A 39 -26.549 2.339 -5.273 1.00 71.12 H new ATOM 0 HG1 THR A 39 -28.818 2.614 -4.752 1.00 61.35 H new ATOM 0 HG21 THR A 39 -27.509 4.597 -5.012 1.00 64.12 H new ATOM 0 HG22 THR A 39 -26.230 4.565 -6.249 1.00 64.12 H new ATOM 0 HG23 THR A 39 -27.941 4.608 -6.739 1.00 64.12 H new ATOM 633 N GLN A 40 -29.055 1.941 -8.462 1.00 14.45 N ATOM 634 CA GLN A 40 -30.114 2.295 -9.399 1.00 61.32 C ATOM 635 C GLN A 40 -29.600 2.271 -10.836 1.00 1.53 C ATOM 636 O GLN A 40 -29.962 3.121 -11.649 1.00 41.20 O ATOM 637 CB GLN A 40 -30.676 3.679 -9.069 1.00 33.40 C ATOM 638 CG GLN A 40 -31.509 3.709 -7.798 1.00 40.12 C ATOM 639 CD GLN A 40 -31.642 5.105 -7.221 1.00 20.03 C ATOM 640 OE1 GLN A 40 -31.759 6.085 -7.957 1.00 15.44 O ATOM 641 NE2 GLN A 40 -31.623 5.202 -5.896 1.00 44.13 N ATOM 0 H GLN A 40 -29.269 1.142 -7.866 1.00 14.45 H new ATOM 0 HA GLN A 40 -30.910 1.556 -9.304 1.00 61.32 H new ATOM 0 HB2 GLN A 40 -29.850 4.383 -8.969 1.00 33.40 H new ATOM 0 HB3 GLN A 40 -31.288 4.022 -9.903 1.00 33.40 H new ATOM 0 HG2 GLN A 40 -32.502 3.311 -8.009 1.00 40.12 H new ATOM 0 HG3 GLN A 40 -31.054 3.054 -7.054 1.00 40.12 H new ATOM 0 HE21 GLN A 40 -31.524 4.363 -5.325 1.00 44.13 H new ATOM 0 HE22 GLN A 40 -31.707 6.116 -5.450 1.00 44.13 H new ATOM 650 N TYR A 41 -28.754 1.293 -11.139 1.00 25.11 N ATOM 651 CA TYR A 41 -28.187 1.161 -12.476 1.00 53.13 C ATOM 652 C TYR A 41 -29.283 0.926 -13.511 1.00 63.41 C ATOM 653 O TYR A 41 -30.455 0.773 -13.169 1.00 14.22 O ATOM 654 CB TYR A 41 -27.179 0.011 -12.513 1.00 71.24 C ATOM 655 CG TYR A 41 -27.811 -1.354 -12.362 1.00 75.15 C ATOM 656 CD1 TYR A 41 -28.115 -1.864 -11.106 1.00 70.30 C ATOM 657 CD2 TYR A 41 -28.104 -2.134 -13.475 1.00 2.34 C ATOM 658 CE1 TYR A 41 -28.693 -3.112 -10.963 1.00 3.44 C ATOM 659 CE2 TYR A 41 -28.683 -3.380 -13.340 1.00 30.32 C ATOM 660 CZ TYR A 41 -28.975 -3.865 -12.082 1.00 23.13 C ATOM 661 OH TYR A 41 -29.550 -5.108 -11.945 1.00 10.45 O ATOM 0 H TYR A 41 -28.446 0.580 -10.478 1.00 25.11 H new ATOM 0 HA TYR A 41 -27.675 2.092 -12.721 1.00 53.13 H new ATOM 0 HB2 TYR A 41 -26.634 0.047 -13.456 1.00 71.24 H new ATOM 0 HB3 TYR A 41 -26.448 0.154 -11.717 1.00 71.24 H new ATOM 0 HD1 TYR A 41 -27.896 -1.276 -10.227 1.00 70.30 H new ATOM 0 HD2 TYR A 41 -27.875 -1.759 -14.462 1.00 2.34 H new ATOM 0 HE1 TYR A 41 -28.922 -3.495 -9.979 1.00 3.44 H new ATOM 0 HE2 TYR A 41 -28.906 -3.972 -14.215 1.00 30.32 H new ATOM 0 HH TYR A 41 -29.684 -5.506 -12.831 1.00 10.45 H new ATOM 671 N THR A 42 -28.891 0.896 -14.781 1.00 61.21 N ATOM 672 CA THR A 42 -29.838 0.680 -15.868 1.00 51.10 C ATOM 673 C THR A 42 -30.046 -0.807 -16.129 1.00 3.43 C ATOM 674 O THR A 42 -29.207 -1.461 -16.747 1.00 23.02 O ATOM 675 CB THR A 42 -29.364 1.357 -17.169 1.00 54.40 C ATOM 676 OG1 THR A 42 -28.884 2.676 -16.887 1.00 0.21 O ATOM 677 CG2 THR A 42 -30.496 1.429 -18.183 1.00 42.11 C ATOM 0 H THR A 42 -27.924 1.019 -15.082 1.00 61.21 H new ATOM 0 HA THR A 42 -30.782 1.127 -15.558 1.00 51.10 H new ATOM 0 HB THR A 42 -28.556 0.760 -17.592 1.00 54.40 H new ATOM 0 HG1 THR A 42 -28.583 3.099 -17.718 1.00 0.21 H new ATOM 0 HG21 THR A 42 -30.139 1.910 -19.093 1.00 42.11 H new ATOM 0 HG22 THR A 42 -30.840 0.421 -18.416 1.00 42.11 H new ATOM 0 HG23 THR A 42 -31.321 2.007 -17.767 1.00 42.11 H new ATOM 685 N GLU A 43 -31.169 -1.335 -15.654 1.00 35.35 N ATOM 686 CA GLU A 43 -31.485 -2.747 -15.837 1.00 73.04 C ATOM 687 C GLU A 43 -31.364 -3.146 -17.305 1.00 71.13 C ATOM 688 O GLU A 43 -31.456 -2.316 -18.210 1.00 33.22 O ATOM 689 CB GLU A 43 -32.899 -3.046 -15.331 1.00 44.13 C ATOM 690 CG GLU A 43 -33.929 -2.013 -15.757 1.00 61.35 C ATOM 691 CD GLU A 43 -35.348 -2.438 -15.436 1.00 12.42 C ATOM 692 OE1 GLU A 43 -35.563 -3.021 -14.353 1.00 11.12 O ATOM 693 OE2 GLU A 43 -36.245 -2.186 -16.268 1.00 51.41 O ATOM 0 H GLU A 43 -31.875 -0.807 -15.140 1.00 35.35 H new ATOM 0 HA GLU A 43 -30.769 -3.331 -15.259 1.00 73.04 H new ATOM 0 HB2 GLU A 43 -33.207 -4.026 -15.696 1.00 44.13 H new ATOM 0 HB3 GLU A 43 -32.882 -3.102 -14.243 1.00 44.13 H new ATOM 0 HG2 GLU A 43 -33.716 -1.067 -15.260 1.00 61.35 H new ATOM 0 HG3 GLU A 43 -33.840 -1.837 -16.829 1.00 61.35 H new ATOM 700 N PRO A 44 -31.152 -4.448 -17.548 1.00 75.43 N ATOM 701 CA PRO A 44 -31.013 -4.988 -18.903 1.00 70.04 C ATOM 702 C PRO A 44 -32.327 -4.957 -19.677 1.00 45.31 C ATOM 703 O PRO A 44 -33.368 -4.578 -19.139 1.00 23.44 O ATOM 704 CB PRO A 44 -30.566 -6.433 -18.666 1.00 44.42 C ATOM 705 CG PRO A 44 -31.082 -6.770 -17.311 1.00 34.11 C ATOM 706 CD PRO A 44 -31.032 -5.493 -16.518 1.00 34.43 C ATOM 0 HA PRO A 44 -30.315 -4.405 -19.504 1.00 70.04 H new ATOM 0 HB2 PRO A 44 -30.974 -7.103 -19.423 1.00 44.42 H new ATOM 0 HB3 PRO A 44 -29.481 -6.524 -18.711 1.00 44.42 H new ATOM 0 HG2 PRO A 44 -32.100 -7.155 -17.366 1.00 34.11 H new ATOM 0 HG3 PRO A 44 -30.473 -7.544 -16.843 1.00 34.11 H new ATOM 0 HD2 PRO A 44 -31.844 -5.438 -15.793 1.00 34.43 H new ATOM 0 HD3 PRO A 44 -30.100 -5.402 -15.960 1.00 34.43 H new ATOM 714 N LEU A 45 -32.272 -5.358 -20.943 1.00 11.51 N ATOM 715 CA LEU A 45 -33.459 -5.376 -21.792 1.00 3.22 C ATOM 716 C LEU A 45 -34.452 -6.431 -21.315 1.00 1.32 C ATOM 717 O LEU A 45 -34.061 -7.490 -20.825 1.00 61.40 O ATOM 718 CB LEU A 45 -33.067 -5.648 -23.244 1.00 25.41 C ATOM 719 CG LEU A 45 -34.109 -5.283 -24.302 1.00 0.14 C ATOM 720 CD1 LEU A 45 -34.370 -3.785 -24.298 1.00 70.02 C ATOM 721 CD2 LEU A 45 -33.658 -5.745 -25.679 1.00 2.25 C ATOM 0 H LEU A 45 -31.419 -5.675 -21.404 1.00 11.51 H new ATOM 0 HA LEU A 45 -33.937 -4.398 -21.729 1.00 3.22 H new ATOM 0 HB2 LEU A 45 -32.151 -5.098 -23.461 1.00 25.41 H new ATOM 0 HB3 LEU A 45 -32.834 -6.708 -23.344 1.00 25.41 H new ATOM 0 HG LEU A 45 -35.040 -5.794 -24.058 1.00 0.14 H new ATOM 0 HD11 LEU A 45 -35.114 -3.543 -25.057 1.00 70.02 H new ATOM 0 HD12 LEU A 45 -34.740 -3.483 -23.318 1.00 70.02 H new ATOM 0 HD13 LEU A 45 -33.444 -3.254 -24.516 1.00 70.02 H new ATOM 0 HD21 LEU A 45 -34.413 -5.476 -26.418 1.00 2.25 H new ATOM 0 HD22 LEU A 45 -32.714 -5.264 -25.933 1.00 2.25 H new ATOM 0 HD23 LEU A 45 -33.524 -6.827 -25.674 1.00 2.25 H new ATOM 733 N MET A 46 -35.739 -6.134 -21.463 1.00 62.30 N ATOM 734 CA MET A 46 -36.788 -7.059 -21.051 1.00 53.24 C ATOM 735 C MET A 46 -36.651 -8.395 -21.773 1.00 62.41 C ATOM 736 O MET A 46 -36.516 -8.440 -22.995 1.00 42.24 O ATOM 737 CB MET A 46 -38.168 -6.455 -21.329 1.00 65.50 C ATOM 738 CG MET A 46 -38.393 -6.105 -22.790 1.00 73.05 C ATOM 739 SD MET A 46 -39.808 -5.012 -23.031 1.00 61.23 S ATOM 740 CE MET A 46 -40.534 -5.721 -24.507 1.00 52.15 C ATOM 0 H MET A 46 -36.080 -5.261 -21.865 1.00 62.30 H new ATOM 0 HA MET A 46 -36.683 -7.233 -19.980 1.00 53.24 H new ATOM 0 HB2 MET A 46 -38.935 -7.160 -21.010 1.00 65.50 H new ATOM 0 HB3 MET A 46 -38.291 -5.556 -20.725 1.00 65.50 H new ATOM 0 HG2 MET A 46 -37.498 -5.627 -23.187 1.00 73.05 H new ATOM 0 HG3 MET A 46 -38.545 -7.021 -23.360 1.00 73.05 H new ATOM 0 HE1 MET A 46 -41.422 -5.153 -24.784 1.00 52.15 H new ATOM 0 HE2 MET A 46 -39.811 -5.684 -25.322 1.00 52.15 H new ATOM 0 HE3 MET A 46 -40.811 -6.757 -24.314 1.00 52.15 H new ATOM 750 N ASN A 47 -36.684 -9.482 -21.009 1.00 61.02 N ATOM 751 CA ASN A 47 -36.561 -10.819 -21.577 1.00 30.32 C ATOM 752 C ASN A 47 -37.654 -11.740 -21.042 1.00 72.42 C ATOM 753 O ASN A 47 -37.824 -11.880 -19.831 1.00 22.35 O ATOM 754 CB ASN A 47 -35.184 -11.407 -21.259 1.00 51.24 C ATOM 755 CG ASN A 47 -34.714 -12.384 -22.320 1.00 10.32 C ATOM 756 OD1 ASN A 47 -34.668 -13.592 -22.089 1.00 24.14 O ATOM 757 ND2 ASN A 47 -34.363 -11.864 -23.490 1.00 12.12 N ATOM 0 H ASN A 47 -36.795 -9.463 -19.995 1.00 61.02 H new ATOM 0 HA ASN A 47 -36.674 -10.739 -22.658 1.00 30.32 H new ATOM 0 HB2 ASN A 47 -34.459 -10.598 -21.167 1.00 51.24 H new ATOM 0 HB3 ASN A 47 -35.222 -11.913 -20.294 1.00 51.24 H new ATOM 0 HD21 ASN A 47 -34.039 -12.472 -24.242 1.00 12.12 H new ATOM 0 HD22 ASN A 47 -34.417 -10.856 -23.637 1.00 12.12 H new ATOM 764 N TRP A 48 -38.392 -12.364 -21.953 1.00 61.41 N ATOM 765 CA TRP A 48 -39.469 -13.272 -21.573 1.00 63.02 C ATOM 766 C TRP A 48 -39.156 -14.699 -22.008 1.00 10.42 C ATOM 767 O TRP A 48 -39.637 -15.661 -21.408 1.00 30.23 O ATOM 768 CB TRP A 48 -40.790 -12.815 -22.194 1.00 15.03 C ATOM 769 CG TRP A 48 -41.997 -13.310 -21.452 1.00 44.02 C ATOM 770 CD1 TRP A 48 -42.300 -13.086 -20.140 1.00 14.41 C ATOM 771 CD2 TRP A 48 -43.058 -14.112 -21.981 1.00 43.40 C ATOM 772 NE1 TRP A 48 -43.486 -13.701 -19.821 1.00 35.44 N ATOM 773 CE2 TRP A 48 -43.971 -14.336 -20.933 1.00 35.41 C ATOM 774 CE3 TRP A 48 -43.327 -14.660 -23.238 1.00 25.24 C ATOM 775 CZ2 TRP A 48 -45.132 -15.087 -21.106 1.00 30.15 C ATOM 776 CZ3 TRP A 48 -44.477 -15.406 -23.407 1.00 71.04 C ATOM 777 CH2 TRP A 48 -45.369 -15.612 -22.347 1.00 32.42 C ATOM 0 H TRP A 48 -38.265 -12.258 -22.959 1.00 61.41 H new ATOM 0 HA TRP A 48 -39.560 -13.255 -20.487 1.00 63.02 H new ATOM 0 HB2 TRP A 48 -40.812 -11.726 -22.224 1.00 15.03 H new ATOM 0 HB3 TRP A 48 -40.838 -13.163 -23.226 1.00 15.03 H new ATOM 0 HD1 TRP A 48 -41.696 -12.510 -19.454 1.00 14.41 H new ATOM 0 HE1 TRP A 48 -43.933 -13.687 -18.904 1.00 35.44 H new ATOM 0 HE3 TRP A 48 -42.648 -14.503 -24.063 1.00 25.24 H new ATOM 0 HZ2 TRP A 48 -45.820 -15.249 -20.290 1.00 30.15 H new ATOM 0 HZ3 TRP A 48 -44.692 -15.838 -24.373 1.00 71.04 H new ATOM 0 HH2 TRP A 48 -46.262 -16.197 -22.513 1.00 32.42 H new ATOM 788 N THR A 49 -38.347 -14.832 -23.054 1.00 2.52 N ATOM 789 CA THR A 49 -37.971 -16.142 -23.568 1.00 31.42 C ATOM 790 C THR A 49 -37.423 -17.031 -22.458 1.00 75.41 C ATOM 791 O THR A 49 -37.579 -18.252 -22.493 1.00 53.22 O ATOM 792 CB THR A 49 -36.916 -16.026 -24.684 1.00 63.25 C ATOM 793 OG1 THR A 49 -37.081 -14.790 -25.388 1.00 3.33 O ATOM 794 CG2 THR A 49 -37.029 -17.188 -25.659 1.00 60.30 C ATOM 0 H THR A 49 -37.939 -14.047 -23.562 1.00 2.52 H new ATOM 0 HA THR A 49 -38.875 -16.592 -23.978 1.00 31.42 H new ATOM 0 HB THR A 49 -35.929 -16.053 -24.223 1.00 63.25 H new ATOM 0 HG1 THR A 49 -36.405 -14.723 -26.095 1.00 3.33 H new ATOM 0 HG21 THR A 49 -36.274 -17.084 -26.438 1.00 60.30 H new ATOM 0 HG22 THR A 49 -36.874 -18.126 -25.126 1.00 60.30 H new ATOM 0 HG23 THR A 49 -38.020 -17.188 -26.112 1.00 60.30 H new ATOM 802 N GLY A 50 -36.780 -16.413 -21.472 1.00 61.42 N ATOM 803 CA GLY A 50 -36.219 -17.165 -20.365 1.00 61.10 C ATOM 804 C GLY A 50 -35.583 -16.271 -19.321 1.00 11.35 C ATOM 805 O GLY A 50 -35.866 -15.074 -19.262 1.00 33.25 O ATOM 0 H GLY A 50 -36.638 -15.404 -21.420 1.00 61.42 H new ATOM 0 HA2 GLY A 50 -37.004 -17.761 -19.899 1.00 61.10 H new ATOM 0 HA3 GLY A 50 -35.473 -17.863 -20.745 1.00 61.10 H new ATOM 809 N SER A 51 -34.720 -16.852 -18.492 1.00 40.03 N ATOM 810 CA SER A 51 -34.045 -16.100 -17.440 1.00 74.04 C ATOM 811 C SER A 51 -35.055 -15.363 -16.566 1.00 74.34 C ATOM 812 O SER A 51 -34.782 -14.271 -16.068 1.00 14.51 O ATOM 813 CB SER A 51 -33.059 -15.103 -18.050 1.00 10.35 C ATOM 814 OG SER A 51 -33.708 -13.895 -18.406 1.00 13.24 O ATOM 0 H SER A 51 -34.472 -17.841 -18.529 1.00 40.03 H new ATOM 0 HA SER A 51 -33.498 -16.807 -16.816 1.00 74.04 H new ATOM 0 HB2 SER A 51 -32.261 -14.894 -17.337 1.00 10.35 H new ATOM 0 HB3 SER A 51 -32.592 -15.542 -18.932 1.00 10.35 H new ATOM 0 HG SER A 51 -34.551 -14.099 -18.863 1.00 13.24 H new ATOM 820 N HIS A 52 -36.225 -15.969 -16.384 1.00 12.30 N ATOM 821 CA HIS A 52 -37.277 -15.372 -15.569 1.00 75.24 C ATOM 822 C HIS A 52 -37.036 -15.641 -14.087 1.00 44.01 C ATOM 823 O HIS A 52 -37.411 -14.840 -13.231 1.00 63.23 O ATOM 824 CB HIS A 52 -38.643 -15.919 -15.983 1.00 53.53 C ATOM 825 CG HIS A 52 -38.820 -17.376 -15.688 1.00 20.21 C ATOM 826 ND1 HIS A 52 -39.271 -17.849 -14.474 1.00 55.33 N ATOM 827 CD2 HIS A 52 -38.604 -18.468 -16.458 1.00 61.14 C ATOM 828 CE1 HIS A 52 -39.325 -19.168 -14.510 1.00 22.51 C ATOM 829 NE2 HIS A 52 -38.925 -19.569 -15.703 1.00 22.52 N ATOM 0 H HIS A 52 -36.468 -16.873 -16.790 1.00 12.30 H new ATOM 0 HA HIS A 52 -37.261 -14.294 -15.731 1.00 75.24 H new ATOM 0 HB2 HIS A 52 -39.422 -15.356 -15.469 1.00 53.53 H new ATOM 0 HB3 HIS A 52 -38.783 -15.754 -17.051 1.00 53.53 H new ATOM 0 HD2 HIS A 52 -38.246 -18.472 -17.477 1.00 61.14 H new ATOM 0 HE1 HIS A 52 -39.642 -19.810 -13.701 1.00 22.51 H new ATOM 0 HE2 HIS A 52 -38.864 -20.539 -16.013 1.00 22.52 H new ATOM 837 N ASP A 53 -36.407 -16.774 -13.791 1.00 54.14 N ATOM 838 CA ASP A 53 -36.116 -17.148 -12.413 1.00 33.44 C ATOM 839 C ASP A 53 -35.392 -16.020 -11.685 1.00 23.13 C ATOM 840 O ASP A 53 -35.727 -15.684 -10.549 1.00 1.44 O ATOM 841 CB ASP A 53 -35.270 -18.422 -12.376 1.00 22.43 C ATOM 842 CG ASP A 53 -36.061 -19.654 -12.770 1.00 65.00 C ATOM 843 OD1 ASP A 53 -36.165 -19.928 -13.985 1.00 4.44 O ATOM 844 OD2 ASP A 53 -36.575 -20.344 -11.866 1.00 3.12 O ATOM 0 H ASP A 53 -36.089 -17.448 -14.487 1.00 54.14 H new ATOM 0 HA ASP A 53 -37.062 -17.335 -11.905 1.00 33.44 H new ATOM 0 HB2 ASP A 53 -34.419 -18.310 -13.048 1.00 22.43 H new ATOM 0 HB3 ASP A 53 -34.867 -18.558 -11.372 1.00 22.43 H new ATOM 849 N THR A 54 -34.395 -15.440 -12.346 1.00 42.41 N ATOM 850 CA THR A 54 -33.622 -14.351 -11.761 1.00 71.33 C ATOM 851 C THR A 54 -34.219 -12.996 -12.123 1.00 31.34 C ATOM 852 O THR A 54 -34.375 -12.669 -13.300 1.00 4.31 O ATOM 853 CB THR A 54 -32.154 -14.393 -12.226 1.00 25.02 C ATOM 854 OG1 THR A 54 -31.654 -15.733 -12.150 1.00 43.31 O ATOM 855 CG2 THR A 54 -31.291 -13.475 -11.373 1.00 22.34 C ATOM 0 H THR A 54 -34.104 -15.706 -13.287 1.00 42.41 H new ATOM 0 HA THR A 54 -33.658 -14.483 -10.680 1.00 71.33 H new ATOM 0 HB THR A 54 -32.113 -14.049 -13.259 1.00 25.02 H new ATOM 0 HG1 THR A 54 -30.721 -15.751 -12.449 1.00 43.31 H new ATOM 0 HG21 THR A 54 -30.259 -13.521 -11.719 1.00 22.34 H new ATOM 0 HG22 THR A 54 -31.657 -12.451 -11.456 1.00 22.34 H new ATOM 0 HG23 THR A 54 -31.339 -13.794 -10.332 1.00 22.34 H new ATOM 863 N LYS A 55 -34.552 -12.211 -11.104 1.00 23.01 N ATOM 864 CA LYS A 55 -35.130 -10.889 -11.315 1.00 12.41 C ATOM 865 C LYS A 55 -34.966 -10.020 -10.071 1.00 65.04 C ATOM 866 O LYS A 55 -35.236 -10.461 -8.955 1.00 42.33 O ATOM 867 CB LYS A 55 -36.613 -11.010 -11.672 1.00 31.22 C ATOM 868 CG LYS A 55 -37.239 -9.701 -12.122 1.00 62.21 C ATOM 869 CD LYS A 55 -36.682 -9.249 -13.462 1.00 33.10 C ATOM 870 CE LYS A 55 -37.455 -8.061 -14.014 1.00 61.34 C ATOM 871 NZ LYS A 55 -36.997 -7.689 -15.381 1.00 60.53 N ATOM 0 H LYS A 55 -34.432 -12.467 -10.124 1.00 23.01 H new ATOM 0 HA LYS A 55 -34.600 -10.415 -12.142 1.00 12.41 H new ATOM 0 HB2 LYS A 55 -36.728 -11.749 -12.464 1.00 31.22 H new ATOM 0 HB3 LYS A 55 -37.157 -11.384 -10.805 1.00 31.22 H new ATOM 0 HG2 LYS A 55 -38.320 -9.820 -12.198 1.00 62.21 H new ATOM 0 HG3 LYS A 55 -37.055 -8.932 -11.372 1.00 62.21 H new ATOM 0 HD2 LYS A 55 -35.632 -8.980 -13.349 1.00 33.10 H new ATOM 0 HD3 LYS A 55 -36.725 -10.075 -14.172 1.00 33.10 H new ATOM 0 HE2 LYS A 55 -38.518 -8.300 -14.039 1.00 61.34 H new ATOM 0 HE3 LYS A 55 -37.336 -7.208 -13.346 1.00 61.34 H new ATOM 0 HZ1 LYS A 55 -37.548 -6.876 -15.722 1.00 60.53 H new ATOM 0 HZ2 LYS A 55 -35.988 -7.437 -15.353 1.00 60.53 H new ATOM 0 HZ3 LYS A 55 -37.134 -8.494 -16.024 1.00 60.53 H new ATOM 885 N GLN A 56 -34.522 -8.784 -10.275 1.00 5.53 N ATOM 886 CA GLN A 56 -34.322 -7.852 -9.170 1.00 60.43 C ATOM 887 C GLN A 56 -33.345 -8.424 -8.147 1.00 51.31 C ATOM 888 O GLN A 56 -33.468 -8.170 -6.950 1.00 54.51 O ATOM 889 CB GLN A 56 -35.658 -7.535 -8.496 1.00 24.13 C ATOM 890 CG GLN A 56 -35.684 -6.182 -7.804 1.00 64.23 C ATOM 891 CD GLN A 56 -35.758 -5.027 -8.784 1.00 33.54 C ATOM 892 OE1 GLN A 56 -36.632 -4.989 -9.651 1.00 52.50 O ATOM 893 NE2 GLN A 56 -34.840 -4.078 -8.651 1.00 41.42 N ATOM 0 H GLN A 56 -34.294 -8.404 -11.194 1.00 5.53 H new ATOM 0 HA GLN A 56 -33.900 -6.932 -9.574 1.00 60.43 H new ATOM 0 HB2 GLN A 56 -36.450 -7.566 -9.245 1.00 24.13 H new ATOM 0 HB3 GLN A 56 -35.880 -8.312 -7.765 1.00 24.13 H new ATOM 0 HG2 GLN A 56 -36.541 -6.138 -7.131 1.00 64.23 H new ATOM 0 HG3 GLN A 56 -34.790 -6.075 -7.189 1.00 64.23 H new ATOM 0 HE21 GLN A 56 -34.134 -4.150 -7.918 1.00 41.42 H new ATOM 0 HE22 GLN A 56 -34.840 -3.276 -9.282 1.00 41.42 H new ATOM 902 N GLN A 57 -32.376 -9.195 -8.628 1.00 21.50 N ATOM 903 CA GLN A 57 -31.379 -9.802 -7.755 1.00 53.30 C ATOM 904 C GLN A 57 -29.970 -9.392 -8.169 1.00 13.31 C ATOM 905 O GLN A 57 -29.592 -9.520 -9.334 1.00 42.23 O ATOM 906 CB GLN A 57 -31.508 -11.327 -7.781 1.00 42.31 C ATOM 907 CG GLN A 57 -32.604 -11.860 -6.874 1.00 30.35 C ATOM 908 CD GLN A 57 -32.538 -13.366 -6.702 1.00 41.44 C ATOM 909 OE1 GLN A 57 -33.700 -14.007 -6.658 1.00 21.25 O flip ATOM 910 NE2 GLN A 57 -31.456 -13.944 -6.611 1.00 0.14 N flip ATOM 0 H GLN A 57 -32.260 -9.414 -9.617 1.00 21.50 H new ATOM 0 HA GLN A 57 -31.557 -9.446 -6.740 1.00 53.30 H new ATOM 0 HB2 GLN A 57 -31.705 -11.649 -8.803 1.00 42.31 H new ATOM 0 HB3 GLN A 57 -30.556 -11.769 -7.486 1.00 42.31 H new ATOM 0 HG2 GLN A 57 -32.526 -11.383 -5.897 1.00 30.35 H new ATOM 0 HG3 GLN A 57 -33.576 -11.587 -7.286 1.00 30.35 H new ATOM 0 HE21 GLN A 57 -30.588 -13.410 -6.650 1.00 0.14 H new ATOM 0 HE22 GLN A 57 -31.427 -14.957 -6.497 1.00 0.14 H new ATOM 919 N VAL A 58 -29.196 -8.898 -7.207 1.00 42.03 N ATOM 920 CA VAL A 58 -27.828 -8.468 -7.472 1.00 72.51 C ATOM 921 C VAL A 58 -26.999 -9.606 -8.057 1.00 24.44 C ATOM 922 O VAL A 58 -26.119 -9.384 -8.889 1.00 40.22 O ATOM 923 CB VAL A 58 -27.143 -7.954 -6.193 1.00 13.34 C ATOM 924 CG1 VAL A 58 -27.792 -6.661 -5.723 1.00 13.23 C ATOM 925 CG2 VAL A 58 -27.193 -9.012 -5.100 1.00 64.40 C ATOM 0 H VAL A 58 -29.493 -8.786 -6.238 1.00 42.03 H new ATOM 0 HA VAL A 58 -27.886 -7.655 -8.195 1.00 72.51 H new ATOM 0 HB VAL A 58 -26.097 -7.747 -6.420 1.00 13.34 H new ATOM 0 HG11 VAL A 58 -27.295 -6.312 -4.818 1.00 13.23 H new ATOM 0 HG12 VAL A 58 -27.700 -5.904 -6.502 1.00 13.23 H new ATOM 0 HG13 VAL A 58 -28.847 -6.839 -5.512 1.00 13.23 H new ATOM 0 HG21 VAL A 58 -26.704 -8.632 -4.203 1.00 64.40 H new ATOM 0 HG22 VAL A 58 -28.232 -9.252 -4.873 1.00 64.40 H new ATOM 0 HG23 VAL A 58 -26.679 -9.911 -5.440 1.00 64.40 H new ATOM 935 N CYS A 59 -27.285 -10.826 -7.616 1.00 65.51 N ATOM 936 CA CYS A 59 -26.565 -12.001 -8.096 1.00 11.33 C ATOM 937 C CYS A 59 -27.164 -12.510 -9.402 1.00 62.00 C ATOM 938 O CYS A 59 -28.384 -12.594 -9.547 1.00 61.24 O ATOM 939 CB CYS A 59 -26.595 -13.109 -7.041 1.00 70.11 C ATOM 940 SG CYS A 59 -28.258 -13.679 -6.617 1.00 21.44 S ATOM 0 H CYS A 59 -28.010 -11.028 -6.927 1.00 65.51 H new ATOM 0 HA CYS A 59 -25.530 -11.712 -8.281 1.00 11.33 H new ATOM 0 HB2 CYS A 59 -26.013 -13.957 -7.403 1.00 70.11 H new ATOM 0 HB3 CYS A 59 -26.104 -12.749 -6.137 1.00 70.11 H new ATOM 0 HG CYS A 59 -29.000 -13.686 -7.685 1.00 21.44 H new ATOM 946 N LEU A 60 -26.298 -12.847 -10.352 1.00 40.02 N ATOM 947 CA LEU A 60 -26.741 -13.346 -11.649 1.00 75.51 C ATOM 948 C LEU A 60 -26.263 -14.778 -11.873 1.00 52.15 C ATOM 949 O LEU A 60 -25.074 -15.070 -11.757 1.00 33.43 O ATOM 950 CB LEU A 60 -26.225 -12.443 -12.769 1.00 4.20 C ATOM 951 CG LEU A 60 -26.238 -13.042 -14.176 1.00 71.24 C ATOM 952 CD1 LEU A 60 -27.653 -13.428 -14.577 1.00 71.41 C ATOM 953 CD2 LEU A 60 -25.645 -12.063 -15.178 1.00 72.34 C ATOM 0 H LEU A 60 -25.285 -12.784 -10.248 1.00 40.02 H new ATOM 0 HA LEU A 60 -27.831 -13.340 -11.660 1.00 75.51 H new ATOM 0 HB2 LEU A 60 -26.823 -11.532 -12.778 1.00 4.20 H new ATOM 0 HB3 LEU A 60 -25.203 -12.150 -12.530 1.00 4.20 H new ATOM 0 HG LEU A 60 -25.624 -13.943 -14.173 1.00 71.24 H new ATOM 0 HD11 LEU A 60 -27.644 -13.853 -15.581 1.00 71.41 H new ATOM 0 HD12 LEU A 60 -28.042 -14.165 -13.875 1.00 71.41 H new ATOM 0 HD13 LEU A 60 -28.289 -12.543 -14.563 1.00 71.41 H new ATOM 0 HD21 LEU A 60 -25.662 -12.506 -16.174 1.00 72.34 H new ATOM 0 HD22 LEU A 60 -26.231 -11.144 -15.179 1.00 72.34 H new ATOM 0 HD23 LEU A 60 -24.616 -11.836 -14.900 1.00 72.34 H new ATOM 965 N SER A 61 -27.199 -15.664 -12.198 1.00 64.02 N ATOM 966 CA SER A 61 -26.874 -17.066 -12.438 1.00 42.42 C ATOM 967 C SER A 61 -26.679 -17.331 -13.928 1.00 1.41 C ATOM 968 O SER A 61 -27.047 -16.511 -14.769 1.00 45.02 O ATOM 969 CB SER A 61 -27.980 -17.969 -11.887 1.00 42.23 C ATOM 970 OG SER A 61 -28.280 -17.645 -10.541 1.00 4.11 O ATOM 0 H SER A 61 -28.188 -15.436 -12.301 1.00 64.02 H new ATOM 0 HA SER A 61 -25.941 -17.291 -11.922 1.00 42.42 H new ATOM 0 HB2 SER A 61 -28.877 -17.865 -12.498 1.00 42.23 H new ATOM 0 HB3 SER A 61 -27.669 -19.012 -11.953 1.00 42.23 H new ATOM 0 HG SER A 61 -29.249 -17.690 -10.402 1.00 4.11 H new ATOM 976 N PHE A 62 -26.097 -18.482 -14.245 1.00 54.13 N ATOM 977 CA PHE A 62 -25.851 -18.857 -15.633 1.00 75.13 C ATOM 978 C PHE A 62 -25.938 -20.370 -15.812 1.00 25.24 C ATOM 979 O PHE A 62 -25.492 -21.134 -14.955 1.00 23.12 O ATOM 980 CB PHE A 62 -24.478 -18.356 -16.083 1.00 61.31 C ATOM 981 CG PHE A 62 -24.467 -16.907 -16.477 1.00 70.13 C ATOM 982 CD1 PHE A 62 -25.013 -16.500 -17.684 1.00 63.51 C ATOM 983 CD2 PHE A 62 -23.912 -15.951 -15.641 1.00 74.24 C ATOM 984 CE1 PHE A 62 -25.005 -15.167 -18.051 1.00 12.11 C ATOM 985 CE2 PHE A 62 -23.902 -14.617 -16.002 1.00 72.41 C ATOM 986 CZ PHE A 62 -24.449 -14.225 -17.208 1.00 43.10 C ATOM 0 H PHE A 62 -25.787 -19.171 -13.560 1.00 54.13 H new ATOM 0 HA PHE A 62 -26.620 -18.392 -16.250 1.00 75.13 H new ATOM 0 HB2 PHE A 62 -23.762 -18.510 -15.276 1.00 61.31 H new ATOM 0 HB3 PHE A 62 -24.140 -18.956 -16.928 1.00 61.31 H new ATOM 0 HD1 PHE A 62 -25.450 -17.233 -18.346 1.00 63.51 H new ATOM 0 HD2 PHE A 62 -23.483 -16.252 -14.697 1.00 74.24 H new ATOM 0 HE1 PHE A 62 -25.433 -14.863 -18.995 1.00 12.11 H new ATOM 0 HE2 PHE A 62 -23.467 -13.882 -15.342 1.00 72.41 H new ATOM 0 HZ PHE A 62 -24.442 -13.183 -17.492 1.00 43.10 H new ATOM 996 N THR A 63 -26.515 -20.797 -16.930 1.00 50.33 N ATOM 997 CA THR A 63 -26.661 -22.217 -17.222 1.00 54.51 C ATOM 998 C THR A 63 -25.304 -22.881 -17.417 1.00 30.11 C ATOM 999 O THR A 63 -25.037 -23.949 -16.865 1.00 61.44 O ATOM 1000 CB THR A 63 -27.519 -22.446 -18.480 1.00 72.23 C ATOM 1001 OG1 THR A 63 -28.325 -21.293 -18.741 1.00 53.34 O ATOM 1002 CG2 THR A 63 -28.410 -23.668 -18.313 1.00 52.54 C ATOM 0 H THR A 63 -26.889 -20.178 -17.649 1.00 50.33 H new ATOM 0 HA THR A 63 -27.161 -22.666 -16.364 1.00 54.51 H new ATOM 0 HB THR A 63 -26.849 -22.617 -19.323 1.00 72.23 H new ATOM 0 HG1 THR A 63 -28.866 -21.447 -19.544 1.00 53.34 H new ATOM 0 HG21 THR A 63 -29.006 -23.809 -19.214 1.00 52.54 H new ATOM 0 HG22 THR A 63 -27.791 -24.549 -18.146 1.00 52.54 H new ATOM 0 HG23 THR A 63 -29.072 -23.522 -17.459 1.00 52.54 H new ATOM 1010 N THR A 64 -24.445 -22.242 -18.207 1.00 35.11 N ATOM 1011 CA THR A 64 -23.115 -22.771 -18.476 1.00 21.02 C ATOM 1012 C THR A 64 -22.057 -21.678 -18.372 1.00 23.45 C ATOM 1013 O THR A 64 -22.333 -20.508 -18.637 1.00 61.30 O ATOM 1014 CB THR A 64 -23.038 -23.414 -19.873 1.00 5.42 C ATOM 1015 OG1 THR A 64 -23.818 -22.657 -20.804 1.00 73.44 O ATOM 1016 CG2 THR A 64 -23.535 -24.851 -19.836 1.00 24.04 C ATOM 0 H THR A 64 -24.648 -21.357 -18.671 1.00 35.11 H new ATOM 0 HA THR A 64 -22.920 -23.534 -17.722 1.00 21.02 H new ATOM 0 HB THR A 64 -21.995 -23.416 -20.191 1.00 5.42 H new ATOM 0 HG1 THR A 64 -23.762 -23.071 -21.690 1.00 73.44 H new ATOM 0 HG21 THR A 64 -23.471 -25.284 -20.834 1.00 24.04 H new ATOM 0 HG22 THR A 64 -22.919 -25.431 -19.149 1.00 24.04 H new ATOM 0 HG23 THR A 64 -24.571 -24.869 -19.499 1.00 24.04 H new ATOM 1024 N ARG A 65 -20.846 -22.068 -17.986 1.00 40.44 N ATOM 1025 CA ARG A 65 -19.747 -21.119 -17.848 1.00 33.20 C ATOM 1026 C ARG A 65 -19.579 -20.293 -19.119 1.00 44.44 C ATOM 1027 O ARG A 65 -19.286 -19.099 -19.060 1.00 51.21 O ATOM 1028 CB ARG A 65 -18.445 -21.858 -17.531 1.00 72.32 C ATOM 1029 CG ARG A 65 -18.217 -23.087 -18.396 1.00 64.12 C ATOM 1030 CD ARG A 65 -16.852 -23.050 -19.067 1.00 11.03 C ATOM 1031 NE ARG A 65 -16.281 -24.386 -19.219 1.00 54.22 N ATOM 1032 CZ ARG A 65 -15.114 -24.623 -19.808 1.00 60.14 C ATOM 1033 NH1 ARG A 65 -14.398 -23.620 -20.297 1.00 21.52 N ATOM 1034 NH2 ARG A 65 -14.661 -25.867 -19.909 1.00 11.30 N ATOM 0 H ARG A 65 -20.601 -23.033 -17.764 1.00 40.44 H new ATOM 0 HA ARG A 65 -19.984 -20.444 -17.026 1.00 33.20 H new ATOM 0 HB2 ARG A 65 -17.607 -21.173 -17.660 1.00 72.32 H new ATOM 0 HB3 ARG A 65 -18.453 -22.158 -16.483 1.00 72.32 H new ATOM 0 HG2 ARG A 65 -18.298 -23.985 -17.783 1.00 64.12 H new ATOM 0 HG3 ARG A 65 -18.996 -23.148 -19.156 1.00 64.12 H new ATOM 0 HD2 ARG A 65 -16.942 -22.581 -20.047 1.00 11.03 H new ATOM 0 HD3 ARG A 65 -16.175 -22.431 -18.478 1.00 11.03 H new ATOM 0 HE ARG A 65 -16.807 -25.180 -18.853 1.00 54.22 H new ATOM 0 HH11 ARG A 65 -14.743 -22.663 -20.222 1.00 21.52 H new ATOM 0 HH12 ARG A 65 -13.502 -23.805 -20.749 1.00 21.52 H new ATOM 0 HH21 ARG A 65 -15.209 -26.641 -19.534 1.00 11.30 H new ATOM 0 HH22 ARG A 65 -13.765 -26.048 -20.361 1.00 11.30 H new ATOM 1048 N GLU A 66 -19.766 -20.936 -20.267 1.00 53.15 N ATOM 1049 CA GLU A 66 -19.635 -20.259 -21.552 1.00 21.40 C ATOM 1050 C GLU A 66 -20.510 -19.010 -21.602 1.00 1.12 C ATOM 1051 O GLU A 66 -20.171 -18.027 -22.262 1.00 42.32 O ATOM 1052 CB GLU A 66 -20.012 -21.206 -22.693 1.00 21.32 C ATOM 1053 CG GLU A 66 -19.011 -22.328 -22.910 1.00 63.03 C ATOM 1054 CD GLU A 66 -17.637 -21.817 -23.298 1.00 74.54 C ATOM 1055 OE1 GLU A 66 -17.554 -20.981 -24.222 1.00 10.30 O ATOM 1056 OE2 GLU A 66 -16.645 -22.254 -22.678 1.00 13.11 O ATOM 0 H GLU A 66 -20.009 -21.924 -20.334 1.00 53.15 H new ATOM 0 HA GLU A 66 -18.594 -19.956 -21.669 1.00 21.40 H new ATOM 0 HB2 GLU A 66 -20.991 -21.639 -22.486 1.00 21.32 H new ATOM 0 HB3 GLU A 66 -20.106 -20.631 -23.614 1.00 21.32 H new ATOM 0 HG2 GLU A 66 -18.930 -22.919 -21.998 1.00 63.03 H new ATOM 0 HG3 GLU A 66 -19.381 -22.994 -23.690 1.00 63.03 H new ATOM 1063 N LEU A 67 -21.637 -19.056 -20.900 1.00 72.30 N ATOM 1064 CA LEU A 67 -22.562 -17.929 -20.864 1.00 73.30 C ATOM 1065 C LEU A 67 -22.055 -16.839 -19.927 1.00 13.51 C ATOM 1066 O LEU A 67 -22.192 -15.650 -20.211 1.00 41.34 O ATOM 1067 CB LEU A 67 -23.949 -18.398 -20.418 1.00 50.45 C ATOM 1068 CG LEU A 67 -25.138 -17.710 -21.091 1.00 62.34 C ATOM 1069 CD1 LEU A 67 -25.087 -17.913 -22.598 1.00 14.21 C ATOM 1070 CD2 LEU A 67 -26.448 -18.234 -20.524 1.00 30.44 C ATOM 0 H LEU A 67 -21.932 -19.862 -20.348 1.00 72.30 H new ATOM 0 HA LEU A 67 -22.631 -17.514 -21.869 1.00 73.30 H new ATOM 0 HB2 LEU A 67 -24.024 -19.470 -20.600 1.00 50.45 H new ATOM 0 HB3 LEU A 67 -24.032 -18.251 -19.341 1.00 50.45 H new ATOM 0 HG LEU A 67 -25.080 -16.641 -20.886 1.00 62.34 H new ATOM 0 HD11 LEU A 67 -25.940 -17.417 -23.061 1.00 14.21 H new ATOM 0 HD12 LEU A 67 -24.163 -17.489 -22.991 1.00 14.21 H new ATOM 0 HD13 LEU A 67 -25.121 -18.979 -22.823 1.00 14.21 H new ATOM 0 HD21 LEU A 67 -27.283 -17.733 -21.014 1.00 30.44 H new ATOM 0 HD22 LEU A 67 -26.516 -19.308 -20.698 1.00 30.44 H new ATOM 0 HD23 LEU A 67 -26.485 -18.037 -19.453 1.00 30.44 H new ATOM 1082 N ALA A 68 -21.467 -17.253 -18.809 1.00 50.44 N ATOM 1083 CA ALA A 68 -20.935 -16.311 -17.832 1.00 54.24 C ATOM 1084 C ALA A 68 -19.755 -15.532 -18.405 1.00 73.10 C ATOM 1085 O ALA A 68 -19.828 -14.315 -18.579 1.00 73.34 O ATOM 1086 CB ALA A 68 -20.521 -17.042 -16.564 1.00 33.05 C ATOM 0 H ALA A 68 -21.347 -18.234 -18.558 1.00 50.44 H new ATOM 0 HA ALA A 68 -21.722 -15.598 -17.587 1.00 54.24 H new ATOM 0 HB1 ALA A 68 -20.126 -16.326 -15.844 1.00 33.05 H new ATOM 0 HB2 ALA A 68 -21.387 -17.547 -16.136 1.00 33.05 H new ATOM 0 HB3 ALA A 68 -19.753 -17.778 -16.803 1.00 33.05 H new ATOM 1092 N ILE A 69 -18.670 -16.241 -18.695 1.00 71.24 N ATOM 1093 CA ILE A 69 -17.475 -15.616 -19.248 1.00 63.50 C ATOM 1094 C ILE A 69 -17.814 -14.769 -20.470 1.00 65.03 C ATOM 1095 O ILE A 69 -17.203 -13.727 -20.704 1.00 24.32 O ATOM 1096 CB ILE A 69 -16.421 -16.668 -19.643 1.00 20.44 C ATOM 1097 CG1 ILE A 69 -15.968 -17.454 -18.412 1.00 21.41 C ATOM 1098 CG2 ILE A 69 -15.233 -15.999 -20.319 1.00 35.23 C ATOM 1099 CD1 ILE A 69 -16.481 -18.877 -18.380 1.00 61.13 C ATOM 0 H ILE A 69 -18.594 -17.249 -18.556 1.00 71.24 H new ATOM 0 HA ILE A 69 -17.063 -14.976 -18.468 1.00 63.50 H new ATOM 0 HB ILE A 69 -16.871 -17.365 -20.350 1.00 20.44 H new ATOM 0 HG12 ILE A 69 -14.879 -17.469 -18.381 1.00 21.41 H new ATOM 0 HG13 ILE A 69 -16.305 -16.935 -17.515 1.00 21.41 H new ATOM 0 HG21 ILE A 69 -14.497 -16.755 -20.592 1.00 35.23 H new ATOM 0 HG22 ILE A 69 -15.570 -15.480 -21.216 1.00 35.23 H new ATOM 0 HG23 ILE A 69 -14.780 -15.283 -19.633 1.00 35.23 H new ATOM 0 HD11 ILE A 69 -16.120 -19.374 -17.479 1.00 61.13 H new ATOM 0 HD12 ILE A 69 -17.571 -18.871 -18.379 1.00 61.13 H new ATOM 0 HD13 ILE A 69 -16.122 -19.413 -19.259 1.00 61.13 H new ATOM 1111 N ALA A 70 -18.792 -15.224 -21.246 1.00 54.44 N ATOM 1112 CA ALA A 70 -19.216 -14.506 -22.441 1.00 42.52 C ATOM 1113 C ALA A 70 -19.695 -13.099 -22.096 1.00 71.40 C ATOM 1114 O ALA A 70 -19.522 -12.165 -22.879 1.00 60.22 O ATOM 1115 CB ALA A 70 -20.313 -15.277 -23.160 1.00 45.23 C ATOM 0 H ALA A 70 -19.306 -16.087 -21.068 1.00 54.44 H new ATOM 0 HA ALA A 70 -18.356 -14.417 -23.104 1.00 42.52 H new ATOM 0 HB1 ALA A 70 -20.620 -14.728 -24.051 1.00 45.23 H new ATOM 0 HB2 ALA A 70 -19.938 -16.259 -23.450 1.00 45.23 H new ATOM 0 HB3 ALA A 70 -21.169 -15.397 -22.496 1.00 45.23 H new ATOM 1121 N TYR A 71 -20.296 -12.955 -20.921 1.00 31.21 N ATOM 1122 CA TYR A 71 -20.803 -11.663 -20.474 1.00 21.20 C ATOM 1123 C TYR A 71 -19.662 -10.757 -20.024 1.00 24.42 C ATOM 1124 O TYR A 71 -19.540 -9.620 -20.479 1.00 64.53 O ATOM 1125 CB TYR A 71 -21.801 -11.851 -19.331 1.00 32.15 C ATOM 1126 CG TYR A 71 -22.561 -10.593 -18.978 1.00 12.42 C ATOM 1127 CD1 TYR A 71 -23.059 -9.757 -19.969 1.00 3.32 C ATOM 1128 CD2 TYR A 71 -22.782 -10.240 -17.652 1.00 43.22 C ATOM 1129 CE1 TYR A 71 -23.753 -8.605 -19.651 1.00 75.15 C ATOM 1130 CE2 TYR A 71 -23.476 -9.091 -17.324 1.00 31.22 C ATOM 1131 CZ TYR A 71 -23.959 -8.277 -18.327 1.00 74.00 C ATOM 1132 OH TYR A 71 -24.652 -7.133 -18.006 1.00 45.33 O ATOM 0 H TYR A 71 -20.444 -13.718 -20.260 1.00 31.21 H new ATOM 0 HA TYR A 71 -21.309 -11.189 -21.315 1.00 21.20 H new ATOM 0 HB2 TYR A 71 -22.512 -12.630 -19.605 1.00 32.15 H new ATOM 0 HB3 TYR A 71 -21.267 -12.203 -18.448 1.00 32.15 H new ATOM 0 HD1 TYR A 71 -22.901 -10.012 -21.007 1.00 3.32 H new ATOM 0 HD2 TYR A 71 -22.405 -10.875 -16.864 1.00 43.22 H new ATOM 0 HE1 TYR A 71 -24.132 -7.965 -20.434 1.00 75.15 H new ATOM 0 HE2 TYR A 71 -23.639 -8.832 -16.288 1.00 31.22 H new ATOM 0 HH TYR A 71 -24.710 -7.048 -17.031 1.00 45.33 H new ATOM 1142 N ALA A 72 -18.827 -11.270 -19.127 1.00 4.14 N ATOM 1143 CA ALA A 72 -17.692 -10.509 -18.616 1.00 32.23 C ATOM 1144 C ALA A 72 -16.785 -10.047 -19.751 1.00 42.02 C ATOM 1145 O ALA A 72 -16.446 -8.868 -19.848 1.00 10.42 O ATOM 1146 CB ALA A 72 -16.906 -11.342 -17.615 1.00 42.51 C ATOM 0 H ALA A 72 -18.914 -12.209 -18.739 1.00 4.14 H new ATOM 0 HA ALA A 72 -18.078 -9.623 -18.111 1.00 32.23 H new ATOM 0 HB1 ALA A 72 -16.062 -10.762 -17.242 1.00 42.51 H new ATOM 0 HB2 ALA A 72 -17.554 -11.617 -16.782 1.00 42.51 H new ATOM 0 HB3 ALA A 72 -16.538 -12.245 -18.102 1.00 42.51 H new ATOM 1152 N VAL A 73 -16.395 -10.984 -20.609 1.00 21.22 N ATOM 1153 CA VAL A 73 -15.527 -10.673 -21.738 1.00 44.31 C ATOM 1154 C VAL A 73 -16.153 -9.613 -22.637 1.00 74.50 C ATOM 1155 O VAL A 73 -15.451 -8.809 -23.249 1.00 25.44 O ATOM 1156 CB VAL A 73 -15.225 -11.929 -22.577 1.00 41.10 C ATOM 1157 CG1 VAL A 73 -14.351 -11.577 -23.772 1.00 13.52 C ATOM 1158 CG2 VAL A 73 -14.562 -12.996 -21.719 1.00 2.22 C ATOM 0 H VAL A 73 -16.667 -11.965 -20.544 1.00 21.22 H new ATOM 0 HA VAL A 73 -14.595 -10.289 -21.324 1.00 44.31 H new ATOM 0 HB VAL A 73 -16.167 -12.329 -22.951 1.00 41.10 H new ATOM 0 HG11 VAL A 73 -14.149 -12.477 -24.352 1.00 13.52 H new ATOM 0 HG12 VAL A 73 -14.867 -10.850 -24.399 1.00 13.52 H new ATOM 0 HG13 VAL A 73 -13.410 -11.152 -23.422 1.00 13.52 H new ATOM 0 HG21 VAL A 73 -14.356 -13.876 -22.328 1.00 2.22 H new ATOM 0 HG22 VAL A 73 -13.627 -12.608 -21.314 1.00 2.22 H new ATOM 0 HG23 VAL A 73 -15.227 -13.269 -20.900 1.00 2.22 H new ATOM 1168 N ALA A 74 -17.480 -9.619 -22.712 1.00 73.03 N ATOM 1169 CA ALA A 74 -18.202 -8.656 -23.535 1.00 75.32 C ATOM 1170 C ALA A 74 -17.761 -7.229 -23.226 1.00 62.42 C ATOM 1171 O ALA A 74 -17.792 -6.357 -24.095 1.00 63.32 O ATOM 1172 CB ALA A 74 -19.702 -8.803 -23.326 1.00 72.24 C ATOM 0 H ALA A 74 -18.076 -10.279 -22.213 1.00 73.03 H new ATOM 0 HA ALA A 74 -17.969 -8.862 -24.580 1.00 75.32 H new ATOM 0 HB1 ALA A 74 -20.229 -8.078 -23.947 1.00 72.24 H new ATOM 0 HB2 ALA A 74 -20.011 -9.811 -23.604 1.00 72.24 H new ATOM 0 HB3 ALA A 74 -19.942 -8.626 -22.278 1.00 72.24 H new ATOM 1178 N HIS A 75 -17.350 -6.998 -21.983 1.00 55.42 N ATOM 1179 CA HIS A 75 -16.903 -5.676 -21.560 1.00 5.33 C ATOM 1180 C HIS A 75 -15.468 -5.727 -21.044 1.00 30.23 C ATOM 1181 O HIS A 75 -15.056 -4.895 -20.236 1.00 71.14 O ATOM 1182 CB HIS A 75 -17.827 -5.124 -20.474 1.00 61.43 C ATOM 1183 CG HIS A 75 -19.165 -4.692 -20.990 1.00 13.14 C ATOM 1184 ND1 HIS A 75 -19.561 -3.372 -21.045 1.00 2.05 N ATOM 1185 CD2 HIS A 75 -20.202 -5.414 -21.477 1.00 72.22 C ATOM 1186 CE1 HIS A 75 -20.782 -3.301 -21.542 1.00 3.32 C ATOM 1187 NE2 HIS A 75 -21.194 -4.526 -21.813 1.00 75.02 N ATOM 0 H HIS A 75 -17.317 -7.709 -21.252 1.00 55.42 H new ATOM 0 HA HIS A 75 -16.937 -5.015 -22.426 1.00 5.33 H new ATOM 0 HB2 HIS A 75 -17.971 -5.887 -19.708 1.00 61.43 H new ATOM 0 HB3 HIS A 75 -17.341 -4.276 -19.992 1.00 61.43 H new ATOM 0 HD2 HIS A 75 -20.241 -6.488 -21.582 1.00 72.22 H new ATOM 0 HE1 HIS A 75 -21.348 -2.395 -21.700 1.00 3.32 H new ATOM 0 HE2 HIS A 75 -22.102 -4.773 -22.208 1.00 75.02 H new ATOM 1195 N LYS A 76 -14.709 -6.712 -21.516 1.00 40.52 N ATOM 1196 CA LYS A 76 -13.320 -6.873 -21.104 1.00 31.21 C ATOM 1197 C LYS A 76 -13.202 -6.887 -19.584 1.00 11.43 C ATOM 1198 O LYS A 76 -12.208 -6.422 -19.025 1.00 42.55 O ATOM 1199 CB LYS A 76 -12.461 -5.746 -21.683 1.00 54.22 C ATOM 1200 CG LYS A 76 -12.694 -5.503 -23.164 1.00 62.54 C ATOM 1201 CD LYS A 76 -12.241 -6.688 -24.001 1.00 64.50 C ATOM 1202 CE LYS A 76 -10.740 -6.909 -23.889 1.00 20.31 C ATOM 1203 NZ LYS A 76 -10.221 -7.761 -24.995 1.00 23.42 N ATOM 0 H LYS A 76 -15.034 -7.411 -22.185 1.00 40.52 H new ATOM 0 HA LYS A 76 -12.961 -7.828 -21.487 1.00 31.21 H new ATOM 0 HB2 LYS A 76 -12.667 -4.826 -21.136 1.00 54.22 H new ATOM 0 HB3 LYS A 76 -11.409 -5.984 -21.523 1.00 54.22 H new ATOM 0 HG2 LYS A 76 -13.753 -5.315 -23.341 1.00 62.54 H new ATOM 0 HG3 LYS A 76 -12.155 -4.608 -23.476 1.00 62.54 H new ATOM 0 HD2 LYS A 76 -12.767 -7.586 -23.677 1.00 64.50 H new ATOM 0 HD3 LYS A 76 -12.508 -6.521 -25.044 1.00 64.50 H new ATOM 0 HE2 LYS A 76 -10.229 -5.946 -23.902 1.00 20.31 H new ATOM 0 HE3 LYS A 76 -10.512 -7.378 -22.932 1.00 20.31 H new ATOM 0 HZ1 LYS A 76 -9.195 -7.888 -24.883 1.00 23.42 H new ATOM 0 HZ2 LYS A 76 -10.690 -8.689 -24.968 1.00 23.42 H new ATOM 0 HZ3 LYS A 76 -10.415 -7.302 -25.908 1.00 23.42 H new ATOM 1217 N ILE A 77 -14.220 -7.425 -18.921 1.00 30.02 N ATOM 1218 CA ILE A 77 -14.228 -7.502 -17.465 1.00 3.42 C ATOM 1219 C ILE A 77 -13.443 -8.715 -16.974 1.00 55.45 C ATOM 1220 O ILE A 77 -13.561 -9.807 -17.528 1.00 31.42 O ATOM 1221 CB ILE A 77 -15.664 -7.575 -16.913 1.00 4.03 C ATOM 1222 CG1 ILE A 77 -16.471 -6.357 -17.366 1.00 63.45 C ATOM 1223 CG2 ILE A 77 -15.643 -7.668 -15.395 1.00 1.25 C ATOM 1224 CD1 ILE A 77 -17.952 -6.473 -17.080 1.00 65.24 C ATOM 0 H ILE A 77 -15.050 -7.814 -19.369 1.00 30.02 H new ATOM 0 HA ILE A 77 -13.753 -6.592 -17.098 1.00 3.42 H new ATOM 0 HB ILE A 77 -16.144 -8.471 -17.306 1.00 4.03 H new ATOM 0 HG12 ILE A 77 -16.082 -5.468 -16.869 1.00 63.45 H new ATOM 0 HG13 ILE A 77 -16.326 -6.213 -18.437 1.00 63.45 H new ATOM 0 HG21 ILE A 77 -16.665 -7.719 -15.019 1.00 1.25 H new ATOM 0 HG22 ILE A 77 -15.100 -8.564 -15.093 1.00 1.25 H new ATOM 0 HG23 ILE A 77 -15.149 -6.788 -14.983 1.00 1.25 H new ATOM 0 HD11 ILE A 77 -18.461 -5.574 -17.428 1.00 65.24 H new ATOM 0 HD12 ILE A 77 -18.356 -7.342 -17.599 1.00 65.24 H new ATOM 0 HD13 ILE A 77 -18.108 -6.586 -16.007 1.00 65.24 H new ATOM 1236 N ASP A 78 -12.646 -8.514 -15.931 1.00 40.10 N ATOM 1237 CA ASP A 78 -11.845 -9.591 -15.363 1.00 10.34 C ATOM 1238 C ASP A 78 -12.727 -10.593 -14.624 1.00 61.41 C ATOM 1239 O ASP A 78 -13.232 -10.307 -13.538 1.00 31.42 O ATOM 1240 CB ASP A 78 -10.789 -9.024 -14.413 1.00 53.21 C ATOM 1241 CG ASP A 78 -9.877 -10.098 -13.853 1.00 42.22 C ATOM 1242 OD1 ASP A 78 -8.888 -10.447 -14.530 1.00 60.20 O ATOM 1243 OD2 ASP A 78 -10.152 -10.589 -12.739 1.00 31.41 O ATOM 0 H ASP A 78 -12.537 -7.615 -15.462 1.00 40.10 H new ATOM 0 HA ASP A 78 -11.345 -10.109 -16.181 1.00 10.34 H new ATOM 0 HB2 ASP A 78 -10.190 -8.282 -14.941 1.00 53.21 H new ATOM 0 HB3 ASP A 78 -11.284 -8.507 -13.591 1.00 53.21 H new ATOM 1248 N TYR A 79 -12.909 -11.766 -15.220 1.00 24.33 N ATOM 1249 CA TYR A 79 -13.732 -12.809 -14.621 1.00 40.34 C ATOM 1250 C TYR A 79 -12.865 -13.863 -13.939 1.00 32.25 C ATOM 1251 O TYR A 79 -11.830 -14.271 -14.467 1.00 32.02 O ATOM 1252 CB TYR A 79 -14.613 -13.468 -15.685 1.00 1.51 C ATOM 1253 CG TYR A 79 -13.829 -14.112 -16.805 1.00 31.22 C ATOM 1254 CD1 TYR A 79 -13.329 -15.402 -16.676 1.00 4.12 C ATOM 1255 CD2 TYR A 79 -13.587 -13.432 -17.992 1.00 52.31 C ATOM 1256 CE1 TYR A 79 -12.611 -15.995 -17.697 1.00 14.05 C ATOM 1257 CE2 TYR A 79 -12.872 -14.019 -19.018 1.00 52.55 C ATOM 1258 CZ TYR A 79 -12.386 -15.300 -18.866 1.00 61.11 C ATOM 1259 OH TYR A 79 -11.672 -15.886 -19.886 1.00 33.35 O ATOM 0 H TYR A 79 -12.497 -12.018 -16.118 1.00 24.33 H new ATOM 0 HA TYR A 79 -14.369 -12.345 -13.868 1.00 40.34 H new ATOM 0 HB2 TYR A 79 -15.239 -14.223 -15.210 1.00 1.51 H new ATOM 0 HB3 TYR A 79 -15.283 -12.718 -16.106 1.00 1.51 H new ATOM 0 HD1 TYR A 79 -13.504 -15.950 -15.762 1.00 4.12 H new ATOM 0 HD2 TYR A 79 -13.964 -12.427 -18.115 1.00 52.31 H new ATOM 0 HE1 TYR A 79 -12.228 -16.998 -17.580 1.00 14.05 H new ATOM 0 HE2 TYR A 79 -12.695 -13.477 -19.935 1.00 52.55 H new ATOM 0 HH TYR A 79 -11.605 -15.262 -20.639 1.00 33.35 H new ATOM 1269 N THR A 80 -13.297 -14.302 -12.760 1.00 22.53 N ATOM 1270 CA THR A 80 -12.562 -15.308 -12.004 1.00 21.31 C ATOM 1271 C THR A 80 -13.369 -16.595 -11.872 1.00 4.14 C ATOM 1272 O THR A 80 -14.552 -16.566 -11.531 1.00 44.33 O ATOM 1273 CB THR A 80 -12.196 -14.798 -10.597 1.00 54.43 C ATOM 1274 OG1 THR A 80 -11.692 -15.876 -9.801 1.00 14.51 O ATOM 1275 CG2 THR A 80 -13.407 -14.179 -9.915 1.00 13.32 C ATOM 0 H THR A 80 -14.152 -13.976 -12.309 1.00 22.53 H new ATOM 0 HA THR A 80 -11.646 -15.512 -12.558 1.00 21.31 H new ATOM 0 HB THR A 80 -11.426 -14.033 -10.700 1.00 54.43 H new ATOM 0 HG1 THR A 80 -11.460 -15.543 -8.909 1.00 14.51 H new ATOM 0 HG21 THR A 80 -13.125 -13.826 -8.923 1.00 13.32 H new ATOM 0 HG22 THR A 80 -13.770 -13.340 -10.509 1.00 13.32 H new ATOM 0 HG23 THR A 80 -14.195 -14.927 -9.824 1.00 13.32 H new ATOM 1283 N VAL A 81 -12.722 -17.724 -12.142 1.00 11.02 N ATOM 1284 CA VAL A 81 -13.379 -19.022 -12.052 1.00 12.45 C ATOM 1285 C VAL A 81 -13.067 -19.705 -10.724 1.00 64.20 C ATOM 1286 O VAL A 81 -11.907 -19.984 -10.415 1.00 72.40 O ATOM 1287 CB VAL A 81 -12.954 -19.949 -13.205 1.00 71.23 C ATOM 1288 CG1 VAL A 81 -13.522 -19.451 -14.526 1.00 34.13 C ATOM 1289 CG2 VAL A 81 -11.439 -20.053 -13.273 1.00 23.22 C ATOM 0 H VAL A 81 -11.743 -17.766 -12.425 1.00 11.02 H new ATOM 0 HA VAL A 81 -14.451 -18.838 -12.121 1.00 12.45 H new ATOM 0 HB VAL A 81 -13.356 -20.945 -13.016 1.00 71.23 H new ATOM 0 HG11 VAL A 81 -13.212 -20.118 -15.330 1.00 34.13 H new ATOM 0 HG12 VAL A 81 -14.610 -19.432 -14.470 1.00 34.13 H new ATOM 0 HG13 VAL A 81 -13.151 -18.446 -14.725 1.00 34.13 H new ATOM 0 HG21 VAL A 81 -11.156 -20.712 -14.094 1.00 23.22 H new ATOM 0 HG22 VAL A 81 -11.013 -19.063 -13.439 1.00 23.22 H new ATOM 0 HG23 VAL A 81 -11.060 -20.458 -12.335 1.00 23.22 H new ATOM 1299 N LEU A 82 -14.107 -19.972 -9.943 1.00 32.14 N ATOM 1300 CA LEU A 82 -13.944 -20.623 -8.648 1.00 34.51 C ATOM 1301 C LEU A 82 -14.481 -22.051 -8.685 1.00 21.13 C ATOM 1302 O LEU A 82 -15.649 -22.277 -9.000 1.00 43.45 O ATOM 1303 CB LEU A 82 -14.662 -19.824 -7.558 1.00 74.24 C ATOM 1304 CG LEU A 82 -14.082 -18.445 -7.246 1.00 53.45 C ATOM 1305 CD1 LEU A 82 -15.014 -17.670 -6.327 1.00 2.22 C ATOM 1306 CD2 LEU A 82 -12.701 -18.575 -6.622 1.00 30.21 C ATOM 0 H LEU A 82 -15.073 -19.748 -10.184 1.00 32.14 H new ATOM 0 HA LEU A 82 -12.879 -20.660 -8.420 1.00 34.51 H new ATOM 0 HB2 LEU A 82 -15.704 -19.700 -7.853 1.00 74.24 H new ATOM 0 HB3 LEU A 82 -14.659 -20.414 -6.641 1.00 74.24 H new ATOM 0 HG LEU A 82 -13.985 -17.893 -8.181 1.00 53.45 H new ATOM 0 HD11 LEU A 82 -14.585 -16.691 -6.116 1.00 2.22 H new ATOM 0 HD12 LEU A 82 -15.982 -17.545 -6.812 1.00 2.22 H new ATOM 0 HD13 LEU A 82 -15.144 -18.218 -5.394 1.00 2.22 H new ATOM 0 HD21 LEU A 82 -12.304 -17.583 -6.407 1.00 30.21 H new ATOM 0 HD22 LEU A 82 -12.772 -19.146 -5.696 1.00 30.21 H new ATOM 0 HD23 LEU A 82 -12.035 -19.089 -7.315 1.00 30.21 H new ATOM 1318 N GLN A 83 -13.621 -23.010 -8.358 1.00 73.15 N ATOM 1319 CA GLN A 83 -14.011 -24.415 -8.354 1.00 24.12 C ATOM 1320 C GLN A 83 -13.750 -25.047 -6.990 1.00 74.12 C ATOM 1321 O GLN A 83 -12.696 -24.840 -6.390 1.00 32.02 O ATOM 1322 CB GLN A 83 -13.248 -25.181 -9.436 1.00 74.03 C ATOM 1323 CG GLN A 83 -11.745 -25.215 -9.216 1.00 3.42 C ATOM 1324 CD GLN A 83 -10.976 -25.539 -10.481 1.00 44.33 C ATOM 1325 OE1 GLN A 83 -11.447 -26.295 -11.331 1.00 43.42 O ATOM 1326 NE2 GLN A 83 -9.785 -24.966 -10.613 1.00 71.15 N ATOM 0 H GLN A 83 -12.651 -22.840 -8.093 1.00 73.15 H new ATOM 0 HA GLN A 83 -15.079 -24.470 -8.564 1.00 24.12 H new ATOM 0 HB2 GLN A 83 -13.623 -26.203 -9.478 1.00 74.03 H new ATOM 0 HB3 GLN A 83 -13.454 -24.726 -10.405 1.00 74.03 H new ATOM 0 HG2 GLN A 83 -11.416 -24.249 -8.833 1.00 3.42 H new ATOM 0 HG3 GLN A 83 -11.510 -25.957 -8.453 1.00 3.42 H new ATOM 0 HE21 GLN A 83 -9.434 -24.346 -9.883 1.00 71.15 H new ATOM 0 HE22 GLN A 83 -9.222 -25.146 -11.444 1.00 71.15 H new ATOM 1335 N ASP A 84 -14.719 -25.817 -6.506 1.00 44.32 N ATOM 1336 CA ASP A 84 -14.596 -26.480 -5.213 1.00 24.13 C ATOM 1337 C ASP A 84 -13.476 -27.515 -5.238 1.00 61.42 C ATOM 1338 O ASP A 84 -13.446 -28.390 -6.103 1.00 24.51 O ATOM 1339 CB ASP A 84 -15.917 -27.148 -4.830 1.00 51.03 C ATOM 1340 CG ASP A 84 -16.001 -27.456 -3.349 1.00 14.31 C ATOM 1341 OD1 ASP A 84 -15.111 -28.167 -2.838 1.00 72.43 O ATOM 1342 OD2 ASP A 84 -16.960 -26.986 -2.698 1.00 62.33 O ATOM 0 H ASP A 84 -15.599 -25.997 -6.990 1.00 44.32 H new ATOM 0 HA ASP A 84 -14.351 -25.724 -4.467 1.00 24.13 H new ATOM 0 HB2 ASP A 84 -16.745 -26.497 -5.110 1.00 51.03 H new ATOM 0 HB3 ASP A 84 -16.032 -28.072 -5.397 1.00 51.03 H new ATOM 1347 N ASN A 85 -12.556 -27.409 -4.284 1.00 42.15 N ATOM 1348 CA ASN A 85 -11.433 -28.336 -4.199 1.00 51.31 C ATOM 1349 C ASN A 85 -10.611 -28.313 -5.483 1.00 24.35 C ATOM 1350 O ASN A 85 -10.640 -29.248 -6.284 1.00 72.03 O ATOM 1351 CB ASN A 85 -11.936 -29.755 -3.925 1.00 61.14 C ATOM 1352 CG ASN A 85 -10.835 -30.672 -3.431 1.00 14.11 C ATOM 1353 OD1 ASN A 85 -10.467 -31.638 -4.101 1.00 40.23 O ATOM 1354 ND2 ASN A 85 -10.303 -30.375 -2.250 1.00 74.41 N ATOM 0 H ASN A 85 -12.566 -26.691 -3.560 1.00 42.15 H new ATOM 0 HA ASN A 85 -10.794 -28.020 -3.375 1.00 51.31 H new ATOM 0 HB2 ASN A 85 -12.734 -29.718 -3.184 1.00 61.14 H new ATOM 0 HB3 ASN A 85 -12.367 -30.167 -4.837 1.00 61.14 H new ATOM 0 HD21 ASN A 85 -9.559 -30.957 -1.865 1.00 74.41 H new ATOM 0 HD22 ASN A 85 -10.638 -29.565 -1.729 1.00 74.41 H new ATOM 1361 N PRO A 86 -9.857 -27.222 -5.685 1.00 15.13 N ATOM 1362 CA PRO A 86 -9.010 -27.052 -6.869 1.00 52.21 C ATOM 1363 C PRO A 86 -7.814 -27.997 -6.867 1.00 73.43 C ATOM 1364 O PRO A 86 -7.326 -28.394 -5.808 1.00 61.53 O ATOM 1365 CB PRO A 86 -8.543 -25.598 -6.766 1.00 12.05 C ATOM 1366 CG PRO A 86 -8.614 -25.280 -5.312 1.00 5.24 C ATOM 1367 CD PRO A 86 -9.773 -26.070 -4.771 1.00 12.24 C ATOM 0 HA PRO A 86 -9.548 -27.277 -7.790 1.00 52.21 H new ATOM 0 HB2 PRO A 86 -7.529 -25.480 -7.148 1.00 12.05 H new ATOM 0 HB3 PRO A 86 -9.182 -24.934 -7.348 1.00 12.05 H new ATOM 0 HG2 PRO A 86 -7.687 -25.552 -4.807 1.00 5.24 H new ATOM 0 HG3 PRO A 86 -8.762 -24.212 -5.153 1.00 5.24 H new ATOM 0 HD2 PRO A 86 -9.599 -26.385 -3.742 1.00 12.24 H new ATOM 0 HD3 PRO A 86 -10.694 -25.486 -4.774 1.00 12.24 H new ATOM 1375 N ARG A 87 -7.346 -28.355 -8.059 1.00 2.34 N ATOM 1376 CA ARG A 87 -6.206 -29.254 -8.194 1.00 11.44 C ATOM 1377 C ARG A 87 -5.473 -29.008 -9.509 1.00 22.34 C ATOM 1378 O ARG A 87 -6.093 -28.871 -10.563 1.00 54.13 O ATOM 1379 CB ARG A 87 -6.668 -30.711 -8.119 1.00 32.12 C ATOM 1380 CG ARG A 87 -5.535 -31.716 -8.242 1.00 22.34 C ATOM 1381 CD ARG A 87 -6.000 -33.125 -7.906 1.00 45.42 C ATOM 1382 NE ARG A 87 -5.019 -34.133 -8.298 1.00 41.22 N ATOM 1383 CZ ARG A 87 -5.019 -35.377 -7.834 1.00 73.11 C ATOM 1384 NH1 ARG A 87 -5.944 -35.765 -6.967 1.00 12.01 N ATOM 1385 NH2 ARG A 87 -4.094 -36.238 -8.239 1.00 51.31 N ATOM 0 H ARG A 87 -7.739 -28.036 -8.945 1.00 2.34 H new ATOM 0 HA ARG A 87 -5.518 -29.055 -7.372 1.00 11.44 H new ATOM 0 HB2 ARG A 87 -7.184 -30.872 -7.172 1.00 32.12 H new ATOM 0 HB3 ARG A 87 -7.393 -30.895 -8.912 1.00 32.12 H new ATOM 0 HG2 ARG A 87 -5.138 -31.695 -9.257 1.00 22.34 H new ATOM 0 HG3 ARG A 87 -4.721 -31.432 -7.575 1.00 22.34 H new ATOM 0 HD2 ARG A 87 -6.188 -33.199 -6.835 1.00 45.42 H new ATOM 0 HD3 ARG A 87 -6.946 -33.324 -8.410 1.00 45.42 H new ATOM 0 HE ARG A 87 -4.294 -33.867 -8.965 1.00 41.22 H new ATOM 0 HH11 ARG A 87 -6.658 -35.107 -6.655 1.00 12.01 H new ATOM 0 HH12 ARG A 87 -5.941 -36.721 -6.612 1.00 12.01 H new ATOM 0 HH21 ARG A 87 -3.382 -35.944 -8.908 1.00 51.31 H new ATOM 0 HH22 ARG A 87 -4.095 -37.193 -7.882 1.00 51.31 H new ATOM 1399 N THR A 88 -4.146 -28.954 -9.439 1.00 22.52 N ATOM 1400 CA THR A 88 -3.328 -28.724 -10.622 1.00 63.12 C ATOM 1401 C THR A 88 -3.441 -29.885 -11.605 1.00 1.40 C ATOM 1402 O THR A 88 -3.162 -31.033 -11.258 1.00 13.23 O ATOM 1403 CB THR A 88 -1.846 -28.525 -10.251 1.00 34.21 C ATOM 1404 OG1 THR A 88 -1.710 -27.410 -9.363 1.00 2.24 O ATOM 1405 CG2 THR A 88 -1.003 -28.295 -11.496 1.00 5.35 C ATOM 0 H THR A 88 -3.616 -29.067 -8.575 1.00 22.52 H new ATOM 0 HA THR A 88 -3.703 -27.815 -11.092 1.00 63.12 H new ATOM 0 HB THR A 88 -1.493 -29.429 -9.755 1.00 34.21 H new ATOM 0 HG1 THR A 88 -0.766 -27.291 -9.130 1.00 2.24 H new ATOM 0 HG21 THR A 88 0.039 -28.157 -11.209 1.00 5.35 H new ATOM 0 HG22 THR A 88 -1.086 -29.158 -12.156 1.00 5.35 H new ATOM 0 HG23 THR A 88 -1.357 -27.405 -12.016 1.00 5.35 H new ATOM 1413 N ILE A 89 -3.853 -29.579 -12.830 1.00 22.00 N ATOM 1414 CA ILE A 89 -4.001 -30.597 -13.862 1.00 52.20 C ATOM 1415 C ILE A 89 -2.651 -30.968 -14.467 1.00 33.10 C ATOM 1416 O ILE A 89 -1.799 -30.107 -14.686 1.00 32.20 O ATOM 1417 CB ILE A 89 -4.942 -30.126 -14.986 1.00 75.45 C ATOM 1418 CG1 ILE A 89 -6.249 -29.588 -14.396 1.00 65.42 C ATOM 1419 CG2 ILE A 89 -5.223 -31.265 -15.956 1.00 0.55 C ATOM 1420 CD1 ILE A 89 -7.207 -29.056 -15.438 1.00 51.34 C ATOM 0 H ILE A 89 -4.090 -28.634 -13.132 1.00 22.00 H new ATOM 0 HA ILE A 89 -4.434 -31.474 -13.380 1.00 52.20 H new ATOM 0 HB ILE A 89 -4.453 -29.321 -15.534 1.00 75.45 H new ATOM 0 HG12 ILE A 89 -6.740 -30.383 -13.835 1.00 65.42 H new ATOM 0 HG13 ILE A 89 -6.018 -28.793 -13.687 1.00 65.42 H new ATOM 0 HG21 ILE A 89 -5.890 -30.915 -16.744 1.00 0.55 H new ATOM 0 HG22 ILE A 89 -4.287 -31.606 -16.397 1.00 0.55 H new ATOM 0 HG23 ILE A 89 -5.694 -32.090 -15.422 1.00 0.55 H new ATOM 0 HD11 ILE A 89 -8.111 -28.692 -14.949 1.00 51.34 H new ATOM 0 HD12 ILE A 89 -6.735 -28.239 -15.983 1.00 51.34 H new ATOM 0 HD13 ILE A 89 -7.467 -29.854 -16.134 1.00 51.34 H new ATOM 1432 N VAL A 90 -2.464 -32.256 -14.736 1.00 15.24 N ATOM 1433 CA VAL A 90 -1.219 -32.743 -15.318 1.00 4.02 C ATOM 1434 C VAL A 90 -1.453 -33.325 -16.707 1.00 24.45 C ATOM 1435 O VAL A 90 -1.384 -34.537 -16.919 1.00 40.42 O ATOM 1436 CB VAL A 90 -0.563 -33.814 -14.427 1.00 73.31 C ATOM 1437 CG1 VAL A 90 0.047 -33.178 -13.187 1.00 54.23 C ATOM 1438 CG2 VAL A 90 -1.578 -34.881 -14.044 1.00 23.33 C ATOM 0 H VAL A 90 -3.159 -32.981 -14.560 1.00 15.24 H new ATOM 0 HA VAL A 90 -0.549 -31.887 -15.395 1.00 4.02 H new ATOM 0 HB VAL A 90 0.238 -34.291 -14.992 1.00 73.31 H new ATOM 0 HG11 VAL A 90 0.506 -33.951 -12.570 1.00 54.23 H new ATOM 0 HG12 VAL A 90 0.805 -32.454 -13.485 1.00 54.23 H new ATOM 0 HG13 VAL A 90 -0.732 -32.673 -12.616 1.00 54.23 H new ATOM 0 HG21 VAL A 90 -1.098 -35.630 -13.414 1.00 23.33 H new ATOM 0 HG22 VAL A 90 -2.401 -34.421 -13.497 1.00 23.33 H new ATOM 0 HG23 VAL A 90 -1.963 -35.357 -14.946 1.00 23.33 H new ATOM 1448 N PRO A 91 -1.735 -32.445 -17.679 1.00 35.34 N ATOM 1449 CA PRO A 91 -1.983 -32.849 -19.065 1.00 33.42 C ATOM 1450 C PRO A 91 -0.723 -33.357 -19.756 1.00 43.23 C ATOM 1451 O PRO A 91 0.059 -32.574 -20.299 1.00 10.53 O ATOM 1452 CB PRO A 91 -2.474 -31.560 -19.729 1.00 15.54 C ATOM 1453 CG PRO A 91 -1.888 -30.465 -18.906 1.00 42.14 C ATOM 1454 CD PRO A 91 -1.832 -30.987 -17.499 1.00 10.44 C ATOM 0 HA PRO A 91 -2.693 -33.674 -19.127 1.00 33.42 H new ATOM 0 HB2 PRO A 91 -2.143 -31.497 -20.766 1.00 15.54 H new ATOM 0 HB3 PRO A 91 -3.563 -31.509 -19.739 1.00 15.54 H new ATOM 0 HG2 PRO A 91 -0.893 -30.199 -19.263 1.00 42.14 H new ATOM 0 HG3 PRO A 91 -2.499 -29.564 -18.964 1.00 42.14 H new ATOM 0 HD2 PRO A 91 -0.973 -30.591 -16.958 1.00 10.44 H new ATOM 0 HD3 PRO A 91 -2.721 -30.710 -16.932 1.00 10.44 H new ATOM 1462 N LYS A 92 -0.529 -34.670 -19.735 1.00 31.04 N ATOM 1463 CA LYS A 92 0.637 -35.283 -20.361 1.00 13.24 C ATOM 1464 C LYS A 92 0.779 -34.827 -21.809 1.00 3.24 C ATOM 1465 O LYS A 92 -0.038 -35.172 -22.662 1.00 53.30 O ATOM 1466 CB LYS A 92 0.528 -36.809 -20.304 1.00 5.13 C ATOM 1467 CG LYS A 92 1.652 -37.526 -21.034 1.00 52.44 C ATOM 1468 CD LYS A 92 1.453 -39.032 -21.020 1.00 31.42 C ATOM 1469 CE LYS A 92 2.683 -39.761 -21.536 1.00 25.44 C ATOM 1470 NZ LYS A 92 2.526 -41.240 -21.459 1.00 1.20 N ATOM 0 H LYS A 92 -1.165 -35.332 -19.291 1.00 31.04 H new ATOM 0 HA LYS A 92 1.523 -34.967 -19.810 1.00 13.24 H new ATOM 0 HB2 LYS A 92 0.523 -37.126 -19.261 1.00 5.13 H new ATOM 0 HB3 LYS A 92 -0.426 -37.113 -20.734 1.00 5.13 H new ATOM 0 HG2 LYS A 92 1.701 -37.174 -22.064 1.00 52.44 H new ATOM 0 HG3 LYS A 92 2.606 -37.280 -20.567 1.00 52.44 H new ATOM 0 HD2 LYS A 92 1.233 -39.362 -20.005 1.00 31.42 H new ATOM 0 HD3 LYS A 92 0.590 -39.292 -21.634 1.00 31.42 H new ATOM 0 HE2 LYS A 92 2.871 -39.469 -22.569 1.00 25.44 H new ATOM 0 HE3 LYS A 92 3.555 -39.458 -20.956 1.00 25.44 H new ATOM 0 HZ1 LYS A 92 3.386 -41.700 -21.820 1.00 1.20 H new ATOM 0 HZ2 LYS A 92 2.372 -41.522 -20.470 1.00 1.20 H new ATOM 0 HZ3 LYS A 92 1.710 -41.533 -22.033 1.00 1.20 H new ATOM 1484 N SER A 93 1.824 -34.050 -22.079 1.00 63.40 N ATOM 1485 CA SER A 93 2.073 -33.545 -23.425 1.00 13.53 C ATOM 1486 C SER A 93 3.526 -33.109 -23.581 1.00 71.41 C ATOM 1487 O SER A 93 4.246 -32.944 -22.596 1.00 33.43 O ATOM 1488 CB SER A 93 1.141 -32.372 -23.731 1.00 51.32 C ATOM 1489 OG SER A 93 -0.209 -32.797 -23.801 1.00 51.51 O ATOM 0 H SER A 93 2.511 -33.757 -21.384 1.00 63.40 H new ATOM 0 HA SER A 93 1.876 -34.351 -24.132 1.00 13.53 H new ATOM 0 HB2 SER A 93 1.246 -31.610 -22.959 1.00 51.32 H new ATOM 0 HB3 SER A 93 1.430 -31.911 -24.676 1.00 51.32 H new ATOM 0 HG SER A 93 -0.245 -33.776 -23.775 1.00 51.51 H new ATOM 1495 N TYR A 94 3.951 -32.924 -24.827 1.00 13.32 N ATOM 1496 CA TYR A 94 5.318 -32.510 -25.114 1.00 24.22 C ATOM 1497 C TYR A 94 5.413 -31.860 -26.491 1.00 1.42 C ATOM 1498 O TYR A 94 5.192 -32.509 -27.512 1.00 62.43 O ATOM 1499 CB TYR A 94 6.264 -33.710 -25.038 1.00 44.12 C ATOM 1500 CG TYR A 94 6.794 -33.976 -23.647 1.00 34.14 C ATOM 1501 CD1 TYR A 94 7.565 -33.031 -22.983 1.00 71.52 C ATOM 1502 CD2 TYR A 94 6.523 -35.174 -22.998 1.00 34.04 C ATOM 1503 CE1 TYR A 94 8.052 -33.271 -21.713 1.00 3.15 C ATOM 1504 CE2 TYR A 94 7.005 -35.422 -21.726 1.00 34.31 C ATOM 1505 CZ TYR A 94 7.769 -34.467 -21.088 1.00 34.11 C ATOM 1506 OH TYR A 94 8.251 -34.710 -19.822 1.00 71.43 O ATOM 0 H TYR A 94 3.368 -33.055 -25.653 1.00 13.32 H new ATOM 0 HA TYR A 94 5.613 -31.776 -24.364 1.00 24.22 H new ATOM 0 HB2 TYR A 94 5.741 -34.597 -25.394 1.00 44.12 H new ATOM 0 HB3 TYR A 94 7.104 -33.543 -25.712 1.00 44.12 H new ATOM 0 HD1 TYR A 94 7.788 -32.092 -23.468 1.00 71.52 H new ATOM 0 HD2 TYR A 94 5.926 -35.924 -23.495 1.00 34.04 H new ATOM 0 HE1 TYR A 94 8.652 -32.525 -21.212 1.00 3.15 H new ATOM 0 HE2 TYR A 94 6.785 -36.358 -21.235 1.00 34.31 H new ATOM 0 HH TYR A 94 7.960 -35.598 -19.526 1.00 71.43 H new ATOM 1516 N ALA A 95 5.744 -30.573 -26.509 1.00 52.03 N ATOM 1517 CA ALA A 95 5.870 -29.834 -27.760 1.00 12.33 C ATOM 1518 C ALA A 95 7.291 -29.918 -28.304 1.00 63.22 C ATOM 1519 O ALA A 95 8.152 -30.578 -27.722 1.00 23.23 O ATOM 1520 CB ALA A 95 5.465 -28.381 -27.558 1.00 11.24 C ATOM 0 H ALA A 95 5.930 -30.020 -25.672 1.00 52.03 H new ATOM 0 HA ALA A 95 5.201 -30.287 -28.491 1.00 12.33 H new ATOM 0 HB1 ALA A 95 5.564 -27.841 -28.500 1.00 11.24 H new ATOM 0 HB2 ALA A 95 4.429 -28.335 -27.221 1.00 11.24 H new ATOM 0 HB3 ALA A 95 6.111 -27.924 -26.808 1.00 11.24 H new ATOM 1526 N ASP A 96 7.531 -29.246 -29.426 1.00 3.15 N ATOM 1527 CA ASP A 96 8.849 -29.245 -30.050 1.00 1.34 C ATOM 1528 C ASP A 96 9.115 -27.918 -30.754 1.00 13.00 C ATOM 1529 O ASP A 96 8.247 -27.049 -30.810 1.00 75.34 O ATOM 1530 CB ASP A 96 8.966 -30.399 -31.046 1.00 42.11 C ATOM 1531 CG ASP A 96 9.380 -31.698 -30.383 1.00 50.54 C ATOM 1532 OD1 ASP A 96 10.540 -31.790 -29.931 1.00 45.04 O ATOM 1533 OD2 ASP A 96 8.543 -32.621 -30.315 1.00 15.24 O ATOM 0 H ASP A 96 6.830 -28.695 -29.921 1.00 3.15 H new ATOM 0 HA ASP A 96 9.596 -29.376 -29.267 1.00 1.34 H new ATOM 0 HB2 ASP A 96 8.009 -30.540 -31.548 1.00 42.11 H new ATOM 0 HB3 ASP A 96 9.694 -30.139 -31.815 1.00 42.11 H new ATOM 1538 N ASN A 97 10.322 -27.770 -31.290 1.00 0.02 N ATOM 1539 CA ASN A 97 10.703 -26.548 -31.989 1.00 20.31 C ATOM 1540 C ASN A 97 11.761 -26.837 -33.050 1.00 64.24 C ATOM 1541 O ASN A 97 12.924 -27.088 -32.732 1.00 52.50 O ATOM 1542 CB ASN A 97 11.231 -25.510 -30.997 1.00 34.44 C ATOM 1543 CG ASN A 97 12.289 -26.080 -30.072 1.00 22.11 C ATOM 1544 OD1 ASN A 97 13.487 -25.925 -30.311 1.00 13.43 O ATOM 1545 ND2 ASN A 97 11.850 -26.745 -29.009 1.00 33.51 N ATOM 0 H ASN A 97 11.053 -28.481 -31.254 1.00 0.02 H new ATOM 0 HA ASN A 97 9.816 -26.150 -32.482 1.00 20.31 H new ATOM 0 HB2 ASN A 97 11.649 -24.666 -31.546 1.00 34.44 H new ATOM 0 HB3 ASN A 97 10.402 -25.125 -30.403 1.00 34.44 H new ATOM 0 HD21 ASN A 97 12.515 -27.152 -28.351 1.00 33.51 H new ATOM 0 HD22 ASN A 97 10.848 -26.849 -28.850 1.00 33.51 H new ATOM 1552 N PHE A 98 11.349 -26.798 -34.314 1.00 24.35 N ATOM 1553 CA PHE A 98 12.261 -27.055 -35.422 1.00 24.23 C ATOM 1554 C PHE A 98 12.722 -25.749 -36.062 1.00 70.43 C ATOM 1555 O PHE A 98 11.909 -24.962 -36.550 1.00 23.15 O ATOM 1556 CB PHE A 98 11.585 -27.940 -36.471 1.00 64.21 C ATOM 1557 CG PHE A 98 11.643 -29.406 -36.148 1.00 52.22 C ATOM 1558 CD1 PHE A 98 12.815 -30.123 -36.329 1.00 71.22 C ATOM 1559 CD2 PHE A 98 10.526 -30.066 -35.662 1.00 14.11 C ATOM 1560 CE1 PHE A 98 12.870 -31.472 -36.032 1.00 52.54 C ATOM 1561 CE2 PHE A 98 10.576 -31.414 -35.363 1.00 34.22 C ATOM 1562 CZ PHE A 98 11.749 -32.118 -35.548 1.00 3.53 C ATOM 0 H PHE A 98 10.391 -26.591 -34.595 1.00 24.35 H new ATOM 0 HA PHE A 98 13.135 -27.573 -35.028 1.00 24.23 H new ATOM 0 HB2 PHE A 98 10.542 -27.639 -36.570 1.00 64.21 H new ATOM 0 HB3 PHE A 98 12.059 -27.770 -37.438 1.00 64.21 H new ATOM 0 HD1 PHE A 98 13.695 -29.623 -36.706 1.00 71.22 H new ATOM 0 HD2 PHE A 98 9.606 -29.520 -35.515 1.00 14.11 H new ATOM 0 HE1 PHE A 98 13.789 -32.020 -36.178 1.00 52.54 H new ATOM 0 HE2 PHE A 98 9.698 -31.917 -34.985 1.00 34.22 H new ATOM 0 HZ PHE A 98 11.790 -33.172 -35.315 1.00 3.53 H new ATOM 1572 N THR A 99 14.032 -25.524 -36.057 1.00 45.31 N ATOM 1573 CA THR A 99 14.602 -24.313 -36.635 1.00 3.13 C ATOM 1574 C THR A 99 14.617 -24.385 -38.157 1.00 44.13 C ATOM 1575 O THR A 99 14.341 -25.432 -38.743 1.00 34.11 O ATOM 1576 CB THR A 99 16.037 -24.072 -36.129 1.00 44.54 C ATOM 1577 OG1 THR A 99 16.929 -25.030 -36.708 1.00 52.23 O ATOM 1578 CG2 THR A 99 16.100 -24.165 -34.612 1.00 55.24 C ATOM 0 H THR A 99 14.719 -26.165 -35.659 1.00 45.31 H new ATOM 0 HA THR A 99 13.969 -23.483 -36.320 1.00 3.13 H new ATOM 0 HB THR A 99 16.339 -23.068 -36.428 1.00 44.54 H new ATOM 0 HG1 THR A 99 17.839 -24.868 -36.382 1.00 52.23 H new ATOM 0 HG21 THR A 99 17.123 -23.991 -34.279 1.00 55.24 H new ATOM 0 HG22 THR A 99 15.443 -23.413 -34.174 1.00 55.24 H new ATOM 0 HG23 THR A 99 15.779 -25.157 -34.295 1.00 55.24 H new ATOM 1586 N LYS A 100 14.941 -23.265 -38.794 1.00 42.41 N ATOM 1587 CA LYS A 100 14.995 -23.200 -40.250 1.00 32.23 C ATOM 1588 C LYS A 100 15.717 -21.938 -40.713 1.00 34.05 C ATOM 1589 O LYS A 100 15.109 -21.002 -41.231 1.00 60.52 O ATOM 1590 CB LYS A 100 13.581 -23.235 -40.835 1.00 10.42 C ATOM 1591 CG LYS A 100 13.551 -23.285 -42.352 1.00 43.44 C ATOM 1592 CD LYS A 100 12.286 -23.953 -42.864 1.00 11.34 C ATOM 1593 CE LYS A 100 11.102 -22.998 -42.837 1.00 71.45 C ATOM 1594 NZ LYS A 100 10.436 -22.978 -41.506 1.00 12.32 N ATOM 0 H LYS A 100 15.170 -22.389 -38.324 1.00 42.41 H new ATOM 0 HA LYS A 100 15.551 -24.067 -40.607 1.00 32.23 H new ATOM 0 HB2 LYS A 100 13.055 -24.105 -40.441 1.00 10.42 H new ATOM 0 HB3 LYS A 100 13.036 -22.353 -40.498 1.00 10.42 H new ATOM 0 HG2 LYS A 100 13.616 -22.273 -42.751 1.00 43.44 H new ATOM 0 HG3 LYS A 100 14.423 -23.828 -42.716 1.00 43.44 H new ATOM 0 HD2 LYS A 100 12.447 -24.307 -43.882 1.00 11.34 H new ATOM 0 HD3 LYS A 100 12.063 -24.828 -42.254 1.00 11.34 H new ATOM 0 HE2 LYS A 100 11.440 -21.993 -43.089 1.00 71.45 H new ATOM 0 HE3 LYS A 100 10.381 -23.292 -43.600 1.00 71.45 H new ATOM 0 HZ1 LYS A 100 9.425 -22.767 -41.627 1.00 12.32 H new ATOM 0 HZ2 LYS A 100 10.544 -23.906 -41.050 1.00 12.32 H new ATOM 0 HZ3 LYS A 100 10.873 -22.246 -40.910 1.00 12.32 H new ATOM 1608 N PRO A 101 17.044 -21.911 -40.522 1.00 15.01 N ATOM 1609 CA PRO A 101 17.876 -20.770 -40.914 1.00 23.15 C ATOM 1610 C PRO A 101 17.993 -20.632 -42.428 1.00 52.42 C ATOM 1611 O PRO A 101 18.278 -21.602 -43.130 1.00 13.23 O ATOM 1612 CB PRO A 101 19.241 -21.099 -40.301 1.00 75.41 C ATOM 1613 CG PRO A 101 19.254 -22.584 -40.183 1.00 64.45 C ATOM 1614 CD PRO A 101 17.834 -22.992 -39.908 1.00 73.30 C ATOM 0 HA PRO A 101 17.457 -19.823 -40.573 1.00 23.15 H new ATOM 0 HB2 PRO A 101 20.055 -20.745 -40.934 1.00 75.41 H new ATOM 0 HB3 PRO A 101 19.363 -20.623 -39.328 1.00 75.41 H new ATOM 0 HG2 PRO A 101 19.621 -23.045 -41.100 1.00 64.45 H new ATOM 0 HG3 PRO A 101 19.915 -22.905 -39.378 1.00 64.45 H new ATOM 0 HD2 PRO A 101 17.601 -23.961 -40.350 1.00 73.30 H new ATOM 0 HD3 PRO A 101 17.639 -23.075 -38.839 1.00 73.30 H new ATOM 1622 N ARG A 102 17.771 -19.419 -42.924 1.00 63.55 N ATOM 1623 CA ARG A 102 17.851 -19.154 -44.356 1.00 54.13 C ATOM 1624 C ARG A 102 18.845 -18.034 -44.648 1.00 10.22 C ATOM 1625 O ARG A 102 19.449 -17.473 -43.733 1.00 1.00 O ATOM 1626 CB ARG A 102 16.472 -18.781 -44.905 1.00 33.11 C ATOM 1627 CG ARG A 102 15.747 -17.736 -44.071 1.00 65.23 C ATOM 1628 CD ARG A 102 14.904 -18.380 -42.982 1.00 25.04 C ATOM 1629 NE ARG A 102 13.732 -17.574 -42.650 1.00 33.44 N ATOM 1630 CZ ARG A 102 13.788 -16.450 -41.946 1.00 3.15 C ATOM 1631 NH1 ARG A 102 14.953 -15.999 -41.503 1.00 5.33 N ATOM 1632 NH2 ARG A 102 12.677 -15.773 -41.684 1.00 44.33 N ATOM 0 H ARG A 102 17.535 -18.605 -42.356 1.00 63.55 H new ATOM 0 HA ARG A 102 18.198 -20.062 -44.849 1.00 54.13 H new ATOM 0 HB2 ARG A 102 16.584 -18.407 -45.923 1.00 33.11 H new ATOM 0 HB3 ARG A 102 15.857 -19.679 -44.961 1.00 33.11 H new ATOM 0 HG2 ARG A 102 16.474 -17.061 -43.619 1.00 65.23 H new ATOM 0 HG3 ARG A 102 15.110 -17.132 -44.717 1.00 65.23 H new ATOM 0 HD2 ARG A 102 14.583 -19.369 -43.309 1.00 25.04 H new ATOM 0 HD3 ARG A 102 15.512 -18.521 -42.088 1.00 25.04 H new ATOM 0 HE ARG A 102 12.820 -17.892 -42.977 1.00 33.44 H new ATOM 0 HH11 ARG A 102 15.809 -16.516 -41.703 1.00 5.33 H new ATOM 0 HH12 ARG A 102 14.993 -15.135 -40.962 1.00 5.33 H new ATOM 0 HH21 ARG A 102 11.779 -16.116 -42.024 1.00 44.33 H new ATOM 0 HH22 ARG A 102 12.722 -14.909 -41.143 1.00 44.33 H new ATOM 1646 N ASP A 103 19.012 -17.716 -45.926 1.00 52.34 N ATOM 1647 CA ASP A 103 19.933 -16.663 -46.339 1.00 13.54 C ATOM 1648 C ASP A 103 19.241 -15.303 -46.336 1.00 13.23 C ATOM 1649 O ASP A 103 18.025 -15.215 -46.502 1.00 43.42 O ATOM 1650 CB ASP A 103 20.491 -16.961 -47.731 1.00 24.25 C ATOM 1651 CG ASP A 103 19.430 -16.880 -48.810 1.00 65.13 C ATOM 1652 OD1 ASP A 103 18.427 -17.619 -48.715 1.00 25.03 O ATOM 1653 OD2 ASP A 103 19.601 -16.076 -49.750 1.00 71.41 O ATOM 0 H ASP A 103 18.522 -18.172 -46.695 1.00 52.34 H new ATOM 0 HA ASP A 103 20.756 -16.634 -45.625 1.00 13.54 H new ATOM 0 HB2 ASP A 103 21.290 -16.255 -47.958 1.00 24.25 H new ATOM 0 HB3 ASP A 103 20.935 -17.957 -47.736 1.00 24.25 H new ATOM 1658 N MET A 104 20.024 -14.247 -46.144 1.00 10.52 N ATOM 1659 CA MET A 104 19.487 -12.892 -46.118 1.00 54.54 C ATOM 1660 C MET A 104 20.527 -11.884 -46.599 1.00 32.33 C ATOM 1661 O MET A 104 21.704 -12.216 -46.748 1.00 61.23 O ATOM 1662 CB MET A 104 19.023 -12.530 -44.706 1.00 44.12 C ATOM 1663 CG MET A 104 17.955 -11.449 -44.675 1.00 60.22 C ATOM 1664 SD MET A 104 18.645 -9.787 -44.775 1.00 51.50 S ATOM 1665 CE MET A 104 18.746 -9.357 -43.039 1.00 15.11 C ATOM 0 H MET A 104 21.033 -14.304 -46.004 1.00 10.52 H new ATOM 0 HA MET A 104 18.632 -12.855 -46.793 1.00 54.54 H new ATOM 0 HB2 MET A 104 18.636 -13.425 -44.219 1.00 44.12 H new ATOM 0 HB3 MET A 104 19.882 -12.197 -44.124 1.00 44.12 H new ATOM 0 HG2 MET A 104 17.265 -11.602 -45.505 1.00 60.22 H new ATOM 0 HG3 MET A 104 17.375 -11.543 -43.757 1.00 60.22 H new ATOM 0 HE1 MET A 104 19.156 -8.352 -42.936 1.00 15.11 H new ATOM 0 HE2 MET A 104 17.750 -9.389 -42.598 1.00 15.11 H new ATOM 0 HE3 MET A 104 19.394 -10.067 -42.525 1.00 15.11 H new TER 1675 MET A 104