USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 871 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 101 HIS : no HD1:sc= -0.726 X(o=-1.1,f=-1.3) USER MOD Set 1.2: A 103 HIS : no HD1:sc= -0.335 X(o=-1.1,f=-1.3) USER MOD Set 2.1: A 25 LYS NZ :NH3+ -159:sc= 1.19 (180deg=-0.0507) USER MOD Set 2.2: A 28 ASN : amide:sc= -0.0857 K(o=1.1,f=-11!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -136:sc= 0.0666! (180deg=-1.08!) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 MET CE :methyl 169:sc=-0.00332 (180deg=-0.166) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 66:sc= -0.104 USER MOD Single : A 12 TYR OH : rot 180:sc= 0.421 USER MOD Single : A 14 GLN : amide:sc= -0.435 X(o=-0.43,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0373 USER MOD Single : A 20 LYS NZ :NH3+ -137:sc= 0.784 (180deg=0.0381) USER MOD Single : A 23 HIS : no HE2:sc= -1.57 K(o=-1.6,f=-3.8!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0.808 USER MOD Single : A 33 LYS NZ :NH3+ -157:sc= 1.27 (180deg=0.712) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 19:sc= 0.0885 USER MOD Single : A 38 LYS NZ :NH3+ 143:sc= 1.31 (180deg=0.169) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0565) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -165:sc= 0.481 (180deg=0.369) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.744 X(o=-0.74,f=-0.43) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.498 X(o=-0.5,f=-0.77!) USER MOD Single : A 61 LYS NZ :NH3+ 130:sc= 1.45 (180deg=-0.385) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.157 USER MOD Single : A 69 HIS : no HD1:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 179:sc= 0.932 (180deg=0.932) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 164:sc= 0.753 (180deg=0.113) USER MOD Single : A 93 LYS NZ :NH3+ -137:sc= -0.299 (180deg=-0.85) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.0145 K(o=-0.014,f=-3.7!) USER MOD Single : A 104 HIS : no HD1:sc= -0.63 X(o=-0.63,f=-0.64) USER MOD Single : A 105 HIS : no HE2:sc= -0.919 K(o=-0.92,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.991 -0.884 -26.423 1.00 72.03 N ATOM 2 CA MET A 1 8.393 -1.968 -25.481 1.00 70.32 C ATOM 3 C MET A 1 9.672 -1.588 -24.716 1.00 32.25 C ATOM 4 O MET A 1 10.768 -1.556 -25.283 1.00 33.32 O ATOM 5 CB MET A 1 8.576 -3.305 -26.229 1.00 54.33 C ATOM 6 CG MET A 1 9.543 -3.243 -27.405 1.00 41.01 C ATOM 7 SD MET A 1 9.009 -2.078 -28.674 1.00 25.43 S ATOM 8 CE MET A 1 10.343 -2.226 -29.861 1.00 62.31 C ATOM 0 H1 MET A 1 6.965 -0.730 -26.357 1.00 72.03 H new ATOM 0 H2 MET A 1 8.490 -0.006 -26.175 1.00 72.03 H new ATOM 0 H3 MET A 1 8.238 -1.159 -27.395 1.00 72.03 H new ATOM 0 HA MET A 1 7.592 -2.094 -24.753 1.00 70.32 H new ATOM 0 HB2 MET A 1 8.930 -4.056 -25.523 1.00 54.33 H new ATOM 0 HB3 MET A 1 7.604 -3.640 -26.591 1.00 54.33 H new ATOM 0 HG2 MET A 1 10.531 -2.956 -27.045 1.00 41.01 H new ATOM 0 HG3 MET A 1 9.640 -4.236 -27.845 1.00 41.01 H new ATOM 0 HE1 MET A 1 10.154 -1.563 -30.705 1.00 62.31 H new ATOM 0 HE2 MET A 1 11.285 -1.950 -29.386 1.00 62.31 H new ATOM 0 HE3 MET A 1 10.403 -3.255 -30.214 1.00 62.31 H new ATOM 20 N ASP A 2 9.525 -1.303 -23.422 1.00 3.31 N ATOM 21 CA ASP A 2 10.631 -0.801 -22.602 1.00 51.13 C ATOM 22 C ASP A 2 11.379 -1.936 -21.883 1.00 41.42 C ATOM 23 O ASP A 2 10.820 -2.628 -21.033 1.00 74.13 O ATOM 24 CB ASP A 2 10.095 0.206 -21.582 1.00 44.32 C ATOM 25 CG ASP A 2 9.365 1.359 -22.249 1.00 10.42 C ATOM 26 OD1 ASP A 2 10.034 2.298 -22.726 1.00 22.22 O ATOM 27 OD2 ASP A 2 8.120 1.329 -22.311 1.00 65.11 O ATOM 0 H ASP A 2 8.646 -1.412 -22.916 1.00 3.31 H new ATOM 0 HA ASP A 2 11.345 -0.313 -23.265 1.00 51.13 H new ATOM 0 HB2 ASP A 2 9.419 -0.301 -20.893 1.00 44.32 H new ATOM 0 HB3 ASP A 2 10.922 0.596 -20.988 1.00 44.32 H new ATOM 32 N LEU A 3 12.656 -2.111 -22.223 1.00 42.33 N ATOM 33 CA LEU A 3 13.486 -3.159 -21.610 1.00 13.42 C ATOM 34 C LEU A 3 14.353 -2.605 -20.468 1.00 5.15 C ATOM 35 O LEU A 3 15.126 -3.340 -19.852 1.00 52.05 O ATOM 36 CB LEU A 3 14.379 -3.850 -22.663 1.00 24.12 C ATOM 37 CG LEU A 3 15.600 -3.050 -23.173 1.00 44.35 C ATOM 38 CD1 LEU A 3 16.537 -3.955 -23.967 1.00 3.44 C ATOM 39 CD2 LEU A 3 15.174 -1.849 -24.022 1.00 10.33 C ATOM 0 H LEU A 3 13.142 -1.544 -22.918 1.00 42.33 H new ATOM 0 HA LEU A 3 12.803 -3.898 -21.190 1.00 13.42 H new ATOM 0 HB2 LEU A 3 14.740 -4.788 -22.240 1.00 24.12 H new ATOM 0 HB3 LEU A 3 13.757 -4.105 -23.521 1.00 24.12 H new ATOM 0 HG LEU A 3 16.131 -2.668 -22.301 1.00 44.35 H new ATOM 0 HD11 LEU A 3 17.391 -3.376 -24.318 1.00 3.44 H new ATOM 0 HD12 LEU A 3 16.887 -4.766 -23.329 1.00 3.44 H new ATOM 0 HD13 LEU A 3 16.004 -4.370 -24.822 1.00 3.44 H new ATOM 0 HD21 LEU A 3 16.059 -1.312 -24.362 1.00 10.33 H new ATOM 0 HD22 LEU A 3 14.606 -2.197 -24.885 1.00 10.33 H new ATOM 0 HD23 LEU A 3 14.553 -1.183 -23.424 1.00 10.33 H new ATOM 51 N ASN A 4 14.227 -1.310 -20.186 1.00 14.12 N ATOM 52 CA ASN A 4 14.983 -0.675 -19.099 1.00 43.13 C ATOM 53 C ASN A 4 14.134 -0.545 -17.822 1.00 40.25 C ATOM 54 O ASN A 4 14.437 -1.164 -16.800 1.00 72.24 O ATOM 55 CB ASN A 4 15.498 0.696 -19.548 1.00 64.22 C ATOM 56 CG ASN A 4 16.585 0.576 -20.600 1.00 25.04 C ATOM 57 OD1 ASN A 4 17.768 0.535 -20.284 1.00 10.33 O ATOM 58 ND2 ASN A 4 16.201 0.515 -21.858 1.00 12.42 N ATOM 0 H ASN A 4 13.609 -0.676 -20.693 1.00 14.12 H new ATOM 0 HA ASN A 4 15.834 -1.313 -18.862 1.00 43.13 H new ATOM 0 HB2 ASN A 4 14.670 1.282 -19.947 1.00 64.22 H new ATOM 0 HB3 ASN A 4 15.886 1.238 -18.686 1.00 64.22 H new ATOM 0 HD21 ASN A 4 16.896 0.431 -22.600 1.00 12.42 H new ATOM 0 HD22 ASN A 4 15.209 0.551 -22.091 1.00 12.42 H new ATOM 65 N ARG A 5 13.074 0.259 -17.886 1.00 2.54 N ATOM 66 CA ARG A 5 12.149 0.426 -16.758 1.00 15.35 C ATOM 67 C ARG A 5 10.965 -0.543 -16.891 1.00 23.32 C ATOM 68 O ARG A 5 9.899 -0.185 -17.393 1.00 34.24 O ATOM 69 CB ARG A 5 11.644 1.877 -16.687 1.00 54.02 C ATOM 70 CG ARG A 5 12.762 2.915 -16.606 1.00 15.12 C ATOM 71 CD ARG A 5 12.218 4.343 -16.633 1.00 2.43 C ATOM 72 NE ARG A 5 11.465 4.624 -17.855 1.00 52.24 N ATOM 73 CZ ARG A 5 11.171 5.825 -18.284 1.00 33.10 C ATOM 74 NH1 ARG A 5 11.585 6.878 -17.650 1.00 60.04 N ATOM 75 NH2 ARG A 5 10.471 5.968 -19.361 1.00 4.12 N ATOM 0 H ARG A 5 12.831 0.809 -18.710 1.00 2.54 H new ATOM 0 HA ARG A 5 12.684 0.199 -15.836 1.00 15.35 H new ATOM 0 HB2 ARG A 5 11.033 2.083 -17.566 1.00 54.02 H new ATOM 0 HB3 ARG A 5 10.997 1.985 -15.816 1.00 54.02 H new ATOM 0 HG2 ARG A 5 13.334 2.762 -15.691 1.00 15.12 H new ATOM 0 HG3 ARG A 5 13.450 2.773 -17.439 1.00 15.12 H new ATOM 0 HD2 ARG A 5 11.575 4.501 -15.767 1.00 2.43 H new ATOM 0 HD3 ARG A 5 13.046 5.047 -16.548 1.00 2.43 H new ATOM 0 HE ARG A 5 11.147 3.830 -18.411 1.00 52.24 H new ATOM 0 HH11 ARG A 5 12.148 6.776 -16.805 1.00 60.04 H new ATOM 0 HH12 ARG A 5 11.348 7.808 -17.996 1.00 60.04 H new ATOM 0 HH21 ARG A 5 10.150 5.147 -19.873 1.00 4.12 H new ATOM 0 HH22 ARG A 5 10.240 6.902 -19.699 1.00 4.12 H new ATOM 89 N MET A 6 11.182 -1.781 -16.465 1.00 40.03 N ATOM 90 CA MET A 6 10.179 -2.849 -16.594 1.00 23.21 C ATOM 91 C MET A 6 9.754 -3.420 -15.230 1.00 63.13 C ATOM 92 O MET A 6 10.406 -3.187 -14.215 1.00 41.44 O ATOM 93 CB MET A 6 10.734 -3.976 -17.486 1.00 13.02 C ATOM 94 CG MET A 6 12.167 -4.387 -17.150 1.00 61.34 C ATOM 95 SD MET A 6 12.373 -4.964 -15.451 1.00 53.23 S ATOM 96 CE MET A 6 11.415 -6.477 -15.466 1.00 72.14 C ATOM 0 H MET A 6 12.051 -2.079 -16.022 1.00 40.03 H new ATOM 0 HA MET A 6 9.291 -2.413 -17.052 1.00 23.21 H new ATOM 0 HB2 MET A 6 10.086 -4.848 -17.397 1.00 13.02 H new ATOM 0 HB3 MET A 6 10.694 -3.655 -18.527 1.00 13.02 H new ATOM 0 HG2 MET A 6 12.480 -5.176 -17.834 1.00 61.34 H new ATOM 0 HG3 MET A 6 12.829 -3.538 -17.319 1.00 61.34 H new ATOM 0 HE1 MET A 6 11.608 -7.039 -14.552 1.00 72.14 H new ATOM 0 HE2 MET A 6 10.354 -6.235 -15.526 1.00 72.14 H new ATOM 0 HE3 MET A 6 11.699 -7.079 -16.329 1.00 72.14 H new ATOM 106 N GLY A 7 8.641 -4.161 -15.230 1.00 51.32 N ATOM 107 CA GLY A 7 8.190 -4.875 -14.035 1.00 52.42 C ATOM 108 C GLY A 7 7.919 -3.976 -12.826 1.00 5.14 C ATOM 109 O GLY A 7 7.422 -2.858 -12.973 1.00 24.12 O ATOM 0 H GLY A 7 8.038 -4.281 -16.044 1.00 51.32 H new ATOM 0 HA2 GLY A 7 7.279 -5.423 -14.276 1.00 52.42 H new ATOM 0 HA3 GLY A 7 8.944 -5.613 -13.762 1.00 52.42 H new ATOM 113 N LYS A 8 8.249 -4.485 -11.632 1.00 30.33 N ATOM 114 CA LYS A 8 8.017 -3.780 -10.360 1.00 74.04 C ATOM 115 C LYS A 8 6.516 -3.611 -10.062 1.00 64.12 C ATOM 116 O LYS A 8 5.666 -4.123 -10.793 1.00 42.21 O ATOM 117 CB LYS A 8 8.770 -2.437 -10.313 1.00 73.04 C ATOM 118 CG LYS A 8 10.280 -2.591 -10.076 1.00 23.43 C ATOM 119 CD LYS A 8 10.980 -3.309 -11.232 1.00 32.54 C ATOM 120 CE LYS A 8 12.375 -3.799 -10.856 1.00 51.22 C ATOM 121 NZ LYS A 8 13.299 -2.690 -10.505 1.00 31.21 N ATOM 0 H LYS A 8 8.686 -5.400 -11.518 1.00 30.33 H new ATOM 0 HA LYS A 8 8.425 -4.405 -9.565 1.00 74.04 H new ATOM 0 HB2 LYS A 8 8.610 -1.906 -11.251 1.00 73.04 H new ATOM 0 HB3 LYS A 8 8.347 -1.819 -9.521 1.00 73.04 H new ATOM 0 HG2 LYS A 8 10.726 -1.606 -9.940 1.00 23.43 H new ATOM 0 HG3 LYS A 8 10.446 -3.146 -9.153 1.00 23.43 H new ATOM 0 HD2 LYS A 8 10.374 -4.157 -11.549 1.00 32.54 H new ATOM 0 HD3 LYS A 8 11.053 -2.633 -12.084 1.00 32.54 H new ATOM 0 HE2 LYS A 8 12.299 -4.484 -10.011 1.00 51.22 H new ATOM 0 HE3 LYS A 8 12.793 -4.365 -11.689 1.00 51.22 H new ATOM 0 HZ1 LYS A 8 14.231 -3.080 -10.258 1.00 31.21 H new ATOM 0 HZ2 LYS A 8 13.396 -2.049 -11.318 1.00 31.21 H new ATOM 0 HZ3 LYS A 8 12.918 -2.164 -9.693 1.00 31.21 H new ATOM 135 N ASP A 9 6.188 -2.921 -8.968 1.00 13.13 N ATOM 136 CA ASP A 9 4.808 -2.889 -8.467 1.00 24.23 C ATOM 137 C ASP A 9 4.224 -1.468 -8.375 1.00 75.41 C ATOM 138 O ASP A 9 4.759 -0.604 -7.674 1.00 20.51 O ATOM 139 CB ASP A 9 4.750 -3.550 -7.085 1.00 60.41 C ATOM 140 CG ASP A 9 5.172 -5.007 -7.120 1.00 51.30 C ATOM 141 OD1 ASP A 9 4.329 -5.865 -7.448 1.00 34.11 O ATOM 142 OD2 ASP A 9 6.350 -5.305 -6.825 1.00 62.42 O ATOM 0 H ASP A 9 6.852 -2.380 -8.414 1.00 13.13 H new ATOM 0 HA ASP A 9 4.200 -3.436 -9.188 1.00 24.23 H new ATOM 0 HB2 ASP A 9 5.396 -3.004 -6.397 1.00 60.41 H new ATOM 0 HB3 ASP A 9 3.735 -3.478 -6.694 1.00 60.41 H new ATOM 147 N GLU A 10 3.115 -1.243 -9.084 1.00 60.21 N ATOM 148 CA GLU A 10 2.323 -0.016 -8.928 1.00 35.24 C ATOM 149 C GLU A 10 1.140 -0.270 -7.979 1.00 25.11 C ATOM 150 O GLU A 10 0.241 -1.054 -8.293 1.00 51.32 O ATOM 151 CB GLU A 10 1.778 0.487 -10.281 1.00 25.04 C ATOM 152 CG GLU A 10 2.836 0.741 -11.355 1.00 41.31 C ATOM 153 CD GLU A 10 3.400 -0.538 -11.953 1.00 52.22 C ATOM 154 OE1 GLU A 10 2.607 -1.355 -12.472 1.00 21.01 O ATOM 155 OE2 GLU A 10 4.630 -0.728 -11.928 1.00 12.25 O ATOM 0 H GLU A 10 2.743 -1.895 -9.774 1.00 60.21 H new ATOM 0 HA GLU A 10 2.983 0.747 -8.514 1.00 35.24 H new ATOM 0 HB2 GLU A 10 1.065 -0.244 -10.662 1.00 25.04 H new ATOM 0 HB3 GLU A 10 1.226 1.412 -10.111 1.00 25.04 H new ATOM 0 HG2 GLU A 10 2.399 1.345 -12.151 1.00 41.31 H new ATOM 0 HG3 GLU A 10 3.650 1.323 -10.923 1.00 41.31 H new ATOM 162 N TYR A 11 1.139 0.386 -6.823 1.00 73.11 N ATOM 163 CA TYR A 11 0.056 0.217 -5.846 1.00 50.14 C ATOM 164 C TYR A 11 -1.036 1.276 -6.033 1.00 72.31 C ATOM 165 O TYR A 11 -0.775 2.475 -5.962 1.00 23.53 O ATOM 166 CB TYR A 11 0.607 0.277 -4.417 1.00 23.21 C ATOM 167 CG TYR A 11 1.420 -0.943 -4.029 1.00 62.22 C ATOM 168 CD1 TYR A 11 0.805 -2.063 -3.480 1.00 71.25 C ATOM 169 CD2 TYR A 11 2.799 -0.977 -4.206 1.00 11.32 C ATOM 170 CE1 TYR A 11 1.540 -3.176 -3.118 1.00 15.12 C ATOM 171 CE2 TYR A 11 3.536 -2.089 -3.846 1.00 71.34 C ATOM 172 CZ TYR A 11 2.903 -3.184 -3.305 1.00 60.44 C ATOM 173 OH TYR A 11 3.640 -4.287 -2.945 1.00 64.14 O ATOM 0 H TYR A 11 1.869 1.037 -6.536 1.00 73.11 H new ATOM 0 HA TYR A 11 -0.390 -0.763 -6.014 1.00 50.14 H new ATOM 0 HB2 TYR A 11 1.229 1.166 -4.313 1.00 23.21 H new ATOM 0 HB3 TYR A 11 -0.224 0.386 -3.720 1.00 23.21 H new ATOM 0 HD1 TYR A 11 -0.265 -2.063 -3.334 1.00 71.25 H new ATOM 0 HD2 TYR A 11 3.302 -0.121 -4.631 1.00 11.32 H new ATOM 0 HE1 TYR A 11 1.046 -4.036 -2.690 1.00 15.12 H new ATOM 0 HE2 TYR A 11 4.606 -2.098 -3.989 1.00 71.34 H new ATOM 0 HH TYR A 11 3.394 -5.045 -3.515 1.00 64.14 H new ATOM 183 N TYR A 12 -2.261 0.814 -6.280 1.00 13.53 N ATOM 184 CA TYR A 12 -3.411 1.703 -6.462 1.00 23.11 C ATOM 185 C TYR A 12 -4.034 2.075 -5.110 1.00 54.41 C ATOM 186 O TYR A 12 -4.785 1.296 -4.518 1.00 75.24 O ATOM 187 CB TYR A 12 -4.454 1.036 -7.376 1.00 74.11 C ATOM 188 CG TYR A 12 -3.966 0.829 -8.799 1.00 22.33 C ATOM 189 CD1 TYR A 12 -2.867 0.016 -9.071 1.00 15.23 C ATOM 190 CD2 TYR A 12 -4.600 1.447 -9.869 1.00 24.03 C ATOM 191 CE1 TYR A 12 -2.419 -0.170 -10.363 1.00 74.54 C ATOM 192 CE2 TYR A 12 -4.158 1.264 -11.164 1.00 23.41 C ATOM 193 CZ TYR A 12 -3.067 0.456 -11.405 1.00 41.42 C ATOM 194 OH TYR A 12 -2.621 0.281 -12.693 1.00 44.41 O ATOM 0 H TYR A 12 -2.485 -0.178 -6.359 1.00 13.53 H new ATOM 0 HA TYR A 12 -3.067 2.622 -6.936 1.00 23.11 H new ATOM 0 HB2 TYR A 12 -4.734 0.072 -6.952 1.00 74.11 H new ATOM 0 HB3 TYR A 12 -5.355 1.649 -7.395 1.00 74.11 H new ATOM 0 HD1 TYR A 12 -2.357 -0.477 -8.256 1.00 15.23 H new ATOM 0 HD2 TYR A 12 -5.454 2.082 -9.685 1.00 24.03 H new ATOM 0 HE1 TYR A 12 -1.565 -0.803 -10.556 1.00 74.54 H new ATOM 0 HE2 TYR A 12 -4.664 1.751 -11.984 1.00 23.41 H new ATOM 0 HH TYR A 12 -3.189 0.790 -13.308 1.00 44.41 H new ATOM 204 N VAL A 13 -3.699 3.264 -4.624 1.00 74.51 N ATOM 205 CA VAL A 13 -4.180 3.750 -3.326 1.00 73.04 C ATOM 206 C VAL A 13 -4.808 5.143 -3.456 1.00 54.22 C ATOM 207 O VAL A 13 -4.446 5.910 -4.345 1.00 63.01 O ATOM 208 CB VAL A 13 -3.019 3.812 -2.300 1.00 55.14 C ATOM 209 CG1 VAL A 13 -2.488 2.414 -1.994 1.00 12.44 C ATOM 210 CG2 VAL A 13 -1.900 4.709 -2.823 1.00 12.11 C ATOM 0 H VAL A 13 -3.089 3.920 -5.112 1.00 74.51 H new ATOM 0 HA VAL A 13 -4.938 3.049 -2.976 1.00 73.04 H new ATOM 0 HB VAL A 13 -3.402 4.237 -1.372 1.00 55.14 H new ATOM 0 HG11 VAL A 13 -1.674 2.484 -1.272 1.00 12.44 H new ATOM 0 HG12 VAL A 13 -3.290 1.803 -1.579 1.00 12.44 H new ATOM 0 HG13 VAL A 13 -2.120 1.956 -2.912 1.00 12.44 H new ATOM 0 HG21 VAL A 13 -1.091 4.744 -2.093 1.00 12.11 H new ATOM 0 HG22 VAL A 13 -1.523 4.309 -3.764 1.00 12.11 H new ATOM 0 HG23 VAL A 13 -2.286 5.715 -2.985 1.00 12.11 H new ATOM 220 N GLN A 14 -5.752 5.467 -2.577 1.00 73.23 N ATOM 221 CA GLN A 14 -6.379 6.793 -2.584 1.00 13.14 C ATOM 222 C GLN A 14 -5.690 7.731 -1.578 1.00 72.03 C ATOM 223 O GLN A 14 -5.325 7.318 -0.476 1.00 54.43 O ATOM 224 CB GLN A 14 -7.884 6.691 -2.276 1.00 41.32 C ATOM 225 CG GLN A 14 -8.216 6.237 -0.855 1.00 34.12 C ATOM 226 CD GLN A 14 -9.713 6.173 -0.577 1.00 0.11 C ATOM 227 OE1 GLN A 14 -10.169 5.381 0.239 1.00 61.43 O ATOM 228 NE2 GLN A 14 -10.491 7.000 -1.249 1.00 43.40 N ATOM 0 H GLN A 14 -6.100 4.837 -1.854 1.00 73.23 H new ATOM 0 HA GLN A 14 -6.260 7.212 -3.583 1.00 13.14 H new ATOM 0 HB2 GLN A 14 -8.343 7.665 -2.448 1.00 41.32 H new ATOM 0 HB3 GLN A 14 -8.339 5.995 -2.981 1.00 41.32 H new ATOM 0 HG2 GLN A 14 -7.779 5.253 -0.684 1.00 34.12 H new ATOM 0 HG3 GLN A 14 -7.750 6.920 -0.145 1.00 34.12 H new ATOM 0 HE21 GLN A 14 -10.084 7.649 -1.922 1.00 43.40 H new ATOM 0 HE22 GLN A 14 -11.499 6.990 -1.095 1.00 43.40 H new ATOM 237 N ILE A 15 -5.509 8.991 -1.966 1.00 20.11 N ATOM 238 CA ILE A 15 -4.852 9.975 -1.099 1.00 44.14 C ATOM 239 C ILE A 15 -5.793 10.455 0.016 1.00 5.41 C ATOM 240 O ILE A 15 -6.821 11.087 -0.248 1.00 50.12 O ATOM 241 CB ILE A 15 -4.350 11.203 -1.902 1.00 13.20 C ATOM 242 CG1 ILE A 15 -3.412 10.766 -3.042 1.00 32.42 C ATOM 243 CG2 ILE A 15 -3.644 12.195 -0.970 1.00 14.24 C ATOM 244 CD1 ILE A 15 -2.146 10.083 -2.567 1.00 74.12 C ATOM 0 H ILE A 15 -5.805 9.357 -2.871 1.00 20.11 H new ATOM 0 HA ILE A 15 -3.995 9.471 -0.653 1.00 44.14 H new ATOM 0 HB ILE A 15 -5.213 11.699 -2.347 1.00 13.20 H new ATOM 0 HG12 ILE A 15 -3.952 10.089 -3.704 1.00 32.42 H new ATOM 0 HG13 ILE A 15 -3.141 11.641 -3.632 1.00 32.42 H new ATOM 0 HG21 ILE A 15 -3.297 13.052 -1.547 1.00 14.24 H new ATOM 0 HG22 ILE A 15 -4.341 12.532 -0.203 1.00 14.24 H new ATOM 0 HG23 ILE A 15 -2.792 11.707 -0.497 1.00 14.24 H new ATOM 0 HD11 ILE A 15 -1.538 9.805 -3.428 1.00 74.12 H new ATOM 0 HD12 ILE A 15 -1.583 10.764 -1.929 1.00 74.12 H new ATOM 0 HD13 ILE A 15 -2.406 9.188 -2.002 1.00 74.12 H new ATOM 256 N THR A 16 -5.440 10.142 1.261 1.00 4.20 N ATOM 257 CA THR A 16 -6.222 10.568 2.427 1.00 0.32 C ATOM 258 C THR A 16 -5.567 11.761 3.142 1.00 14.44 C ATOM 259 O THR A 16 -6.111 12.869 3.156 1.00 63.11 O ATOM 260 CB THR A 16 -6.398 9.414 3.444 1.00 10.42 C ATOM 261 OG1 THR A 16 -5.113 8.955 3.899 1.00 75.24 O ATOM 262 CG2 THR A 16 -7.168 8.251 2.827 1.00 3.55 C ATOM 0 H THR A 16 -4.613 9.592 1.492 1.00 4.20 H new ATOM 0 HA THR A 16 -7.199 10.868 2.049 1.00 0.32 H new ATOM 0 HB THR A 16 -6.969 9.796 4.291 1.00 10.42 H new ATOM 0 HG1 THR A 16 -5.235 8.226 4.543 1.00 75.24 H new ATOM 0 HG21 THR A 16 -7.277 7.455 3.564 1.00 3.55 H new ATOM 0 HG22 THR A 16 -8.155 8.593 2.514 1.00 3.55 H new ATOM 0 HG23 THR A 16 -6.624 7.873 1.962 1.00 3.55 H new ATOM 270 N VAL A 17 -4.396 11.529 3.733 1.00 33.51 N ATOM 271 CA VAL A 17 -3.686 12.563 4.497 1.00 74.43 C ATOM 272 C VAL A 17 -2.636 13.312 3.655 1.00 54.42 C ATOM 273 O VAL A 17 -1.807 12.707 2.971 1.00 14.34 O ATOM 274 CB VAL A 17 -3.013 11.967 5.759 1.00 31.43 C ATOM 275 CG1 VAL A 17 -4.066 11.403 6.710 1.00 72.21 C ATOM 276 CG2 VAL A 17 -1.992 10.895 5.383 1.00 43.10 C ATOM 0 H VAL A 17 -3.914 10.631 3.699 1.00 33.51 H new ATOM 0 HA VAL A 17 -4.444 13.285 4.800 1.00 74.43 H new ATOM 0 HB VAL A 17 -2.481 12.769 6.270 1.00 31.43 H new ATOM 0 HG11 VAL A 17 -3.576 10.988 7.591 1.00 72.21 H new ATOM 0 HG12 VAL A 17 -4.746 12.199 7.014 1.00 72.21 H new ATOM 0 HG13 VAL A 17 -4.629 10.618 6.205 1.00 72.21 H new ATOM 0 HG21 VAL A 17 -1.535 10.494 6.288 1.00 43.10 H new ATOM 0 HG22 VAL A 17 -2.491 10.091 4.842 1.00 43.10 H new ATOM 0 HG23 VAL A 17 -1.220 11.334 4.751 1.00 43.10 H new ATOM 286 N ASP A 18 -2.687 14.638 3.720 1.00 12.20 N ATOM 287 CA ASP A 18 -1.753 15.506 2.998 1.00 2.41 C ATOM 288 C ASP A 18 -1.164 16.582 3.926 1.00 15.34 C ATOM 289 O ASP A 18 -1.398 16.567 5.135 1.00 61.14 O ATOM 290 CB ASP A 18 -2.469 16.157 1.807 1.00 75.33 C ATOM 291 CG ASP A 18 -3.723 16.909 2.224 1.00 45.40 C ATOM 292 OD1 ASP A 18 -3.630 18.116 2.536 1.00 63.53 O ATOM 293 OD2 ASP A 18 -4.809 16.297 2.246 1.00 72.53 O ATOM 0 H ASP A 18 -3.377 15.146 4.274 1.00 12.20 H new ATOM 0 HA ASP A 18 -0.927 14.897 2.631 1.00 2.41 H new ATOM 0 HB2 ASP A 18 -1.786 16.844 1.308 1.00 75.33 H new ATOM 0 HB3 ASP A 18 -2.734 15.388 1.082 1.00 75.33 H new ATOM 298 N GLY A 19 -0.380 17.499 3.359 1.00 43.33 N ATOM 299 CA GLY A 19 0.124 18.642 4.120 1.00 63.14 C ATOM 300 C GLY A 19 1.206 18.313 5.154 1.00 4.22 C ATOM 301 O GLY A 19 1.572 19.171 5.960 1.00 54.44 O ATOM 0 H GLY A 19 -0.082 17.474 2.384 1.00 43.33 H new ATOM 0 HA2 GLY A 19 0.524 19.376 3.420 1.00 63.14 H new ATOM 0 HA3 GLY A 19 -0.714 19.114 4.633 1.00 63.14 H new ATOM 305 N LYS A 20 1.718 17.084 5.139 1.00 70.03 N ATOM 306 CA LYS A 20 2.774 16.679 6.080 1.00 34.12 C ATOM 307 C LYS A 20 4.112 17.378 5.771 1.00 20.05 C ATOM 308 O LYS A 20 4.884 16.912 4.937 1.00 50.14 O ATOM 309 CB LYS A 20 2.989 15.161 6.025 1.00 32.52 C ATOM 310 CG LYS A 20 1.824 14.321 6.536 1.00 42.34 C ATOM 311 CD LYS A 20 1.572 14.536 8.026 1.00 5.11 C ATOM 312 CE LYS A 20 0.942 13.308 8.673 1.00 73.13 C ATOM 313 NZ LYS A 20 1.888 12.155 8.708 1.00 13.34 N ATOM 0 H LYS A 20 1.425 16.352 4.492 1.00 70.03 H new ATOM 0 HA LYS A 20 2.444 16.975 7.076 1.00 34.12 H new ATOM 0 HB2 LYS A 20 3.196 14.877 4.993 1.00 32.52 H new ATOM 0 HB3 LYS A 20 3.877 14.915 6.608 1.00 32.52 H new ATOM 0 HG2 LYS A 20 0.923 14.573 5.976 1.00 42.34 H new ATOM 0 HG3 LYS A 20 2.030 13.267 6.352 1.00 42.34 H new ATOM 0 HD2 LYS A 20 2.513 14.768 8.525 1.00 5.11 H new ATOM 0 HD3 LYS A 20 0.917 15.397 8.164 1.00 5.11 H new ATOM 0 HE2 LYS A 20 0.628 13.552 9.688 1.00 73.13 H new ATOM 0 HE3 LYS A 20 0.045 13.026 8.121 1.00 73.13 H new ATOM 0 HZ1 LYS A 20 1.385 11.285 8.439 1.00 13.34 H new ATOM 0 HZ2 LYS A 20 2.667 12.325 8.040 1.00 13.34 H new ATOM 0 HZ3 LYS A 20 2.272 12.050 9.669 1.00 13.34 H new ATOM 327 N GLU A 21 4.384 18.495 6.441 1.00 10.23 N ATOM 328 CA GLU A 21 5.656 19.206 6.258 1.00 24.45 C ATOM 329 C GLU A 21 6.795 18.547 7.049 1.00 25.41 C ATOM 330 O GLU A 21 6.849 18.647 8.275 1.00 34.23 O ATOM 331 CB GLU A 21 5.533 20.675 6.688 1.00 60.32 C ATOM 332 CG GLU A 21 4.700 21.542 5.754 1.00 41.10 C ATOM 333 CD GLU A 21 4.748 23.013 6.143 1.00 44.04 C ATOM 334 OE1 GLU A 21 5.863 23.573 6.209 1.00 22.15 O ATOM 335 OE2 GLU A 21 3.681 23.614 6.383 1.00 45.23 O ATOM 0 H GLU A 21 3.749 18.928 7.112 1.00 10.23 H new ATOM 0 HA GLU A 21 5.892 19.156 5.195 1.00 24.45 H new ATOM 0 HB2 GLU A 21 5.094 20.712 7.685 1.00 60.32 H new ATOM 0 HB3 GLU A 21 6.533 21.102 6.764 1.00 60.32 H new ATOM 0 HG2 GLU A 21 5.062 21.426 4.733 1.00 41.10 H new ATOM 0 HG3 GLU A 21 3.666 21.198 5.767 1.00 41.10 H new ATOM 342 N VAL A 22 7.706 17.875 6.348 1.00 14.11 N ATOM 343 CA VAL A 22 8.891 17.286 6.988 1.00 60.42 C ATOM 344 C VAL A 22 10.092 18.253 6.946 1.00 41.14 C ATOM 345 O VAL A 22 11.163 17.930 6.432 1.00 73.43 O ATOM 346 CB VAL A 22 9.269 15.924 6.337 1.00 52.23 C ATOM 347 CG1 VAL A 22 8.174 14.889 6.587 1.00 42.21 C ATOM 348 CG2 VAL A 22 9.529 16.076 4.838 1.00 63.40 C ATOM 0 H VAL A 22 7.651 17.723 5.341 1.00 14.11 H new ATOM 0 HA VAL A 22 8.636 17.105 8.032 1.00 60.42 H new ATOM 0 HB VAL A 22 10.192 15.577 6.802 1.00 52.23 H new ATOM 0 HG11 VAL A 22 8.455 13.943 6.125 1.00 42.21 H new ATOM 0 HG12 VAL A 22 8.047 14.745 7.660 1.00 42.21 H new ATOM 0 HG13 VAL A 22 7.237 15.239 6.155 1.00 42.21 H new ATOM 0 HG21 VAL A 22 9.791 15.107 4.414 1.00 63.40 H new ATOM 0 HG22 VAL A 22 8.631 16.455 4.350 1.00 63.40 H new ATOM 0 HG23 VAL A 22 10.351 16.775 4.680 1.00 63.40 H new ATOM 358 N HIS A 23 9.908 19.434 7.535 1.00 72.13 N ATOM 359 CA HIS A 23 10.947 20.474 7.557 1.00 34.22 C ATOM 360 C HIS A 23 11.716 20.454 8.889 1.00 75.22 C ATOM 361 O HIS A 23 12.118 21.496 9.402 1.00 70.22 O ATOM 362 CB HIS A 23 10.320 21.863 7.322 1.00 63.20 C ATOM 363 CG HIS A 23 9.251 22.258 8.309 1.00 52.44 C ATOM 364 ND1 HIS A 23 7.974 22.626 7.932 1.00 24.24 N ATOM 365 CD2 HIS A 23 9.280 22.377 9.662 1.00 61.23 C ATOM 366 CE1 HIS A 23 7.277 22.952 9.000 1.00 53.42 C ATOM 367 NE2 HIS A 23 8.041 22.808 10.061 1.00 71.33 N ATOM 0 H HIS A 23 9.044 19.700 8.008 1.00 72.13 H new ATOM 0 HA HIS A 23 11.653 20.266 6.753 1.00 34.22 H new ATOM 0 HB2 HIS A 23 11.112 22.611 7.349 1.00 63.20 H new ATOM 0 HB3 HIS A 23 9.893 21.887 6.319 1.00 63.20 H new ATOM 0 HD1 HIS A 23 7.625 22.643 6.974 1.00 24.24 H new ATOM 0 HD2 HIS A 23 10.123 22.170 10.305 1.00 61.23 H new ATOM 0 HE1 HIS A 23 6.249 23.283 9.004 1.00 53.42 H new ATOM 376 N SER A 24 11.951 19.254 9.407 1.00 0.35 N ATOM 377 CA SER A 24 12.492 19.056 10.767 1.00 2.04 C ATOM 378 C SER A 24 13.758 19.881 11.066 1.00 64.02 C ATOM 379 O SER A 24 13.966 20.315 12.199 1.00 40.10 O ATOM 380 CB SER A 24 12.804 17.573 10.993 1.00 75.54 C ATOM 381 OG SER A 24 13.262 17.340 12.315 1.00 4.42 O ATOM 0 H SER A 24 11.775 18.384 8.904 1.00 0.35 H new ATOM 0 HA SER A 24 11.717 19.407 11.448 1.00 2.04 H new ATOM 0 HB2 SER A 24 11.910 16.978 10.805 1.00 75.54 H new ATOM 0 HB3 SER A 24 13.561 17.245 10.280 1.00 75.54 H new ATOM 0 HG SER A 24 13.452 16.386 12.432 1.00 4.42 H new ATOM 387 N LYS A 25 14.611 20.084 10.066 1.00 63.44 N ATOM 388 CA LYS A 25 15.893 20.774 10.276 1.00 53.23 C ATOM 389 C LYS A 25 15.892 22.188 9.649 1.00 23.14 C ATOM 390 O LYS A 25 16.947 22.771 9.397 1.00 3.33 O ATOM 391 CB LYS A 25 17.025 19.911 9.691 1.00 52.44 C ATOM 392 CG LYS A 25 18.424 20.282 10.184 1.00 11.25 C ATOM 393 CD LYS A 25 19.475 19.284 9.708 1.00 31.13 C ATOM 394 CE LYS A 25 20.858 19.618 10.258 1.00 43.42 C ATOM 395 NZ LYS A 25 21.341 20.946 9.794 1.00 30.22 N ATOM 0 H LYS A 25 14.445 19.785 9.105 1.00 63.44 H new ATOM 0 HA LYS A 25 16.051 20.907 11.346 1.00 53.23 H new ATOM 0 HB2 LYS A 25 16.832 18.867 9.936 1.00 52.44 H new ATOM 0 HB3 LYS A 25 17.003 19.993 8.604 1.00 52.44 H new ATOM 0 HG2 LYS A 25 18.682 21.279 9.828 1.00 11.25 H new ATOM 0 HG3 LYS A 25 18.427 20.321 11.273 1.00 11.25 H new ATOM 0 HD2 LYS A 25 19.191 18.279 10.021 1.00 31.13 H new ATOM 0 HD3 LYS A 25 19.507 19.281 8.618 1.00 31.13 H new ATOM 0 HE2 LYS A 25 20.827 19.605 11.347 1.00 43.42 H new ATOM 0 HE3 LYS A 25 21.565 18.848 9.950 1.00 43.42 H new ATOM 0 HZ1 LYS A 25 22.377 20.988 9.878 1.00 30.22 H new ATOM 0 HZ2 LYS A 25 21.068 21.087 8.800 1.00 30.22 H new ATOM 0 HZ3 LYS A 25 20.916 21.694 10.379 1.00 30.22 H new ATOM 409 N ALA A 26 14.700 22.748 9.443 1.00 41.22 N ATOM 410 CA ALA A 26 14.554 24.071 8.813 1.00 72.05 C ATOM 411 C ALA A 26 15.026 25.219 9.724 1.00 44.34 C ATOM 412 O ALA A 26 15.411 26.287 9.243 1.00 24.54 O ATOM 413 CB ALA A 26 13.103 24.291 8.402 1.00 41.24 C ATOM 0 H ALA A 26 13.816 22.309 9.702 1.00 41.22 H new ATOM 0 HA ALA A 26 15.196 24.081 7.932 1.00 72.05 H new ATOM 0 HB1 ALA A 26 13.001 25.271 7.937 1.00 41.24 H new ATOM 0 HB2 ALA A 26 12.805 23.520 7.692 1.00 41.24 H new ATOM 0 HB3 ALA A 26 12.463 24.240 9.283 1.00 41.24 H new ATOM 419 N ASP A 27 15.012 24.990 11.037 1.00 1.20 N ATOM 420 CA ASP A 27 15.369 26.029 12.018 1.00 23.35 C ATOM 421 C ASP A 27 16.813 26.541 11.846 1.00 13.33 C ATOM 422 O ASP A 27 17.169 27.602 12.370 1.00 43.35 O ATOM 423 CB ASP A 27 15.180 25.492 13.434 1.00 3.33 C ATOM 424 CG ASP A 27 13.754 25.031 13.689 1.00 64.22 C ATOM 425 OD1 ASP A 27 12.895 25.880 14.007 1.00 63.11 O ATOM 426 OD2 ASP A 27 13.486 23.816 13.572 1.00 62.20 O ATOM 0 H ASP A 27 14.757 24.094 11.452 1.00 1.20 H new ATOM 0 HA ASP A 27 14.704 26.875 11.843 1.00 23.35 H new ATOM 0 HB2 ASP A 27 15.864 24.659 13.599 1.00 3.33 H new ATOM 0 HB3 ASP A 27 15.443 26.268 14.153 1.00 3.33 H new ATOM 431 N ASN A 28 17.641 25.786 11.122 1.00 51.32 N ATOM 432 CA ASN A 28 19.039 26.175 10.884 1.00 3.43 C ATOM 433 C ASN A 28 19.163 27.277 9.812 1.00 60.53 C ATOM 434 O ASN A 28 20.253 27.804 9.578 1.00 61.14 O ATOM 435 CB ASN A 28 19.874 24.952 10.485 1.00 73.40 C ATOM 436 CG ASN A 28 19.947 23.904 11.586 1.00 1.43 C ATOM 437 OD1 ASN A 28 20.042 22.714 11.319 1.00 34.20 O ATOM 438 ND2 ASN A 28 19.917 24.333 12.834 1.00 50.32 N ATOM 0 H ASN A 28 17.372 24.902 10.689 1.00 51.32 H new ATOM 0 HA ASN A 28 19.423 26.584 11.818 1.00 3.43 H new ATOM 0 HB2 ASN A 28 19.446 24.502 9.589 1.00 73.40 H new ATOM 0 HB3 ASN A 28 20.883 25.274 10.229 1.00 73.40 H new ATOM 0 HD21 ASN A 28 19.974 23.666 13.604 1.00 50.32 H new ATOM 0 HD22 ASN A 28 19.837 25.331 13.028 1.00 50.32 H new ATOM 445 N GLY A 29 18.045 27.617 9.163 1.00 14.20 N ATOM 446 CA GLY A 29 18.033 28.727 8.205 1.00 31.32 C ATOM 447 C GLY A 29 17.318 28.405 6.894 1.00 73.44 C ATOM 448 O GLY A 29 16.577 29.235 6.362 1.00 44.54 O ATOM 0 H GLY A 29 17.148 27.147 9.281 1.00 14.20 H new ATOM 0 HA2 GLY A 29 17.552 29.588 8.668 1.00 31.32 H new ATOM 0 HA3 GLY A 29 19.061 29.016 7.986 1.00 31.32 H new ATOM 452 N GLN A 30 17.540 27.206 6.363 1.00 52.05 N ATOM 453 CA GLN A 30 16.905 26.788 5.108 1.00 21.12 C ATOM 454 C GLN A 30 15.565 26.089 5.370 1.00 34.20 C ATOM 455 O GLN A 30 15.520 24.981 5.909 1.00 1.34 O ATOM 456 CB GLN A 30 17.843 25.865 4.318 1.00 64.44 C ATOM 457 CG GLN A 30 17.231 25.317 3.031 1.00 54.33 C ATOM 458 CD GLN A 30 18.186 24.431 2.244 1.00 31.30 C ATOM 459 OE1 GLN A 30 19.466 24.744 2.268 1.00 3.21 O flip ATOM 460 NE2 GLN A 30 17.766 23.482 1.591 1.00 1.02 N flip ATOM 0 H GLN A 30 18.153 26.505 6.778 1.00 52.05 H new ATOM 0 HA GLN A 30 16.708 27.682 4.516 1.00 21.12 H new ATOM 0 HB2 GLN A 30 18.753 26.412 4.072 1.00 64.44 H new ATOM 0 HB3 GLN A 30 18.136 25.030 4.954 1.00 64.44 H new ATOM 0 HG2 GLN A 30 16.335 24.747 3.276 1.00 54.33 H new ATOM 0 HG3 GLN A 30 16.917 26.150 2.402 1.00 54.33 H new ATOM 0 HE21 GLN A 30 16.770 23.264 1.592 1.00 1.02 H new ATOM 0 HE22 GLN A 30 18.413 22.911 1.047 1.00 1.02 H new ATOM 469 N LYS A 31 14.477 26.742 4.978 1.00 51.00 N ATOM 470 CA LYS A 31 13.131 26.218 5.219 1.00 63.50 C ATOM 471 C LYS A 31 12.645 25.348 4.050 1.00 63.34 C ATOM 472 O LYS A 31 11.848 25.783 3.214 1.00 71.40 O ATOM 473 CB LYS A 31 12.160 27.377 5.482 1.00 63.14 C ATOM 474 CG LYS A 31 12.594 28.273 6.640 1.00 41.53 C ATOM 475 CD LYS A 31 11.629 29.435 6.863 1.00 24.01 C ATOM 476 CE LYS A 31 12.108 30.360 7.979 1.00 74.54 C ATOM 477 NZ LYS A 31 11.147 31.466 8.232 1.00 1.34 N ATOM 0 H LYS A 31 14.497 27.638 4.490 1.00 51.00 H new ATOM 0 HA LYS A 31 13.166 25.579 6.101 1.00 63.50 H new ATOM 0 HB2 LYS A 31 12.070 27.980 4.578 1.00 63.14 H new ATOM 0 HB3 LYS A 31 11.170 26.973 5.695 1.00 63.14 H new ATOM 0 HG2 LYS A 31 12.661 27.679 7.551 1.00 41.53 H new ATOM 0 HG3 LYS A 31 13.591 28.664 6.440 1.00 41.53 H new ATOM 0 HD2 LYS A 31 11.524 30.003 5.939 1.00 24.01 H new ATOM 0 HD3 LYS A 31 10.642 29.046 7.112 1.00 24.01 H new ATOM 0 HE2 LYS A 31 12.247 29.784 8.894 1.00 74.54 H new ATOM 0 HE3 LYS A 31 13.080 30.777 7.713 1.00 74.54 H new ATOM 0 HZ1 LYS A 31 11.508 32.072 8.996 1.00 1.34 H new ATOM 0 HZ2 LYS A 31 11.033 32.031 7.367 1.00 1.34 H new ATOM 0 HZ3 LYS A 31 10.227 31.069 8.510 1.00 1.34 H new ATOM 491 N TYR A 32 13.148 24.120 3.992 1.00 12.40 N ATOM 492 CA TYR A 32 12.753 23.158 2.956 1.00 13.03 C ATOM 493 C TYR A 32 11.400 22.503 3.294 1.00 31.10 C ATOM 494 O TYR A 32 11.195 22.022 4.408 1.00 22.40 O ATOM 495 CB TYR A 32 13.845 22.085 2.789 1.00 64.02 C ATOM 496 CG TYR A 32 14.106 21.254 4.037 1.00 2.11 C ATOM 497 CD1 TYR A 32 14.836 21.771 5.103 1.00 52.22 C ATOM 498 CD2 TYR A 32 13.624 19.952 4.146 1.00 64.41 C ATOM 499 CE1 TYR A 32 15.072 21.021 6.238 1.00 45.12 C ATOM 500 CE2 TYR A 32 13.855 19.196 5.280 1.00 73.21 C ATOM 501 CZ TYR A 32 14.583 19.735 6.322 1.00 33.43 C ATOM 502 OH TYR A 32 14.815 18.989 7.458 1.00 42.44 O ATOM 0 H TYR A 32 13.836 23.760 4.654 1.00 12.40 H new ATOM 0 HA TYR A 32 12.638 23.696 2.015 1.00 13.03 H new ATOM 0 HB2 TYR A 32 13.560 21.417 1.976 1.00 64.02 H new ATOM 0 HB3 TYR A 32 14.773 22.572 2.491 1.00 64.02 H new ATOM 0 HD1 TYR A 32 15.225 22.777 5.041 1.00 52.22 H new ATOM 0 HD2 TYR A 32 13.060 19.525 3.330 1.00 64.41 H new ATOM 0 HE1 TYR A 32 15.638 21.440 7.057 1.00 45.12 H new ATOM 0 HE2 TYR A 32 13.468 18.190 5.350 1.00 73.21 H new ATOM 0 HH TYR A 32 14.403 18.105 7.359 1.00 42.44 H new ATOM 512 N LYS A 33 10.470 22.505 2.337 1.00 31.34 N ATOM 513 CA LYS A 33 9.137 21.918 2.553 1.00 44.44 C ATOM 514 C LYS A 33 8.836 20.747 1.597 1.00 14.43 C ATOM 515 O LYS A 33 8.539 20.944 0.418 1.00 23.34 O ATOM 516 CB LYS A 33 8.033 22.987 2.427 1.00 72.20 C ATOM 517 CG LYS A 33 7.716 23.727 3.727 1.00 14.23 C ATOM 518 CD LYS A 33 8.823 24.688 4.152 1.00 52.42 C ATOM 519 CE LYS A 33 8.542 25.304 5.519 1.00 5.33 C ATOM 520 NZ LYS A 33 7.174 25.885 5.608 1.00 34.21 N ATOM 0 H LYS A 33 10.610 22.903 1.408 1.00 31.34 H new ATOM 0 HA LYS A 33 9.144 21.521 3.568 1.00 44.44 H new ATOM 0 HB2 LYS A 33 8.334 23.715 1.673 1.00 72.20 H new ATOM 0 HB3 LYS A 33 7.123 22.510 2.064 1.00 72.20 H new ATOM 0 HG2 LYS A 33 6.787 24.283 3.604 1.00 14.23 H new ATOM 0 HG3 LYS A 33 7.549 22.999 4.521 1.00 14.23 H new ATOM 0 HD2 LYS A 33 9.774 24.157 4.181 1.00 52.42 H new ATOM 0 HD3 LYS A 33 8.922 25.480 3.410 1.00 52.42 H new ATOM 0 HE2 LYS A 33 8.661 24.542 6.289 1.00 5.33 H new ATOM 0 HE3 LYS A 33 9.278 26.082 5.723 1.00 5.33 H new ATOM 0 HZ1 LYS A 33 7.151 26.606 6.357 1.00 34.21 H new ATOM 0 HZ2 LYS A 33 6.923 26.322 4.698 1.00 34.21 H new ATOM 0 HZ3 LYS A 33 6.491 25.133 5.831 1.00 34.21 H new ATOM 534 N ASP A 34 8.921 19.528 2.122 1.00 21.41 N ATOM 535 CA ASP A 34 8.460 18.335 1.409 1.00 15.45 C ATOM 536 C ASP A 34 7.192 17.777 2.083 1.00 64.20 C ATOM 537 O ASP A 34 7.166 17.571 3.299 1.00 64.22 O ATOM 538 CB ASP A 34 9.558 17.262 1.385 1.00 15.21 C ATOM 539 CG ASP A 34 10.801 17.708 0.635 1.00 25.23 C ATOM 540 OD1 ASP A 34 11.651 18.396 1.237 1.00 64.42 O ATOM 541 OD2 ASP A 34 10.946 17.354 -0.557 1.00 3.34 O ATOM 0 H ASP A 34 9.308 19.337 3.046 1.00 21.41 H new ATOM 0 HA ASP A 34 8.226 18.613 0.381 1.00 15.45 H new ATOM 0 HB2 ASP A 34 9.830 17.004 2.409 1.00 15.21 H new ATOM 0 HB3 ASP A 34 9.165 16.357 0.922 1.00 15.21 H new ATOM 546 N TYR A 35 6.140 17.556 1.298 1.00 75.42 N ATOM 547 CA TYR A 35 4.875 17.023 1.823 1.00 74.40 C ATOM 548 C TYR A 35 4.851 15.486 1.801 1.00 30.54 C ATOM 549 O TYR A 35 4.881 14.873 0.733 1.00 44.32 O ATOM 550 CB TYR A 35 3.690 17.563 1.012 1.00 14.05 C ATOM 551 CG TYR A 35 3.489 19.062 1.127 1.00 25.12 C ATOM 552 CD1 TYR A 35 3.213 19.652 2.357 1.00 42.22 C ATOM 553 CD2 TYR A 35 3.553 19.885 0.006 1.00 44.33 C ATOM 554 CE1 TYR A 35 3.005 21.013 2.465 1.00 72.24 C ATOM 555 CE2 TYR A 35 3.352 21.248 0.109 1.00 41.22 C ATOM 556 CZ TYR A 35 3.077 21.806 1.341 1.00 21.23 C ATOM 557 OH TYR A 35 2.861 23.163 1.447 1.00 50.20 O ATOM 0 H TYR A 35 6.134 17.737 0.294 1.00 75.42 H new ATOM 0 HA TYR A 35 4.791 17.351 2.859 1.00 74.40 H new ATOM 0 HB2 TYR A 35 3.836 17.307 -0.037 1.00 14.05 H new ATOM 0 HB3 TYR A 35 2.780 17.060 1.340 1.00 14.05 H new ATOM 0 HD1 TYR A 35 3.161 19.035 3.242 1.00 42.22 H new ATOM 0 HD2 TYR A 35 3.763 19.451 -0.960 1.00 44.33 H new ATOM 0 HE1 TYR A 35 2.787 21.454 3.427 1.00 72.24 H new ATOM 0 HE2 TYR A 35 3.410 21.873 -0.770 1.00 41.22 H new ATOM 0 HH TYR A 35 2.949 23.578 0.564 1.00 50.20 H new ATOM 567 N GLU A 36 4.805 14.871 2.982 1.00 63.24 N ATOM 568 CA GLU A 36 4.688 13.411 3.101 1.00 43.25 C ATOM 569 C GLU A 36 3.238 12.946 2.872 1.00 33.33 C ATOM 570 O GLU A 36 2.288 13.585 3.328 1.00 30.54 O ATOM 571 CB GLU A 36 5.155 12.949 4.493 1.00 22.44 C ATOM 572 CG GLU A 36 4.867 11.476 4.789 1.00 54.44 C ATOM 573 CD GLU A 36 4.932 11.140 6.273 1.00 44.13 C ATOM 574 OE1 GLU A 36 4.009 11.543 7.019 1.00 31.21 O ATOM 575 OE2 GLU A 36 5.890 10.458 6.700 1.00 45.02 O ATOM 0 H GLU A 36 4.847 15.360 3.876 1.00 63.24 H new ATOM 0 HA GLU A 36 5.323 12.966 2.334 1.00 43.25 H new ATOM 0 HB2 GLU A 36 6.227 13.124 4.582 1.00 22.44 H new ATOM 0 HB3 GLU A 36 4.668 13.563 5.251 1.00 22.44 H new ATOM 0 HG2 GLU A 36 3.878 11.222 4.408 1.00 54.44 H new ATOM 0 HG3 GLU A 36 5.584 10.857 4.251 1.00 54.44 H new ATOM 582 N TYR A 37 3.079 11.833 2.162 1.00 3.15 N ATOM 583 CA TYR A 37 1.768 11.205 1.973 1.00 42.34 C ATOM 584 C TYR A 37 1.764 9.788 2.561 1.00 72.30 C ATOM 585 O TYR A 37 2.417 8.883 2.040 1.00 62.22 O ATOM 586 CB TYR A 37 1.402 11.178 0.483 1.00 51.41 C ATOM 587 CG TYR A 37 1.196 12.566 -0.098 1.00 70.11 C ATOM 588 CD1 TYR A 37 2.269 13.304 -0.590 1.00 14.33 C ATOM 589 CD2 TYR A 37 -0.067 13.148 -0.132 1.00 55.25 C ATOM 590 CE1 TYR A 37 2.087 14.578 -1.093 1.00 53.05 C ATOM 591 CE2 TYR A 37 -0.254 14.419 -0.640 1.00 43.52 C ATOM 592 CZ TYR A 37 0.824 15.129 -1.117 1.00 34.21 C ATOM 593 OH TYR A 37 0.640 16.403 -1.613 1.00 72.54 O ATOM 0 H TYR A 37 3.846 11.342 1.703 1.00 3.15 H new ATOM 0 HA TYR A 37 1.018 11.794 2.500 1.00 42.34 H new ATOM 0 HB2 TYR A 37 2.192 10.671 -0.071 1.00 51.41 H new ATOM 0 HB3 TYR A 37 0.492 10.594 0.348 1.00 51.41 H new ATOM 0 HD1 TYR A 37 3.260 12.874 -0.578 1.00 14.33 H new ATOM 0 HD2 TYR A 37 -0.916 12.597 0.245 1.00 55.25 H new ATOM 0 HE1 TYR A 37 2.931 15.140 -1.466 1.00 53.05 H new ATOM 0 HE2 TYR A 37 -1.242 14.854 -0.663 1.00 43.52 H new ATOM 0 HH TYR A 37 1.408 16.652 -2.169 1.00 72.54 H new ATOM 603 N LYS A 38 1.032 9.615 3.659 1.00 31.14 N ATOM 604 CA LYS A 38 1.011 8.344 4.393 1.00 12.41 C ATOM 605 C LYS A 38 -0.193 7.483 3.983 1.00 30.14 C ATOM 606 O LYS A 38 -1.340 7.840 4.254 1.00 23.12 O ATOM 607 CB LYS A 38 0.951 8.625 5.901 1.00 70.22 C ATOM 608 CG LYS A 38 1.198 7.399 6.778 1.00 65.13 C ATOM 609 CD LYS A 38 2.680 7.037 6.856 1.00 30.03 C ATOM 610 CE LYS A 38 3.492 8.154 7.509 1.00 33.35 C ATOM 611 NZ LYS A 38 4.918 7.783 7.697 1.00 34.24 N ATOM 0 H LYS A 38 0.441 10.341 4.065 1.00 31.14 H new ATOM 0 HA LYS A 38 1.921 7.795 4.151 1.00 12.41 H new ATOM 0 HB2 LYS A 38 1.690 9.388 6.146 1.00 70.22 H new ATOM 0 HB3 LYS A 38 -0.028 9.039 6.143 1.00 70.22 H new ATOM 0 HG2 LYS A 38 0.819 7.590 7.782 1.00 65.13 H new ATOM 0 HG3 LYS A 38 0.639 6.552 6.381 1.00 65.13 H new ATOM 0 HD2 LYS A 38 2.802 6.116 7.426 1.00 30.03 H new ATOM 0 HD3 LYS A 38 3.063 6.845 5.854 1.00 30.03 H new ATOM 0 HE2 LYS A 38 3.431 9.051 6.893 1.00 33.35 H new ATOM 0 HE3 LYS A 38 3.053 8.401 8.476 1.00 33.35 H new ATOM 0 HZ1 LYS A 38 5.518 8.616 7.529 1.00 34.24 H new ATOM 0 HZ2 LYS A 38 5.063 7.442 8.669 1.00 34.24 H new ATOM 0 HZ3 LYS A 38 5.173 7.031 7.025 1.00 34.24 H new ATOM 625 N LEU A 39 0.074 6.354 3.335 1.00 61.51 N ATOM 626 CA LEU A 39 -0.991 5.444 2.894 1.00 21.44 C ATOM 627 C LEU A 39 -0.502 3.987 2.815 1.00 54.01 C ATOM 628 O LEU A 39 0.698 3.716 2.883 1.00 12.34 O ATOM 629 CB LEU A 39 -1.572 5.928 1.548 1.00 73.25 C ATOM 630 CG LEU A 39 -0.555 6.524 0.551 1.00 61.33 C ATOM 631 CD1 LEU A 39 0.343 5.445 -0.050 1.00 13.22 C ATOM 632 CD2 LEU A 39 -1.272 7.313 -0.543 1.00 71.05 C ATOM 0 H LEU A 39 1.017 6.042 3.101 1.00 61.51 H new ATOM 0 HA LEU A 39 -1.787 5.460 3.638 1.00 21.44 H new ATOM 0 HB2 LEU A 39 -2.073 5.088 1.067 1.00 73.25 H new ATOM 0 HB3 LEU A 39 -2.335 6.680 1.753 1.00 73.25 H new ATOM 0 HG LEU A 39 0.088 7.210 1.103 1.00 61.33 H new ATOM 0 HD11 LEU A 39 1.045 5.903 -0.747 1.00 13.22 H new ATOM 0 HD12 LEU A 39 0.895 4.946 0.746 1.00 13.22 H new ATOM 0 HD13 LEU A 39 -0.270 4.715 -0.579 1.00 13.22 H new ATOM 0 HD21 LEU A 39 -0.538 7.725 -1.235 1.00 71.05 H new ATOM 0 HD22 LEU A 39 -1.950 6.652 -1.084 1.00 71.05 H new ATOM 0 HD23 LEU A 39 -1.841 8.126 -0.092 1.00 71.05 H new ATOM 644 N THR A 40 -1.439 3.053 2.671 1.00 14.13 N ATOM 645 CA THR A 40 -1.117 1.617 2.701 1.00 21.02 C ATOM 646 C THR A 40 -1.420 0.933 1.362 1.00 75.33 C ATOM 647 O THR A 40 -2.560 0.934 0.897 1.00 40.32 O ATOM 648 CB THR A 40 -1.907 0.884 3.818 1.00 71.33 C ATOM 649 OG1 THR A 40 -1.653 1.500 5.091 1.00 33.21 O ATOM 650 CG2 THR A 40 -1.530 -0.596 3.886 1.00 3.01 C ATOM 0 H THR A 40 -2.428 3.258 2.532 1.00 14.13 H new ATOM 0 HA THR A 40 -0.048 1.551 2.902 1.00 21.02 H new ATOM 0 HB THR A 40 -2.968 0.960 3.578 1.00 71.33 H new ATOM 0 HG1 THR A 40 -2.158 1.031 5.788 1.00 33.21 H new ATOM 0 HG21 THR A 40 -2.101 -1.081 4.678 1.00 3.01 H new ATOM 0 HG22 THR A 40 -1.756 -1.073 2.932 1.00 3.01 H new ATOM 0 HG23 THR A 40 -0.465 -0.691 4.096 1.00 3.01 H new ATOM 658 N GLY A 41 -0.395 0.341 0.754 1.00 70.31 N ATOM 659 CA GLY A 41 -0.577 -0.415 -0.480 1.00 11.12 C ATOM 660 C GLY A 41 -0.854 -1.894 -0.221 1.00 52.15 C ATOM 661 O GLY A 41 -0.349 -2.463 0.748 1.00 21.33 O ATOM 0 H GLY A 41 0.566 0.370 1.095 1.00 70.31 H new ATOM 0 HA2 GLY A 41 -1.404 0.013 -1.046 1.00 11.12 H new ATOM 0 HA3 GLY A 41 0.316 -0.318 -1.097 1.00 11.12 H new ATOM 665 N PHE A 42 -1.657 -2.521 -1.081 1.00 55.45 N ATOM 666 CA PHE A 42 -2.020 -3.932 -0.909 1.00 54.14 C ATOM 667 C PHE A 42 -1.431 -4.819 -2.018 1.00 62.00 C ATOM 668 O PHE A 42 -1.887 -4.798 -3.163 1.00 32.13 O ATOM 669 CB PHE A 42 -3.548 -4.087 -0.863 1.00 12.43 C ATOM 670 CG PHE A 42 -4.177 -3.453 0.355 1.00 75.30 C ATOM 671 CD1 PHE A 42 -4.324 -4.176 1.532 1.00 1.35 C ATOM 672 CD2 PHE A 42 -4.616 -2.136 0.327 1.00 63.10 C ATOM 673 CE1 PHE A 42 -4.892 -3.600 2.652 1.00 4.54 C ATOM 674 CE2 PHE A 42 -5.187 -1.556 1.445 1.00 24.20 C ATOM 675 CZ PHE A 42 -5.325 -2.289 2.608 1.00 4.32 C ATOM 0 H PHE A 42 -2.069 -2.078 -1.902 1.00 55.45 H new ATOM 0 HA PHE A 42 -1.594 -4.264 0.038 1.00 54.14 H new ATOM 0 HB2 PHE A 42 -3.979 -3.641 -1.759 1.00 12.43 H new ATOM 0 HB3 PHE A 42 -3.799 -5.147 -0.883 1.00 12.43 H new ATOM 0 HD1 PHE A 42 -3.990 -5.202 1.572 1.00 1.35 H new ATOM 0 HD2 PHE A 42 -4.510 -1.558 -0.579 1.00 63.10 H new ATOM 0 HE1 PHE A 42 -4.997 -4.174 3.561 1.00 4.54 H new ATOM 0 HE2 PHE A 42 -5.525 -0.531 1.409 1.00 24.20 H new ATOM 0 HZ PHE A 42 -5.771 -1.837 3.482 1.00 4.32 H new ATOM 685 N ASP A 43 -0.413 -5.601 -1.662 1.00 2.01 N ATOM 686 CA ASP A 43 0.217 -6.540 -2.593 1.00 50.11 C ATOM 687 C ASP A 43 -0.608 -7.832 -2.690 1.00 25.23 C ATOM 688 O ASP A 43 -1.104 -8.338 -1.681 1.00 71.00 O ATOM 689 CB ASP A 43 1.646 -6.855 -2.128 1.00 14.04 C ATOM 690 CG ASP A 43 2.413 -7.697 -3.132 1.00 41.50 C ATOM 691 OD1 ASP A 43 3.002 -7.116 -4.069 1.00 55.21 O ATOM 692 OD2 ASP A 43 2.423 -8.939 -2.999 1.00 1.50 O ATOM 0 H ASP A 43 -0.003 -5.603 -0.728 1.00 2.01 H new ATOM 0 HA ASP A 43 0.258 -6.082 -3.581 1.00 50.11 H new ATOM 0 HB2 ASP A 43 2.183 -5.922 -1.956 1.00 14.04 H new ATOM 0 HB3 ASP A 43 1.606 -7.380 -1.174 1.00 14.04 H new ATOM 697 N LYS A 44 -0.778 -8.350 -3.908 1.00 54.01 N ATOM 698 CA LYS A 44 -1.560 -9.577 -4.127 1.00 73.22 C ATOM 699 C LYS A 44 -3.027 -9.387 -3.669 1.00 23.03 C ATOM 700 O LYS A 44 -3.773 -10.357 -3.511 1.00 71.35 O ATOM 701 CB LYS A 44 -0.910 -10.756 -3.375 1.00 2.33 C ATOM 702 CG LYS A 44 -1.458 -12.133 -3.753 1.00 71.13 C ATOM 703 CD LYS A 44 -0.935 -13.228 -2.825 1.00 61.42 C ATOM 704 CE LYS A 44 0.588 -13.295 -2.812 1.00 53.33 C ATOM 705 NZ LYS A 44 1.153 -13.553 -4.165 1.00 1.31 N ATOM 0 H LYS A 44 -0.388 -7.943 -4.758 1.00 54.01 H new ATOM 0 HA LYS A 44 -1.566 -9.797 -5.195 1.00 73.22 H new ATOM 0 HB2 LYS A 44 0.163 -10.743 -3.564 1.00 2.33 H new ATOM 0 HB3 LYS A 44 -1.047 -10.606 -2.304 1.00 2.33 H new ATOM 0 HG2 LYS A 44 -2.547 -12.114 -3.714 1.00 71.13 H new ATOM 0 HG3 LYS A 44 -1.180 -12.365 -4.781 1.00 71.13 H new ATOM 0 HD2 LYS A 44 -1.297 -13.048 -1.813 1.00 61.42 H new ATOM 0 HD3 LYS A 44 -1.336 -14.191 -3.140 1.00 61.42 H new ATOM 0 HE2 LYS A 44 0.988 -12.357 -2.427 1.00 53.33 H new ATOM 0 HE3 LYS A 44 0.909 -14.082 -2.130 1.00 53.33 H new ATOM 0 HZ1 LYS A 44 2.181 -13.691 -4.091 1.00 1.31 H new ATOM 0 HZ2 LYS A 44 0.717 -14.407 -4.566 1.00 1.31 H new ATOM 0 HZ3 LYS A 44 0.956 -12.741 -4.784 1.00 1.31 H new ATOM 719 N ASP A 45 -3.427 -8.124 -3.461 1.00 24.52 N ATOM 720 CA ASP A 45 -4.779 -7.783 -2.987 1.00 4.21 C ATOM 721 C ASP A 45 -5.010 -8.243 -1.523 1.00 62.11 C ATOM 722 O ASP A 45 -6.101 -8.095 -0.973 1.00 60.44 O ATOM 723 CB ASP A 45 -5.830 -8.379 -3.946 1.00 63.41 C ATOM 724 CG ASP A 45 -7.260 -8.095 -3.525 1.00 1.30 C ATOM 725 OD1 ASP A 45 -7.674 -6.919 -3.555 1.00 35.43 O ATOM 726 OD2 ASP A 45 -7.977 -9.052 -3.159 1.00 45.45 O ATOM 0 H ASP A 45 -2.827 -7.313 -3.615 1.00 24.52 H new ATOM 0 HA ASP A 45 -4.883 -6.698 -2.987 1.00 4.21 H new ATOM 0 HB2 ASP A 45 -5.667 -7.978 -4.946 1.00 63.41 H new ATOM 0 HB3 ASP A 45 -5.685 -9.458 -4.008 1.00 63.41 H new ATOM 731 N GLY A 46 -3.960 -8.757 -0.880 1.00 41.15 N ATOM 732 CA GLY A 46 -4.081 -9.260 0.490 1.00 21.22 C ATOM 733 C GLY A 46 -2.981 -8.756 1.422 1.00 31.43 C ATOM 734 O GLY A 46 -3.243 -8.401 2.574 1.00 15.42 O ATOM 0 H GLY A 46 -3.025 -8.836 -1.281 1.00 41.15 H new ATOM 0 HA2 GLY A 46 -5.050 -8.966 0.892 1.00 21.22 H new ATOM 0 HA3 GLY A 46 -4.060 -10.350 0.472 1.00 21.22 H new ATOM 738 N LYS A 47 -1.747 -8.740 0.933 1.00 55.33 N ATOM 739 CA LYS A 47 -0.601 -8.273 1.721 1.00 33.23 C ATOM 740 C LYS A 47 -0.641 -6.750 1.920 1.00 14.01 C ATOM 741 O LYS A 47 -0.889 -6.004 0.979 1.00 74.15 O ATOM 742 CB LYS A 47 0.712 -8.652 1.023 1.00 64.25 C ATOM 743 CG LYS A 47 0.854 -10.140 0.725 1.00 0.44 C ATOM 744 CD LYS A 47 0.836 -10.976 1.999 1.00 22.50 C ATOM 745 CE LYS A 47 1.021 -12.458 1.707 1.00 32.33 C ATOM 746 NZ LYS A 47 0.992 -13.265 2.952 1.00 73.31 N ATOM 0 H LYS A 47 -1.508 -9.046 -0.010 1.00 55.33 H new ATOM 0 HA LYS A 47 -0.656 -8.755 2.697 1.00 33.23 H new ATOM 0 HB2 LYS A 47 0.787 -8.097 0.088 1.00 64.25 H new ATOM 0 HB3 LYS A 47 1.547 -8.337 1.649 1.00 64.25 H new ATOM 0 HG2 LYS A 47 0.043 -10.459 0.070 1.00 0.44 H new ATOM 0 HG3 LYS A 47 1.786 -10.316 0.188 1.00 0.44 H new ATOM 0 HD2 LYS A 47 1.627 -10.636 2.668 1.00 22.50 H new ATOM 0 HD3 LYS A 47 -0.109 -10.824 2.520 1.00 22.50 H new ATOM 0 HE2 LYS A 47 0.235 -12.798 1.033 1.00 32.33 H new ATOM 0 HE3 LYS A 47 1.970 -12.613 1.194 1.00 32.33 H new ATOM 0 HZ1 LYS A 47 1.121 -14.270 2.717 1.00 73.31 H new ATOM 0 HZ2 LYS A 47 1.758 -12.956 3.584 1.00 73.31 H new ATOM 0 HZ3 LYS A 47 0.077 -13.135 3.428 1.00 73.31 H new ATOM 760 N GLU A 48 -0.383 -6.296 3.142 1.00 72.23 N ATOM 761 CA GLU A 48 -0.343 -4.855 3.436 1.00 74.14 C ATOM 762 C GLU A 48 1.102 -4.328 3.418 1.00 4.14 C ATOM 763 O GLU A 48 2.031 -5.020 3.838 1.00 21.41 O ATOM 764 CB GLU A 48 -0.985 -4.571 4.805 1.00 14.21 C ATOM 765 CG GLU A 48 -0.267 -5.241 5.975 1.00 40.34 C ATOM 766 CD GLU A 48 -0.871 -4.884 7.324 1.00 3.35 C ATOM 767 OE1 GLU A 48 -0.516 -3.824 7.880 1.00 41.32 O ATOM 768 OE2 GLU A 48 -1.696 -5.669 7.843 1.00 33.44 O ATOM 0 H GLU A 48 -0.198 -6.896 3.946 1.00 72.23 H new ATOM 0 HA GLU A 48 -0.909 -4.338 2.661 1.00 74.14 H new ATOM 0 HB2 GLU A 48 -1.003 -3.494 4.971 1.00 14.21 H new ATOM 0 HB3 GLU A 48 -2.022 -4.908 4.786 1.00 14.21 H new ATOM 0 HG2 GLU A 48 -0.299 -6.323 5.843 1.00 40.34 H new ATOM 0 HG3 GLU A 48 0.783 -4.950 5.965 1.00 40.34 H new ATOM 775 N LYS A 49 1.292 -3.110 2.912 1.00 21.24 N ATOM 776 CA LYS A 49 2.617 -2.479 2.903 1.00 73.11 C ATOM 777 C LYS A 49 2.509 -0.963 3.139 1.00 5.52 C ATOM 778 O LYS A 49 1.717 -0.276 2.497 1.00 75.24 O ATOM 779 CB LYS A 49 3.344 -2.767 1.577 1.00 61.12 C ATOM 780 CG LYS A 49 4.803 -2.280 1.501 1.00 73.23 C ATOM 781 CD LYS A 49 5.734 -3.019 2.477 1.00 52.13 C ATOM 782 CE LYS A 49 5.756 -2.376 3.866 1.00 3.13 C ATOM 783 NZ LYS A 49 6.362 -3.257 4.901 1.00 62.35 N ATOM 0 H LYS A 49 0.551 -2.540 2.504 1.00 21.24 H new ATOM 0 HA LYS A 49 3.199 -2.908 3.719 1.00 73.11 H new ATOM 0 HB2 LYS A 49 3.329 -3.843 1.401 1.00 61.12 H new ATOM 0 HB3 LYS A 49 2.782 -2.303 0.766 1.00 61.12 H new ATOM 0 HG2 LYS A 49 5.172 -2.413 0.484 1.00 73.23 H new ATOM 0 HG3 LYS A 49 4.835 -1.212 1.715 1.00 73.23 H new ATOM 0 HD2 LYS A 49 5.412 -4.057 2.566 1.00 52.13 H new ATOM 0 HD3 LYS A 49 6.745 -3.032 2.070 1.00 52.13 H new ATOM 0 HE2 LYS A 49 6.314 -1.441 3.819 1.00 3.13 H new ATOM 0 HE3 LYS A 49 4.737 -2.125 4.161 1.00 3.13 H new ATOM 0 HZ1 LYS A 49 6.127 -2.894 5.847 1.00 62.35 H new ATOM 0 HZ2 LYS A 49 5.988 -4.222 4.798 1.00 62.35 H new ATOM 0 HZ3 LYS A 49 7.395 -3.272 4.783 1.00 62.35 H new ATOM 797 N GLU A 50 3.303 -0.463 4.080 1.00 64.53 N ATOM 798 CA GLU A 50 3.360 0.967 4.393 1.00 61.33 C ATOM 799 C GLU A 50 4.055 1.754 3.266 1.00 72.01 C ATOM 800 O GLU A 50 5.236 1.545 2.984 1.00 52.31 O ATOM 801 CB GLU A 50 4.115 1.202 5.717 1.00 71.43 C ATOM 802 CG GLU A 50 3.620 0.365 6.902 1.00 41.12 C ATOM 803 CD GLU A 50 3.991 -1.111 6.794 1.00 64.01 C ATOM 804 OE1 GLU A 50 5.191 -1.439 6.893 1.00 71.40 O ATOM 805 OE2 GLU A 50 3.088 -1.949 6.591 1.00 44.33 O ATOM 0 H GLU A 50 3.927 -1.035 4.649 1.00 64.53 H new ATOM 0 HA GLU A 50 2.334 1.323 4.492 1.00 61.33 H new ATOM 0 HB2 GLU A 50 5.172 0.989 5.558 1.00 71.43 H new ATOM 0 HB3 GLU A 50 4.038 2.257 5.979 1.00 71.43 H new ATOM 0 HG2 GLU A 50 4.037 0.771 7.824 1.00 41.12 H new ATOM 0 HG3 GLU A 50 2.536 0.456 6.975 1.00 41.12 H new ATOM 812 N LEU A 51 3.312 2.642 2.611 1.00 33.44 N ATOM 813 CA LEU A 51 3.872 3.503 1.561 1.00 73.32 C ATOM 814 C LEU A 51 3.864 4.982 1.986 1.00 24.45 C ATOM 815 O LEU A 51 2.808 5.567 2.231 1.00 12.42 O ATOM 816 CB LEU A 51 3.099 3.333 0.237 1.00 13.40 C ATOM 817 CG LEU A 51 3.500 2.127 -0.640 1.00 65.11 C ATOM 818 CD1 LEU A 51 3.229 0.803 0.061 1.00 52.02 C ATOM 819 CD2 LEU A 51 2.772 2.174 -1.979 1.00 32.21 C ATOM 0 H LEU A 51 2.318 2.788 2.786 1.00 33.44 H new ATOM 0 HA LEU A 51 4.906 3.195 1.406 1.00 73.32 H new ATOM 0 HB2 LEU A 51 2.037 3.249 0.469 1.00 13.40 H new ATOM 0 HB3 LEU A 51 3.226 4.241 -0.352 1.00 13.40 H new ATOM 0 HG LEU A 51 4.574 2.195 -0.816 1.00 65.11 H new ATOM 0 HD11 LEU A 51 3.525 -0.020 -0.589 1.00 52.02 H new ATOM 0 HD12 LEU A 51 3.802 0.758 0.987 1.00 52.02 H new ATOM 0 HD13 LEU A 51 2.166 0.722 0.288 1.00 52.02 H new ATOM 0 HD21 LEU A 51 3.067 1.316 -2.584 1.00 32.21 H new ATOM 0 HD22 LEU A 51 1.696 2.145 -1.809 1.00 32.21 H new ATOM 0 HD23 LEU A 51 3.032 3.094 -2.503 1.00 32.21 H new ATOM 831 N GLU A 52 5.049 5.579 2.078 1.00 71.32 N ATOM 832 CA GLU A 52 5.181 7.005 2.392 1.00 5.32 C ATOM 833 C GLU A 52 6.123 7.703 1.396 1.00 75.30 C ATOM 834 O GLU A 52 7.317 7.399 1.328 1.00 1.42 O ATOM 835 CB GLU A 52 5.674 7.197 3.838 1.00 71.01 C ATOM 836 CG GLU A 52 6.915 6.380 4.194 1.00 23.32 C ATOM 837 CD GLU A 52 7.412 6.652 5.605 1.00 43.14 C ATOM 838 OE1 GLU A 52 6.708 6.288 6.569 1.00 53.34 O ATOM 839 OE2 GLU A 52 8.507 7.234 5.760 1.00 10.24 O ATOM 0 H GLU A 52 5.938 5.098 1.939 1.00 71.32 H new ATOM 0 HA GLU A 52 4.197 7.465 2.301 1.00 5.32 H new ATOM 0 HB2 GLU A 52 5.891 8.253 3.998 1.00 71.01 H new ATOM 0 HB3 GLU A 52 4.869 6.929 4.522 1.00 71.01 H new ATOM 0 HG2 GLU A 52 6.688 5.319 4.091 1.00 23.32 H new ATOM 0 HG3 GLU A 52 7.710 6.606 3.483 1.00 23.32 H new ATOM 846 N PHE A 53 5.570 8.627 0.614 1.00 33.14 N ATOM 847 CA PHE A 53 6.348 9.378 -0.381 1.00 41.22 C ATOM 848 C PHE A 53 6.156 10.890 -0.203 1.00 30.41 C ATOM 849 O PHE A 53 5.195 11.334 0.427 1.00 23.24 O ATOM 850 CB PHE A 53 5.962 8.946 -1.808 1.00 41.32 C ATOM 851 CG PHE A 53 4.503 9.150 -2.149 1.00 40.43 C ATOM 852 CD1 PHE A 53 3.548 8.219 -1.760 1.00 42.32 C ATOM 853 CD2 PHE A 53 4.092 10.266 -2.865 1.00 23.43 C ATOM 854 CE1 PHE A 53 2.215 8.403 -2.075 1.00 31.12 C ATOM 855 CE2 PHE A 53 2.760 10.452 -3.183 1.00 73.41 C ATOM 856 CZ PHE A 53 1.821 9.518 -2.789 1.00 14.32 C ATOM 0 H PHE A 53 4.582 8.878 0.647 1.00 33.14 H new ATOM 0 HA PHE A 53 7.403 9.152 -0.225 1.00 41.22 H new ATOM 0 HB2 PHE A 53 6.570 9.503 -2.520 1.00 41.32 H new ATOM 0 HB3 PHE A 53 6.208 7.892 -1.935 1.00 41.32 H new ATOM 0 HD1 PHE A 53 3.850 7.343 -1.206 1.00 42.32 H new ATOM 0 HD2 PHE A 53 4.822 10.998 -3.177 1.00 23.43 H new ATOM 0 HE1 PHE A 53 1.481 7.675 -1.763 1.00 31.12 H new ATOM 0 HE2 PHE A 53 2.453 11.326 -3.739 1.00 73.41 H new ATOM 0 HZ PHE A 53 0.780 9.660 -3.039 1.00 14.32 H new ATOM 866 N THR A 54 7.077 11.680 -0.755 1.00 20.44 N ATOM 867 CA THR A 54 7.041 13.143 -0.591 1.00 2.10 C ATOM 868 C THR A 54 6.822 13.880 -1.922 1.00 52.30 C ATOM 869 O THR A 54 7.287 13.446 -2.976 1.00 52.14 O ATOM 870 CB THR A 54 8.343 13.679 0.062 1.00 31.45 C ATOM 871 OG1 THR A 54 9.485 13.350 -0.748 1.00 54.11 O ATOM 872 CG2 THR A 54 8.529 13.111 1.468 1.00 30.31 C ATOM 0 H THR A 54 7.856 11.339 -1.318 1.00 20.44 H new ATOM 0 HA THR A 54 6.193 13.341 0.064 1.00 2.10 H new ATOM 0 HB THR A 54 8.255 14.763 0.135 1.00 31.45 H new ATOM 0 HG1 THR A 54 10.298 13.696 -0.324 1.00 54.11 H new ATOM 0 HG21 THR A 54 9.449 13.504 1.900 1.00 30.31 H new ATOM 0 HG22 THR A 54 7.683 13.399 2.092 1.00 30.31 H new ATOM 0 HG23 THR A 54 8.588 12.024 1.416 1.00 30.31 H new ATOM 880 N ALA A 55 6.103 15.002 -1.858 1.00 1.21 N ATOM 881 CA ALA A 55 5.872 15.864 -3.028 1.00 35.44 C ATOM 882 C ALA A 55 6.102 17.344 -2.678 1.00 31.21 C ATOM 883 O ALA A 55 6.137 17.714 -1.504 1.00 11.53 O ATOM 884 CB ALA A 55 4.459 15.659 -3.560 1.00 30.31 C ATOM 0 H ALA A 55 5.665 15.341 -1.001 1.00 1.21 H new ATOM 0 HA ALA A 55 6.586 15.586 -3.803 1.00 35.44 H new ATOM 0 HB1 ALA A 55 4.299 16.302 -4.426 1.00 30.31 H new ATOM 0 HB2 ALA A 55 4.328 14.617 -3.853 1.00 30.31 H new ATOM 0 HB3 ALA A 55 3.737 15.911 -2.783 1.00 30.31 H new ATOM 890 N GLN A 56 6.265 18.189 -3.695 1.00 25.34 N ATOM 891 CA GLN A 56 6.500 19.629 -3.484 1.00 62.40 C ATOM 892 C GLN A 56 5.187 20.428 -3.462 1.00 11.45 C ATOM 893 O GLN A 56 5.179 21.620 -3.149 1.00 65.12 O ATOM 894 CB GLN A 56 7.425 20.192 -4.576 1.00 14.24 C ATOM 895 CG GLN A 56 8.894 19.803 -4.426 1.00 32.53 C ATOM 896 CD GLN A 56 9.152 18.313 -4.583 1.00 40.15 C ATOM 897 OE1 GLN A 56 9.372 17.822 -5.686 1.00 5.54 O ATOM 898 NE2 GLN A 56 9.140 17.584 -3.485 1.00 21.40 N ATOM 0 H GLN A 56 6.240 17.908 -4.675 1.00 25.34 H new ATOM 0 HA GLN A 56 6.978 19.735 -2.510 1.00 62.40 H new ATOM 0 HB2 GLN A 56 7.069 19.849 -5.548 1.00 14.24 H new ATOM 0 HB3 GLN A 56 7.348 21.279 -4.574 1.00 14.24 H new ATOM 0 HG2 GLN A 56 9.481 20.344 -5.168 1.00 32.53 H new ATOM 0 HG3 GLN A 56 9.247 20.122 -3.445 1.00 32.53 H new ATOM 0 HE21 GLN A 56 8.954 18.023 -2.583 1.00 21.40 H new ATOM 0 HE22 GLN A 56 9.317 16.581 -3.537 1.00 21.40 H new ATOM 907 N LYS A 57 4.086 19.764 -3.794 1.00 13.10 N ATOM 908 CA LYS A 57 2.769 20.410 -3.867 1.00 30.10 C ATOM 909 C LYS A 57 1.655 19.454 -3.422 1.00 71.45 C ATOM 910 O LYS A 57 1.889 18.255 -3.240 1.00 22.24 O ATOM 911 CB LYS A 57 2.500 20.876 -5.307 1.00 74.01 C ATOM 912 CG LYS A 57 2.584 19.746 -6.335 1.00 42.32 C ATOM 913 CD LYS A 57 2.279 20.226 -7.752 1.00 20.21 C ATOM 914 CE LYS A 57 0.823 20.644 -7.911 1.00 33.54 C ATOM 915 NZ LYS A 57 0.531 21.115 -9.291 1.00 42.25 N ATOM 0 H LYS A 57 4.074 18.769 -4.020 1.00 13.10 H new ATOM 0 HA LYS A 57 2.774 21.267 -3.194 1.00 30.10 H new ATOM 0 HB2 LYS A 57 1.510 21.329 -5.356 1.00 74.01 H new ATOM 0 HB3 LYS A 57 3.219 21.652 -5.571 1.00 74.01 H new ATOM 0 HG2 LYS A 57 3.582 19.308 -6.309 1.00 42.32 H new ATOM 0 HG3 LYS A 57 1.883 18.957 -6.062 1.00 42.32 H new ATOM 0 HD2 LYS A 57 2.927 21.068 -7.997 1.00 20.21 H new ATOM 0 HD3 LYS A 57 2.508 19.431 -8.461 1.00 20.21 H new ATOM 0 HE2 LYS A 57 0.175 19.802 -7.670 1.00 33.54 H new ATOM 0 HE3 LYS A 57 0.593 21.437 -7.200 1.00 33.54 H new ATOM 0 HZ1 LYS A 57 -0.470 21.390 -9.359 1.00 42.25 H new ATOM 0 HZ2 LYS A 57 1.132 21.935 -9.512 1.00 42.25 H new ATOM 0 HZ3 LYS A 57 0.726 20.350 -9.968 1.00 42.25 H new ATOM 929 N ASN A 58 0.444 19.983 -3.243 1.00 33.15 N ATOM 930 CA ASN A 58 -0.721 19.141 -2.953 1.00 2.44 C ATOM 931 C ASN A 58 -1.160 18.378 -4.214 1.00 0.23 C ATOM 932 O ASN A 58 -1.074 18.895 -5.330 1.00 41.32 O ATOM 933 CB ASN A 58 -1.881 19.974 -2.381 1.00 2.31 C ATOM 934 CG ASN A 58 -2.252 21.177 -3.235 1.00 50.13 C ATOM 935 OD1 ASN A 58 -2.071 21.189 -4.446 1.00 63.13 O ATOM 936 ND2 ASN A 58 -2.795 22.195 -2.605 1.00 62.44 N ATOM 0 H ASN A 58 0.243 20.982 -3.293 1.00 33.15 H new ATOM 0 HA ASN A 58 -0.433 18.413 -2.194 1.00 2.44 H new ATOM 0 HB2 ASN A 58 -2.756 19.334 -2.272 1.00 2.31 H new ATOM 0 HB3 ASN A 58 -1.611 20.318 -1.383 1.00 2.31 H new ATOM 0 HD21 ASN A 58 -3.079 23.025 -3.126 1.00 62.44 H new ATOM 0 HD22 ASN A 58 -2.933 22.155 -1.595 1.00 62.44 H new ATOM 943 N LEU A 59 -1.610 17.141 -4.039 1.00 21.03 N ATOM 944 CA LEU A 59 -1.983 16.292 -5.176 1.00 44.34 C ATOM 945 C LEU A 59 -3.507 16.156 -5.298 1.00 13.15 C ATOM 946 O LEU A 59 -4.141 16.845 -6.097 1.00 10.42 O ATOM 947 CB LEU A 59 -1.331 14.905 -5.039 1.00 42.40 C ATOM 948 CG LEU A 59 0.196 14.913 -4.840 1.00 72.55 C ATOM 949 CD1 LEU A 59 0.741 13.487 -4.742 1.00 62.21 C ATOM 950 CD2 LEU A 59 0.887 15.691 -5.962 1.00 40.32 C ATOM 0 H LEU A 59 -1.727 16.700 -3.127 1.00 21.03 H new ATOM 0 HA LEU A 59 -1.618 16.769 -6.086 1.00 44.34 H new ATOM 0 HB2 LEU A 59 -1.788 14.388 -4.195 1.00 42.40 H new ATOM 0 HB3 LEU A 59 -1.562 14.323 -5.932 1.00 42.40 H new ATOM 0 HG LEU A 59 0.413 15.419 -3.899 1.00 72.55 H new ATOM 0 HD11 LEU A 59 1.821 13.519 -4.602 1.00 62.21 H new ATOM 0 HD12 LEU A 59 0.280 12.979 -3.895 1.00 62.21 H new ATOM 0 HD13 LEU A 59 0.510 12.945 -5.659 1.00 62.21 H new ATOM 0 HD21 LEU A 59 1.965 15.683 -5.800 1.00 40.32 H new ATOM 0 HD22 LEU A 59 0.661 15.225 -6.921 1.00 40.32 H new ATOM 0 HD23 LEU A 59 0.528 16.720 -5.965 1.00 40.32 H new ATOM 962 N ARG A 60 -4.086 15.277 -4.484 1.00 12.13 N ATOM 963 CA ARG A 60 -5.527 14.994 -4.521 1.00 63.44 C ATOM 964 C ARG A 60 -6.036 14.543 -3.147 1.00 22.44 C ATOM 965 O ARG A 60 -5.258 14.360 -2.215 1.00 64.42 O ATOM 966 CB ARG A 60 -5.831 13.893 -5.560 1.00 74.55 C ATOM 967 CG ARG A 60 -5.706 14.343 -7.012 1.00 22.54 C ATOM 968 CD ARG A 60 -6.807 15.327 -7.395 1.00 33.13 C ATOM 969 NE ARG A 60 -6.565 15.943 -8.696 1.00 61.03 N ATOM 970 CZ ARG A 60 -6.929 15.436 -9.839 1.00 32.24 C ATOM 971 NH1 ARG A 60 -7.531 14.287 -9.901 1.00 51.40 N ATOM 972 NH2 ARG A 60 -6.676 16.083 -10.927 1.00 62.13 N ATOM 0 H ARG A 60 -3.577 14.741 -3.782 1.00 12.13 H new ATOM 0 HA ARG A 60 -6.038 15.915 -4.802 1.00 63.44 H new ATOM 0 HB2 ARG A 60 -5.153 13.056 -5.393 1.00 74.55 H new ATOM 0 HB3 ARG A 60 -6.843 13.523 -5.393 1.00 74.55 H new ATOM 0 HG2 ARG A 60 -4.732 14.808 -7.166 1.00 22.54 H new ATOM 0 HG3 ARG A 60 -5.751 13.473 -7.668 1.00 22.54 H new ATOM 0 HD2 ARG A 60 -7.766 14.809 -7.413 1.00 33.13 H new ATOM 0 HD3 ARG A 60 -6.879 16.104 -6.634 1.00 33.13 H new ATOM 0 HE ARG A 60 -6.074 16.837 -8.711 1.00 61.03 H new ATOM 0 HH11 ARG A 60 -7.726 13.767 -9.046 1.00 51.40 H new ATOM 0 HH12 ARG A 60 -7.809 13.905 -10.805 1.00 51.40 H new ATOM 0 HH21 ARG A 60 -6.196 16.982 -10.886 1.00 62.13 H new ATOM 0 HH22 ARG A 60 -6.957 15.695 -11.828 1.00 62.13 H new ATOM 986 N LYS A 61 -7.348 14.381 -3.035 1.00 21.45 N ATOM 987 CA LYS A 61 -7.971 13.761 -1.859 1.00 65.43 C ATOM 988 C LYS A 61 -9.116 12.849 -2.313 1.00 34.14 C ATOM 989 O LYS A 61 -9.854 13.205 -3.232 1.00 71.12 O ATOM 990 CB LYS A 61 -8.494 14.821 -0.875 1.00 12.22 C ATOM 991 CG LYS A 61 -7.408 15.735 -0.304 1.00 74.13 C ATOM 992 CD LYS A 61 -7.950 16.662 0.779 1.00 3.04 C ATOM 993 CE LYS A 61 -8.380 15.894 2.026 1.00 50.34 C ATOM 994 NZ LYS A 61 -7.243 15.178 2.664 1.00 42.40 N ATOM 0 H LYS A 61 -8.014 14.673 -3.751 1.00 21.45 H new ATOM 0 HA LYS A 61 -7.216 13.173 -1.338 1.00 65.43 H new ATOM 0 HB2 LYS A 61 -9.240 15.434 -1.381 1.00 12.22 H new ATOM 0 HB3 LYS A 61 -9.000 14.318 -0.051 1.00 12.22 H new ATOM 0 HG2 LYS A 61 -6.603 15.127 0.109 1.00 74.13 H new ATOM 0 HG3 LYS A 61 -6.976 16.331 -1.108 1.00 74.13 H new ATOM 0 HD2 LYS A 61 -7.186 17.391 1.048 1.00 3.04 H new ATOM 0 HD3 LYS A 61 -8.800 17.221 0.386 1.00 3.04 H new ATOM 0 HE2 LYS A 61 -8.820 16.587 2.744 1.00 50.34 H new ATOM 0 HE3 LYS A 61 -9.156 15.176 1.759 1.00 50.34 H new ATOM 0 HZ1 LYS A 61 -7.222 15.396 3.681 1.00 42.40 H new ATOM 0 HZ2 LYS A 61 -7.361 14.153 2.533 1.00 42.40 H new ATOM 0 HZ3 LYS A 61 -6.351 15.483 2.226 1.00 42.40 H new ATOM 1008 N GLU A 62 -9.233 11.666 -1.702 1.00 33.10 N ATOM 1009 CA GLU A 62 -10.250 10.664 -2.089 1.00 4.30 C ATOM 1010 C GLU A 62 -9.891 9.955 -3.414 1.00 33.42 C ATOM 1011 O GLU A 62 -10.142 8.758 -3.570 1.00 10.41 O ATOM 1012 CB GLU A 62 -11.647 11.308 -2.183 1.00 53.44 C ATOM 1013 CG GLU A 62 -12.744 10.367 -2.677 1.00 74.23 C ATOM 1014 CD GLU A 62 -14.114 11.028 -2.700 1.00 42.41 C ATOM 1015 OE1 GLU A 62 -14.447 11.698 -3.707 1.00 71.44 O ATOM 1016 OE2 GLU A 62 -14.858 10.892 -1.705 1.00 64.34 O ATOM 0 H GLU A 62 -8.634 11.371 -0.931 1.00 33.10 H new ATOM 0 HA GLU A 62 -10.266 9.906 -1.306 1.00 4.30 H new ATOM 0 HB2 GLU A 62 -11.926 11.687 -1.200 1.00 53.44 H new ATOM 0 HB3 GLU A 62 -11.593 12.167 -2.852 1.00 53.44 H new ATOM 0 HG2 GLU A 62 -12.495 10.019 -3.680 1.00 74.23 H new ATOM 0 HG3 GLU A 62 -12.780 9.487 -2.034 1.00 74.23 H new ATOM 1023 N ALA A 63 -9.298 10.692 -4.358 1.00 35.21 N ATOM 1024 CA ALA A 63 -8.895 10.126 -5.654 1.00 4.22 C ATOM 1025 C ALA A 63 -7.722 9.143 -5.504 1.00 4.22 C ATOM 1026 O ALA A 63 -6.956 9.213 -4.538 1.00 10.14 O ATOM 1027 CB ALA A 63 -8.532 11.249 -6.624 1.00 1.34 C ATOM 0 H ALA A 63 -9.085 11.684 -4.251 1.00 35.21 H new ATOM 0 HA ALA A 63 -9.740 9.566 -6.054 1.00 4.22 H new ATOM 0 HB1 ALA A 63 -8.235 10.821 -7.581 1.00 1.34 H new ATOM 0 HB2 ALA A 63 -9.396 11.898 -6.769 1.00 1.34 H new ATOM 0 HB3 ALA A 63 -7.706 11.831 -6.215 1.00 1.34 H new ATOM 1033 N PHE A 64 -7.581 8.233 -6.468 1.00 32.41 N ATOM 1034 CA PHE A 64 -6.564 7.177 -6.393 1.00 10.25 C ATOM 1035 C PHE A 64 -5.237 7.615 -7.026 1.00 54.20 C ATOM 1036 O PHE A 64 -5.163 8.622 -7.732 1.00 45.45 O ATOM 1037 CB PHE A 64 -7.080 5.900 -7.067 1.00 32.50 C ATOM 1038 CG PHE A 64 -8.297 5.315 -6.391 1.00 72.23 C ATOM 1039 CD1 PHE A 64 -9.572 5.752 -6.721 1.00 2.21 C ATOM 1040 CD2 PHE A 64 -8.161 4.334 -5.419 1.00 73.33 C ATOM 1041 CE1 PHE A 64 -10.685 5.220 -6.098 1.00 34.53 C ATOM 1042 CE2 PHE A 64 -9.272 3.799 -4.792 1.00 31.22 C ATOM 1043 CZ PHE A 64 -10.536 4.243 -5.132 1.00 20.33 C ATOM 0 H PHE A 64 -8.156 8.203 -7.310 1.00 32.41 H new ATOM 0 HA PHE A 64 -6.372 6.976 -5.339 1.00 10.25 H new ATOM 0 HB2 PHE A 64 -7.321 6.119 -8.107 1.00 32.50 H new ATOM 0 HB3 PHE A 64 -6.284 5.155 -7.075 1.00 32.50 H new ATOM 0 HD1 PHE A 64 -9.696 6.517 -7.473 1.00 2.21 H new ATOM 0 HD2 PHE A 64 -7.176 3.984 -5.149 1.00 73.33 H new ATOM 0 HE1 PHE A 64 -11.672 5.568 -6.366 1.00 34.53 H new ATOM 0 HE2 PHE A 64 -9.152 3.035 -4.038 1.00 31.22 H new ATOM 0 HZ PHE A 64 -11.405 3.827 -4.644 1.00 20.33 H new ATOM 1053 N LEU A 65 -4.188 6.845 -6.769 1.00 45.51 N ATOM 1054 CA LEU A 65 -2.849 7.180 -7.243 1.00 24.44 C ATOM 1055 C LEU A 65 -1.990 5.905 -7.370 1.00 2.40 C ATOM 1056 O LEU A 65 -1.886 5.116 -6.430 1.00 64.23 O ATOM 1057 CB LEU A 65 -2.214 8.197 -6.267 1.00 35.22 C ATOM 1058 CG LEU A 65 -1.118 9.113 -6.849 1.00 44.34 C ATOM 1059 CD1 LEU A 65 -0.829 10.277 -5.905 1.00 14.03 C ATOM 1060 CD2 LEU A 65 0.161 8.332 -7.120 1.00 13.23 C ATOM 0 H LEU A 65 -4.238 5.979 -6.232 1.00 45.51 H new ATOM 0 HA LEU A 65 -2.906 7.631 -8.233 1.00 24.44 H new ATOM 0 HB2 LEU A 65 -3.008 8.827 -5.865 1.00 35.22 H new ATOM 0 HB3 LEU A 65 -1.789 7.646 -5.428 1.00 35.22 H new ATOM 0 HG LEU A 65 -1.486 9.511 -7.795 1.00 44.34 H new ATOM 0 HD11 LEU A 65 -0.053 10.910 -6.335 1.00 14.03 H new ATOM 0 HD12 LEU A 65 -1.737 10.863 -5.761 1.00 14.03 H new ATOM 0 HD13 LEU A 65 -0.490 9.890 -4.944 1.00 14.03 H new ATOM 0 HD21 LEU A 65 0.917 9.002 -7.530 1.00 13.23 H new ATOM 0 HD22 LEU A 65 0.527 7.899 -6.189 1.00 13.23 H new ATOM 0 HD23 LEU A 65 -0.044 7.535 -7.835 1.00 13.23 H new ATOM 1072 N ARG A 66 -1.402 5.700 -8.548 1.00 21.34 N ATOM 1073 CA ARG A 66 -0.511 4.560 -8.793 1.00 3.12 C ATOM 1074 C ARG A 66 0.891 4.845 -8.241 1.00 24.23 C ATOM 1075 O ARG A 66 1.704 5.504 -8.893 1.00 64.14 O ATOM 1076 CB ARG A 66 -0.400 4.271 -10.301 1.00 54.03 C ATOM 1077 CG ARG A 66 -1.737 4.161 -11.028 1.00 0.31 C ATOM 1078 CD ARG A 66 -1.543 3.895 -12.522 1.00 72.42 C ATOM 1079 NE ARG A 66 -0.996 2.563 -12.784 1.00 42.30 N ATOM 1080 CZ ARG A 66 0.027 2.318 -13.563 1.00 44.11 C ATOM 1081 NH1 ARG A 66 0.664 3.277 -14.154 1.00 20.21 N ATOM 1082 NH2 ARG A 66 0.413 1.099 -13.749 1.00 43.11 N ATOM 0 H ARG A 66 -1.526 6.312 -9.355 1.00 21.34 H new ATOM 0 HA ARG A 66 -0.935 3.693 -8.287 1.00 3.12 H new ATOM 0 HB2 ARG A 66 0.188 5.062 -10.767 1.00 54.03 H new ATOM 0 HB3 ARG A 66 0.151 3.341 -10.440 1.00 54.03 H new ATOM 0 HG2 ARG A 66 -2.327 3.357 -10.588 1.00 0.31 H new ATOM 0 HG3 ARG A 66 -2.303 5.082 -10.892 1.00 0.31 H new ATOM 0 HD2 ARG A 66 -2.499 3.999 -13.034 1.00 72.42 H new ATOM 0 HD3 ARG A 66 -0.874 4.648 -12.939 1.00 72.42 H new ATOM 0 HE ARG A 66 -1.444 1.769 -12.327 1.00 42.30 H new ATOM 0 HH11 ARG A 66 0.371 4.244 -14.017 1.00 20.21 H new ATOM 0 HH12 ARG A 66 1.459 3.065 -14.757 1.00 20.21 H new ATOM 0 HH21 ARG A 66 -0.079 0.333 -13.290 1.00 43.11 H new ATOM 0 HH22 ARG A 66 1.210 0.903 -14.355 1.00 43.11 H new ATOM 1096 N VAL A 67 1.165 4.372 -7.033 1.00 63.21 N ATOM 1097 CA VAL A 67 2.466 4.597 -6.399 1.00 33.44 C ATOM 1098 C VAL A 67 3.472 3.511 -6.768 1.00 22.13 C ATOM 1099 O VAL A 67 3.260 2.319 -6.517 1.00 44.44 O ATOM 1100 CB VAL A 67 2.338 4.683 -4.860 1.00 32.52 C ATOM 1101 CG1 VAL A 67 3.683 5.014 -4.215 1.00 33.32 C ATOM 1102 CG2 VAL A 67 1.279 5.710 -4.464 1.00 73.54 C ATOM 0 H VAL A 67 0.509 3.831 -6.470 1.00 63.21 H new ATOM 0 HA VAL A 67 2.833 5.551 -6.776 1.00 33.44 H new ATOM 0 HB VAL A 67 2.022 3.707 -4.493 1.00 32.52 H new ATOM 0 HG11 VAL A 67 3.564 5.068 -3.133 1.00 33.32 H new ATOM 0 HG12 VAL A 67 4.406 4.237 -4.462 1.00 33.32 H new ATOM 0 HG13 VAL A 67 4.040 5.973 -4.589 1.00 33.32 H new ATOM 0 HG21 VAL A 67 1.204 5.755 -3.377 1.00 73.54 H new ATOM 0 HG22 VAL A 67 1.560 6.690 -4.850 1.00 73.54 H new ATOM 0 HG23 VAL A 67 0.315 5.419 -4.882 1.00 73.54 H new ATOM 1112 N TYR A 68 4.572 3.947 -7.367 1.00 63.31 N ATOM 1113 CA TYR A 68 5.627 3.049 -7.813 1.00 23.31 C ATOM 1114 C TYR A 68 6.524 2.617 -6.642 1.00 31.30 C ATOM 1115 O TYR A 68 7.336 3.397 -6.136 1.00 44.54 O ATOM 1116 CB TYR A 68 6.452 3.745 -8.896 1.00 63.05 C ATOM 1117 CG TYR A 68 7.521 2.873 -9.507 1.00 33.23 C ATOM 1118 CD1 TYR A 68 7.183 1.879 -10.411 1.00 21.13 C ATOM 1119 CD2 TYR A 68 8.859 3.047 -9.184 1.00 61.04 C ATOM 1120 CE1 TYR A 68 8.152 1.072 -10.980 1.00 61.01 C ATOM 1121 CE2 TYR A 68 9.837 2.249 -9.746 1.00 42.12 C ATOM 1122 CZ TYR A 68 9.480 1.264 -10.647 1.00 61.34 C ATOM 1123 OH TYR A 68 10.454 0.462 -11.208 1.00 52.11 O ATOM 0 H TYR A 68 4.757 4.932 -7.557 1.00 63.31 H new ATOM 0 HA TYR A 68 5.173 2.147 -8.223 1.00 23.31 H new ATOM 0 HB2 TYR A 68 5.782 4.088 -9.685 1.00 63.05 H new ATOM 0 HB3 TYR A 68 6.921 4.631 -8.468 1.00 63.05 H new ATOM 0 HD1 TYR A 68 6.146 1.732 -10.676 1.00 21.13 H new ATOM 0 HD2 TYR A 68 9.141 3.818 -8.482 1.00 61.04 H new ATOM 0 HE1 TYR A 68 7.873 0.298 -11.679 1.00 61.01 H new ATOM 0 HE2 TYR A 68 10.874 2.394 -9.483 1.00 42.12 H new ATOM 0 HH TYR A 68 11.334 0.730 -10.869 1.00 52.11 H new ATOM 1133 N HIS A 69 6.367 1.368 -6.217 1.00 33.32 N ATOM 1134 CA HIS A 69 7.110 0.839 -5.072 1.00 13.24 C ATOM 1135 C HIS A 69 8.512 0.363 -5.473 1.00 63.14 C ATOM 1136 O HIS A 69 8.660 -0.596 -6.230 1.00 51.21 O ATOM 1137 CB HIS A 69 6.325 -0.312 -4.427 1.00 14.24 C ATOM 1138 CG HIS A 69 6.984 -0.910 -3.211 1.00 72.20 C ATOM 1139 ND1 HIS A 69 7.103 -0.241 -2.008 1.00 70.45 N ATOM 1140 CD2 HIS A 69 7.552 -2.127 -3.013 1.00 23.34 C ATOM 1141 CE1 HIS A 69 7.709 -1.018 -1.131 1.00 43.30 C ATOM 1142 NE2 HIS A 69 7.991 -2.161 -1.713 1.00 12.52 N ATOM 0 H HIS A 69 5.730 0.698 -6.648 1.00 33.32 H new ATOM 0 HA HIS A 69 7.231 1.647 -4.351 1.00 13.24 H new ATOM 0 HB2 HIS A 69 5.336 0.051 -4.148 1.00 14.24 H new ATOM 0 HB3 HIS A 69 6.179 -1.097 -5.169 1.00 14.24 H new ATOM 0 HD2 HIS A 69 7.642 -2.919 -3.741 1.00 23.34 H new ATOM 0 HE1 HIS A 69 7.935 -0.758 -0.107 1.00 43.30 H new ATOM 0 HE2 HIS A 69 8.462 -2.949 -1.269 1.00 12.52 H new ATOM 1151 N SER A 70 9.532 1.042 -4.957 1.00 60.01 N ATOM 1152 CA SER A 70 10.923 0.610 -5.141 1.00 51.02 C ATOM 1153 C SER A 70 11.184 -0.698 -4.382 1.00 20.22 C ATOM 1154 O SER A 70 10.323 -1.166 -3.632 1.00 51.23 O ATOM 1155 CB SER A 70 11.889 1.698 -4.648 1.00 44.34 C ATOM 1156 OG SER A 70 11.627 2.943 -5.279 1.00 21.31 O ATOM 0 H SER A 70 9.426 1.895 -4.407 1.00 60.01 H new ATOM 0 HA SER A 70 11.091 0.440 -6.205 1.00 51.02 H new ATOM 0 HB2 SER A 70 11.796 1.808 -3.568 1.00 44.34 H new ATOM 0 HB3 SER A 70 12.916 1.394 -4.850 1.00 44.34 H new ATOM 0 HG SER A 70 12.255 3.617 -4.945 1.00 21.31 H new ATOM 1162 N ASP A 71 12.371 -1.278 -4.565 1.00 12.24 N ATOM 1163 CA ASP A 71 12.714 -2.557 -3.931 1.00 52.33 C ATOM 1164 C ASP A 71 12.435 -2.544 -2.414 1.00 43.11 C ATOM 1165 O ASP A 71 11.923 -3.519 -1.858 1.00 54.13 O ATOM 1166 CB ASP A 71 14.185 -2.897 -4.204 1.00 65.04 C ATOM 1167 CG ASP A 71 14.595 -4.235 -3.610 1.00 63.34 C ATOM 1168 OD1 ASP A 71 14.092 -5.279 -4.075 1.00 44.52 O ATOM 1169 OD2 ASP A 71 15.416 -4.256 -2.670 1.00 40.51 O ATOM 0 H ASP A 71 13.112 -0.885 -5.146 1.00 12.24 H new ATOM 0 HA ASP A 71 12.078 -3.326 -4.368 1.00 52.33 H new ATOM 0 HB2 ASP A 71 14.357 -2.913 -5.280 1.00 65.04 H new ATOM 0 HB3 ASP A 71 14.818 -2.111 -3.792 1.00 65.04 H new ATOM 1174 N LYS A 72 12.787 -1.442 -1.750 1.00 10.32 N ATOM 1175 CA LYS A 72 12.530 -1.290 -0.309 1.00 42.52 C ATOM 1176 C LYS A 72 11.452 -0.227 -0.020 1.00 12.32 C ATOM 1177 O LYS A 72 10.322 -0.550 0.355 1.00 43.14 O ATOM 1178 CB LYS A 72 13.825 -0.920 0.428 1.00 64.12 C ATOM 1179 CG LYS A 72 14.958 -1.924 0.243 1.00 63.31 C ATOM 1180 CD LYS A 72 16.164 -1.564 1.106 1.00 51.12 C ATOM 1181 CE LYS A 72 17.304 -2.558 0.938 1.00 64.44 C ATOM 1182 NZ LYS A 72 18.440 -2.246 1.843 1.00 11.10 N ATOM 0 H LYS A 72 13.249 -0.642 -2.181 1.00 10.32 H new ATOM 0 HA LYS A 72 12.160 -2.250 0.052 1.00 42.52 H new ATOM 0 HB2 LYS A 72 14.161 0.057 0.081 1.00 64.12 H new ATOM 0 HB3 LYS A 72 13.610 -0.824 1.492 1.00 64.12 H new ATOM 0 HG2 LYS A 72 14.608 -2.923 0.503 1.00 63.31 H new ATOM 0 HG3 LYS A 72 15.254 -1.952 -0.806 1.00 63.31 H new ATOM 0 HD2 LYS A 72 16.512 -0.565 0.843 1.00 51.12 H new ATOM 0 HD3 LYS A 72 15.863 -1.531 2.153 1.00 51.12 H new ATOM 0 HE2 LYS A 72 16.942 -3.566 1.142 1.00 64.44 H new ATOM 0 HE3 LYS A 72 17.648 -2.546 -0.096 1.00 64.44 H new ATOM 0 HZ1 LYS A 72 19.198 -2.943 1.701 1.00 11.10 H new ATOM 0 HZ2 LYS A 72 18.801 -1.294 1.631 1.00 11.10 H new ATOM 0 HZ3 LYS A 72 18.117 -2.282 2.831 1.00 11.10 H new ATOM 1196 N LYS A 73 11.812 1.045 -0.209 1.00 63.54 N ATOM 1197 CA LYS A 73 10.949 2.173 0.175 1.00 34.44 C ATOM 1198 C LYS A 73 11.295 3.441 -0.635 1.00 54.54 C ATOM 1199 O LYS A 73 11.833 3.348 -1.738 1.00 13.35 O ATOM 1200 CB LYS A 73 11.105 2.434 1.685 1.00 62.33 C ATOM 1201 CG LYS A 73 12.531 2.792 2.106 1.00 54.13 C ATOM 1202 CD LYS A 73 12.670 2.937 3.623 1.00 74.12 C ATOM 1203 CE LYS A 73 12.420 1.619 4.351 1.00 24.25 C ATOM 1204 NZ LYS A 73 12.673 1.728 5.813 1.00 51.25 N ATOM 0 H LYS A 73 12.699 1.324 -0.628 1.00 63.54 H new ATOM 0 HA LYS A 73 9.913 1.918 -0.046 1.00 34.44 H new ATOM 0 HB2 LYS A 73 10.436 3.244 1.975 1.00 62.33 H new ATOM 0 HB3 LYS A 73 10.787 1.547 2.232 1.00 62.33 H new ATOM 0 HG2 LYS A 73 13.216 2.021 1.753 1.00 54.13 H new ATOM 0 HG3 LYS A 73 12.826 3.725 1.626 1.00 54.13 H new ATOM 0 HD2 LYS A 73 13.670 3.299 3.862 1.00 74.12 H new ATOM 0 HD3 LYS A 73 11.966 3.688 3.981 1.00 74.12 H new ATOM 0 HE2 LYS A 73 11.390 1.304 4.185 1.00 24.25 H new ATOM 0 HE3 LYS A 73 13.062 0.846 3.930 1.00 24.25 H new ATOM 0 HZ1 LYS A 73 12.491 0.810 6.266 1.00 51.25 H new ATOM 0 HZ2 LYS A 73 13.663 2.003 5.974 1.00 51.25 H new ATOM 0 HZ3 LYS A 73 12.043 2.447 6.222 1.00 51.25 H new ATOM 1218 N GLY A 74 10.972 4.618 -0.089 1.00 33.12 N ATOM 1219 CA GLY A 74 11.308 5.887 -0.745 1.00 2.04 C ATOM 1220 C GLY A 74 10.372 6.273 -1.896 1.00 55.25 C ATOM 1221 O GLY A 74 9.905 7.415 -1.958 1.00 64.12 O ATOM 0 H GLY A 74 10.482 4.719 0.800 1.00 33.12 H new ATOM 0 HA2 GLY A 74 11.294 6.682 0.001 1.00 2.04 H new ATOM 0 HA3 GLY A 74 12.327 5.826 -1.127 1.00 2.04 H new ATOM 1225 N VAL A 75 10.111 5.325 -2.804 1.00 73.11 N ATOM 1226 CA VAL A 75 9.228 5.544 -3.964 1.00 4.34 C ATOM 1227 C VAL A 75 9.889 6.447 -5.025 1.00 20.02 C ATOM 1228 O VAL A 75 10.141 7.632 -4.794 1.00 44.21 O ATOM 1229 CB VAL A 75 7.848 6.130 -3.549 1.00 14.41 C ATOM 1230 CG1 VAL A 75 6.985 6.428 -4.775 1.00 15.21 C ATOM 1231 CG2 VAL A 75 7.123 5.181 -2.592 1.00 44.15 C ATOM 0 H VAL A 75 10.504 4.385 -2.759 1.00 73.11 H new ATOM 0 HA VAL A 75 9.058 4.562 -4.405 1.00 4.34 H new ATOM 0 HB VAL A 75 8.025 7.071 -3.029 1.00 14.41 H new ATOM 0 HG11 VAL A 75 6.027 6.836 -4.455 1.00 15.21 H new ATOM 0 HG12 VAL A 75 7.494 7.152 -5.411 1.00 15.21 H new ATOM 0 HG13 VAL A 75 6.818 5.508 -5.335 1.00 15.21 H new ATOM 0 HG21 VAL A 75 6.160 5.610 -2.314 1.00 44.15 H new ATOM 0 HG22 VAL A 75 6.964 4.221 -3.083 1.00 44.15 H new ATOM 0 HG23 VAL A 75 7.727 5.036 -1.697 1.00 44.15 H new ATOM 1241 N SER A 76 10.161 5.873 -6.196 1.00 12.22 N ATOM 1242 CA SER A 76 10.837 6.600 -7.282 1.00 1.12 C ATOM 1243 C SER A 76 9.853 7.389 -8.164 1.00 12.31 C ATOM 1244 O SER A 76 10.218 8.416 -8.740 1.00 20.21 O ATOM 1245 CB SER A 76 11.642 5.626 -8.159 1.00 20.32 C ATOM 1246 OG SER A 76 12.283 6.302 -9.236 1.00 10.53 O ATOM 0 H SER A 76 9.926 4.907 -6.422 1.00 12.22 H new ATOM 0 HA SER A 76 11.508 7.317 -6.809 1.00 1.12 H new ATOM 0 HB2 SER A 76 12.390 5.119 -7.549 1.00 20.32 H new ATOM 0 HB3 SER A 76 10.978 4.857 -8.554 1.00 20.32 H new ATOM 0 HG SER A 76 12.787 5.656 -9.774 1.00 10.53 H new ATOM 1252 N ALA A 77 8.609 6.919 -8.275 1.00 4.54 N ATOM 1253 CA ALA A 77 7.622 7.568 -9.152 1.00 72.54 C ATOM 1254 C ALA A 77 6.181 7.356 -8.666 1.00 13.55 C ATOM 1255 O ALA A 77 5.919 6.518 -7.802 1.00 55.14 O ATOM 1256 CB ALA A 77 7.773 7.057 -10.581 1.00 30.20 C ATOM 0 H ALA A 77 8.260 6.101 -7.776 1.00 4.54 H new ATOM 0 HA ALA A 77 7.820 8.640 -9.123 1.00 72.54 H new ATOM 0 HB1 ALA A 77 7.037 7.544 -11.221 1.00 30.20 H new ATOM 0 HB2 ALA A 77 8.776 7.282 -10.944 1.00 30.20 H new ATOM 0 HB3 ALA A 77 7.614 5.979 -10.601 1.00 30.20 H new ATOM 1262 N TRP A 78 5.251 8.120 -9.233 1.00 11.43 N ATOM 1263 CA TRP A 78 3.829 8.016 -8.878 1.00 74.13 C ATOM 1264 C TRP A 78 2.926 8.665 -9.950 1.00 13.11 C ATOM 1265 O TRP A 78 3.264 9.704 -10.515 1.00 73.45 O ATOM 1266 CB TRP A 78 3.579 8.641 -7.490 1.00 25.04 C ATOM 1267 CG TRP A 78 4.233 9.981 -7.283 1.00 51.21 C ATOM 1268 CD1 TRP A 78 5.478 10.211 -6.761 1.00 4.01 C ATOM 1269 CD2 TRP A 78 3.680 11.271 -7.579 1.00 24.31 C ATOM 1270 NE1 TRP A 78 5.732 11.557 -6.722 1.00 44.42 N ATOM 1271 CE2 TRP A 78 4.645 12.229 -7.216 1.00 22.31 C ATOM 1272 CE3 TRP A 78 2.462 11.710 -8.116 1.00 53.52 C ATOM 1273 CZ2 TRP A 78 4.435 13.597 -7.371 1.00 60.43 C ATOM 1274 CZ3 TRP A 78 2.256 13.069 -8.269 1.00 5.12 C ATOM 1275 CH2 TRP A 78 3.239 13.999 -7.898 1.00 55.15 C ATOM 0 H TRP A 78 5.453 8.823 -9.944 1.00 11.43 H new ATOM 0 HA TRP A 78 3.568 6.959 -8.836 1.00 74.13 H new ATOM 0 HB2 TRP A 78 2.504 8.748 -7.342 1.00 25.04 H new ATOM 0 HB3 TRP A 78 3.939 7.953 -6.725 1.00 25.04 H new ATOM 0 HD1 TRP A 78 6.161 9.443 -6.428 1.00 4.01 H new ATOM 0 HE1 TRP A 78 6.591 11.989 -6.381 1.00 44.42 H new ATOM 0 HE3 TRP A 78 1.700 11.001 -8.404 1.00 53.52 H new ATOM 0 HZ2 TRP A 78 5.190 14.315 -7.085 1.00 60.43 H new ATOM 0 HZ3 TRP A 78 1.322 13.421 -8.681 1.00 5.12 H new ATOM 0 HH2 TRP A 78 3.047 15.053 -8.031 1.00 55.15 H new ATOM 1286 N GLU A 79 1.783 8.033 -10.232 1.00 12.25 N ATOM 1287 CA GLU A 79 0.829 8.529 -11.245 1.00 71.44 C ATOM 1288 C GLU A 79 -0.573 8.711 -10.646 1.00 23.10 C ATOM 1289 O GLU A 79 -1.007 7.906 -9.835 1.00 24.31 O ATOM 1290 CB GLU A 79 0.737 7.545 -12.416 1.00 42.54 C ATOM 1291 CG GLU A 79 2.059 7.275 -13.123 1.00 13.21 C ATOM 1292 CD GLU A 79 1.924 6.217 -14.204 1.00 21.21 C ATOM 1293 OE1 GLU A 79 1.061 6.378 -15.092 1.00 12.31 O ATOM 1294 OE2 GLU A 79 2.653 5.210 -14.158 1.00 2.44 O ATOM 0 H GLU A 79 1.489 7.171 -9.773 1.00 12.25 H new ATOM 0 HA GLU A 79 1.196 9.494 -11.595 1.00 71.44 H new ATOM 0 HB2 GLU A 79 0.337 6.600 -12.049 1.00 42.54 H new ATOM 0 HB3 GLU A 79 0.023 7.932 -13.143 1.00 42.54 H new ATOM 0 HG2 GLU A 79 2.428 8.200 -13.566 1.00 13.21 H new ATOM 0 HG3 GLU A 79 2.801 6.953 -12.392 1.00 13.21 H new ATOM 1301 N GLU A 80 -1.298 9.733 -11.081 1.00 40.02 N ATOM 1302 CA GLU A 80 -2.624 10.037 -10.515 1.00 54.13 C ATOM 1303 C GLU A 80 -3.762 9.484 -11.396 1.00 42.44 C ATOM 1304 O GLU A 80 -3.776 9.680 -12.617 1.00 41.55 O ATOM 1305 CB GLU A 80 -2.763 11.556 -10.313 1.00 73.52 C ATOM 1306 CG GLU A 80 -4.081 11.998 -9.671 1.00 50.24 C ATOM 1307 CD GLU A 80 -5.173 12.303 -10.690 1.00 54.33 C ATOM 1308 OE1 GLU A 80 -4.984 13.235 -11.500 1.00 34.02 O ATOM 1309 OE2 GLU A 80 -6.225 11.628 -10.683 1.00 21.23 O ATOM 0 H GLU A 80 -1.000 10.369 -11.821 1.00 40.02 H new ATOM 0 HA GLU A 80 -2.708 9.542 -9.548 1.00 54.13 H new ATOM 0 HB2 GLU A 80 -1.938 11.903 -9.692 1.00 73.52 H new ATOM 0 HB3 GLU A 80 -2.663 12.048 -11.280 1.00 73.52 H new ATOM 0 HG2 GLU A 80 -4.430 11.215 -8.997 1.00 50.24 H new ATOM 0 HG3 GLU A 80 -3.902 12.885 -9.063 1.00 50.24 H new ATOM 1316 N VAL A 81 -4.719 8.788 -10.763 1.00 53.34 N ATOM 1317 CA VAL A 81 -5.837 8.144 -11.476 1.00 35.21 C ATOM 1318 C VAL A 81 -7.132 8.145 -10.639 1.00 44.53 C ATOM 1319 O VAL A 81 -7.123 7.817 -9.457 1.00 1.40 O ATOM 1320 CB VAL A 81 -5.499 6.673 -11.860 1.00 73.34 C ATOM 1321 CG1 VAL A 81 -4.408 6.610 -12.931 1.00 63.11 C ATOM 1322 CG2 VAL A 81 -5.086 5.871 -10.622 1.00 40.14 C ATOM 0 H VAL A 81 -4.742 8.655 -9.752 1.00 53.34 H new ATOM 0 HA VAL A 81 -5.994 8.732 -12.380 1.00 35.21 H new ATOM 0 HB VAL A 81 -6.401 6.226 -12.278 1.00 73.34 H new ATOM 0 HG11 VAL A 81 -4.197 5.569 -13.175 1.00 63.11 H new ATOM 0 HG12 VAL A 81 -4.747 7.131 -13.826 1.00 63.11 H new ATOM 0 HG13 VAL A 81 -3.502 7.085 -12.556 1.00 63.11 H new ATOM 0 HG21 VAL A 81 -4.854 4.846 -10.913 1.00 40.14 H new ATOM 0 HG22 VAL A 81 -4.206 6.328 -10.170 1.00 40.14 H new ATOM 0 HG23 VAL A 81 -5.904 5.867 -9.901 1.00 40.14 H new ATOM 1332 N LYS A 82 -8.250 8.508 -11.257 1.00 33.24 N ATOM 1333 CA LYS A 82 -9.559 8.438 -10.588 1.00 25.43 C ATOM 1334 C LYS A 82 -10.244 7.094 -10.870 1.00 4.30 C ATOM 1335 O LYS A 82 -9.924 6.424 -11.853 1.00 64.30 O ATOM 1336 CB LYS A 82 -10.463 9.585 -11.058 1.00 40.40 C ATOM 1337 CG LYS A 82 -9.897 10.974 -10.782 1.00 24.52 C ATOM 1338 CD LYS A 82 -10.840 12.073 -11.266 1.00 2.23 C ATOM 1339 CE LYS A 82 -11.113 11.966 -12.764 1.00 51.43 C ATOM 1340 NZ LYS A 82 -12.041 13.023 -13.237 1.00 74.05 N ATOM 0 H LYS A 82 -8.285 8.853 -12.216 1.00 33.24 H new ATOM 0 HA LYS A 82 -9.393 8.530 -9.515 1.00 25.43 H new ATOM 0 HB2 LYS A 82 -10.637 9.481 -12.129 1.00 40.40 H new ATOM 0 HB3 LYS A 82 -11.432 9.495 -10.567 1.00 40.40 H new ATOM 0 HG2 LYS A 82 -9.721 11.090 -9.712 1.00 24.52 H new ATOM 0 HG3 LYS A 82 -8.931 11.079 -11.277 1.00 24.52 H new ATOM 0 HD2 LYS A 82 -11.781 12.011 -10.720 1.00 2.23 H new ATOM 0 HD3 LYS A 82 -10.406 13.048 -11.044 1.00 2.23 H new ATOM 0 HE2 LYS A 82 -10.172 12.039 -13.310 1.00 51.43 H new ATOM 0 HE3 LYS A 82 -11.536 10.986 -12.986 1.00 51.43 H new ATOM 0 HZ1 LYS A 82 -12.199 12.914 -14.259 1.00 74.05 H new ATOM 0 HZ2 LYS A 82 -12.948 12.939 -12.735 1.00 74.05 H new ATOM 0 HZ3 LYS A 82 -11.627 13.958 -13.049 1.00 74.05 H new ATOM 1354 N LYS A 83 -11.203 6.704 -10.022 1.00 41.10 N ATOM 1355 CA LYS A 83 -11.934 5.439 -10.226 1.00 12.04 C ATOM 1356 C LYS A 83 -12.715 5.460 -11.554 1.00 75.14 C ATOM 1357 O LYS A 83 -13.123 4.419 -12.068 1.00 63.33 O ATOM 1358 CB LYS A 83 -12.879 5.139 -9.042 1.00 75.03 C ATOM 1359 CG LYS A 83 -14.238 5.843 -9.088 1.00 65.44 C ATOM 1360 CD LYS A 83 -14.129 7.363 -9.000 1.00 4.44 C ATOM 1361 CE LYS A 83 -15.506 8.022 -9.032 1.00 45.15 C ATOM 1362 NZ LYS A 83 -15.416 9.505 -9.089 1.00 53.52 N ATOM 0 H LYS A 83 -11.491 7.234 -9.199 1.00 41.10 H new ATOM 0 HA LYS A 83 -11.196 4.638 -10.277 1.00 12.04 H new ATOM 0 HB2 LYS A 83 -13.048 4.063 -8.998 1.00 75.03 H new ATOM 0 HB3 LYS A 83 -12.375 5.420 -8.117 1.00 75.03 H new ATOM 0 HG2 LYS A 83 -14.748 5.574 -10.013 1.00 65.44 H new ATOM 0 HG3 LYS A 83 -14.856 5.481 -8.266 1.00 65.44 H new ATOM 0 HD2 LYS A 83 -13.613 7.640 -8.081 1.00 4.44 H new ATOM 0 HD3 LYS A 83 -13.526 7.735 -9.829 1.00 4.44 H new ATOM 0 HE2 LYS A 83 -16.061 7.660 -9.897 1.00 45.15 H new ATOM 0 HE3 LYS A 83 -16.069 7.727 -8.146 1.00 45.15 H new ATOM 0 HZ1 LYS A 83 -16.373 9.910 -9.126 1.00 53.52 H new ATOM 0 HZ2 LYS A 83 -14.925 9.856 -8.242 1.00 53.52 H new ATOM 0 HZ3 LYS A 83 -14.887 9.788 -9.938 1.00 53.52 H new ATOM 1376 N ASP A 84 -12.923 6.664 -12.088 1.00 54.22 N ATOM 1377 CA ASP A 84 -13.536 6.849 -13.405 1.00 4.41 C ATOM 1378 C ASP A 84 -12.595 6.359 -14.518 1.00 42.22 C ATOM 1379 O ASP A 84 -13.031 5.769 -15.508 1.00 23.43 O ATOM 1380 CB ASP A 84 -13.848 8.331 -13.622 1.00 15.31 C ATOM 1381 CG ASP A 84 -14.602 8.940 -12.456 1.00 44.13 C ATOM 1382 OD1 ASP A 84 -13.949 9.440 -11.511 1.00 52.03 O ATOM 1383 OD2 ASP A 84 -15.848 8.925 -12.475 1.00 65.21 O ATOM 0 H ASP A 84 -12.672 7.536 -11.622 1.00 54.22 H new ATOM 0 HA ASP A 84 -14.456 6.266 -13.442 1.00 4.41 H new ATOM 0 HB2 ASP A 84 -12.917 8.877 -13.774 1.00 15.31 H new ATOM 0 HB3 ASP A 84 -14.437 8.446 -14.532 1.00 15.31 H new ATOM 1388 N GLU A 85 -11.300 6.614 -14.335 1.00 51.00 N ATOM 1389 CA GLU A 85 -10.275 6.242 -15.316 1.00 4.43 C ATOM 1390 C GLU A 85 -9.954 4.741 -15.240 1.00 63.20 C ATOM 1391 O GLU A 85 -9.656 4.102 -16.249 1.00 21.14 O ATOM 1392 CB GLU A 85 -8.994 7.054 -15.066 1.00 53.52 C ATOM 1393 CG GLU A 85 -9.217 8.562 -14.954 1.00 52.14 C ATOM 1394 CD GLU A 85 -9.827 9.170 -16.206 1.00 62.04 C ATOM 1395 OE1 GLU A 85 -9.097 9.341 -17.206 1.00 73.12 O ATOM 1396 OE2 GLU A 85 -11.036 9.476 -16.199 1.00 20.14 O ATOM 0 H GLU A 85 -10.931 7.082 -13.507 1.00 51.00 H new ATOM 0 HA GLU A 85 -10.663 6.462 -16.311 1.00 4.43 H new ATOM 0 HB2 GLU A 85 -8.526 6.699 -14.148 1.00 53.52 H new ATOM 0 HB3 GLU A 85 -8.292 6.862 -15.877 1.00 53.52 H new ATOM 0 HG2 GLU A 85 -9.869 8.764 -14.104 1.00 52.14 H new ATOM 0 HG3 GLU A 85 -8.264 9.050 -14.748 1.00 52.14 H new ATOM 1403 N LEU A 86 -10.010 4.195 -14.027 1.00 63.10 N ATOM 1404 CA LEU A 86 -9.709 2.778 -13.787 1.00 15.05 C ATOM 1405 C LEU A 86 -10.803 1.856 -14.358 1.00 22.33 C ATOM 1406 O LEU A 86 -11.980 2.223 -14.406 1.00 51.51 O ATOM 1407 CB LEU A 86 -9.540 2.528 -12.282 1.00 13.22 C ATOM 1408 CG LEU A 86 -8.419 3.340 -11.608 1.00 14.31 C ATOM 1409 CD1 LEU A 86 -8.343 3.025 -10.117 1.00 0.42 C ATOM 1410 CD2 LEU A 86 -7.076 3.081 -12.290 1.00 60.21 C ATOM 0 H LEU A 86 -10.263 4.714 -13.186 1.00 63.10 H new ATOM 0 HA LEU A 86 -8.778 2.543 -14.303 1.00 15.05 H new ATOM 0 HB2 LEU A 86 -10.482 2.755 -11.783 1.00 13.22 H new ATOM 0 HB3 LEU A 86 -9.344 1.467 -12.125 1.00 13.22 H new ATOM 0 HG LEU A 86 -8.654 4.399 -11.717 1.00 14.31 H new ATOM 0 HD11 LEU A 86 -7.544 3.610 -9.662 1.00 0.42 H new ATOM 0 HD12 LEU A 86 -9.292 3.276 -9.643 1.00 0.42 H new ATOM 0 HD13 LEU A 86 -8.139 1.963 -9.979 1.00 0.42 H new ATOM 0 HD21 LEU A 86 -6.299 3.665 -11.797 1.00 60.21 H new ATOM 0 HD22 LEU A 86 -6.832 2.021 -12.221 1.00 60.21 H new ATOM 0 HD23 LEU A 86 -7.138 3.372 -13.339 1.00 60.21 H new ATOM 1422 N PRO A 87 -10.426 0.644 -14.815 1.00 32.50 N ATOM 1423 CA PRO A 87 -11.388 -0.331 -15.361 1.00 22.43 C ATOM 1424 C PRO A 87 -12.380 -0.857 -14.306 1.00 11.12 C ATOM 1425 O PRO A 87 -12.038 -1.005 -13.128 1.00 54.24 O ATOM 1426 CB PRO A 87 -10.490 -1.471 -15.876 1.00 13.02 C ATOM 1427 CG PRO A 87 -9.225 -1.341 -15.095 1.00 43.21 C ATOM 1428 CD PRO A 87 -9.040 0.133 -14.860 1.00 64.50 C ATOM 0 HA PRO A 87 -12.019 0.117 -16.129 1.00 22.43 H new ATOM 0 HB2 PRO A 87 -10.955 -2.444 -15.717 1.00 13.02 H new ATOM 0 HB3 PRO A 87 -10.306 -1.377 -16.946 1.00 13.02 H new ATOM 0 HG2 PRO A 87 -9.290 -1.883 -14.151 1.00 43.21 H new ATOM 0 HG3 PRO A 87 -8.381 -1.759 -15.644 1.00 43.21 H new ATOM 0 HD2 PRO A 87 -8.508 0.329 -13.929 1.00 64.50 H new ATOM 0 HD3 PRO A 87 -8.465 0.599 -15.660 1.00 64.50 H new ATOM 1436 N ALA A 88 -13.605 -1.161 -14.744 1.00 14.21 N ATOM 1437 CA ALA A 88 -14.654 -1.671 -13.852 1.00 22.32 C ATOM 1438 C ALA A 88 -14.191 -2.911 -13.073 1.00 53.13 C ATOM 1439 O ALA A 88 -14.650 -3.161 -11.959 1.00 13.32 O ATOM 1440 CB ALA A 88 -15.909 -1.988 -14.656 1.00 73.43 C ATOM 0 H ALA A 88 -13.897 -1.063 -15.716 1.00 14.21 H new ATOM 0 HA ALA A 88 -14.878 -0.894 -13.121 1.00 22.32 H new ATOM 0 HB1 ALA A 88 -16.683 -2.366 -13.988 1.00 73.43 H new ATOM 0 HB2 ALA A 88 -16.264 -1.083 -15.148 1.00 73.43 H new ATOM 0 HB3 ALA A 88 -15.678 -2.743 -15.408 1.00 73.43 H new ATOM 1446 N LYS A 89 -13.273 -3.676 -13.670 1.00 52.13 N ATOM 1447 CA LYS A 89 -12.697 -4.868 -13.027 1.00 32.33 C ATOM 1448 C LYS A 89 -12.187 -4.571 -11.603 1.00 3.10 C ATOM 1449 O LYS A 89 -12.334 -5.391 -10.696 1.00 44.01 O ATOM 1450 CB LYS A 89 -11.537 -5.416 -13.873 1.00 23.50 C ATOM 1451 CG LYS A 89 -11.920 -5.795 -15.302 1.00 61.24 C ATOM 1452 CD LYS A 89 -10.709 -6.287 -16.093 1.00 34.12 C ATOM 1453 CE LYS A 89 -11.073 -6.670 -17.524 1.00 25.13 C ATOM 1454 NZ LYS A 89 -9.879 -7.119 -18.291 1.00 53.33 N ATOM 0 H LYS A 89 -12.908 -3.492 -14.605 1.00 52.13 H new ATOM 0 HA LYS A 89 -13.493 -5.609 -12.954 1.00 32.33 H new ATOM 0 HB2 LYS A 89 -10.745 -4.668 -13.909 1.00 23.50 H new ATOM 0 HB3 LYS A 89 -11.124 -6.294 -13.376 1.00 23.50 H new ATOM 0 HG2 LYS A 89 -12.683 -6.573 -15.281 1.00 61.24 H new ATOM 0 HG3 LYS A 89 -12.358 -4.932 -15.804 1.00 61.24 H new ATOM 0 HD2 LYS A 89 -9.947 -5.508 -16.110 1.00 34.12 H new ATOM 0 HD3 LYS A 89 -10.273 -7.149 -15.588 1.00 34.12 H new ATOM 0 HE2 LYS A 89 -11.818 -7.466 -17.510 1.00 25.13 H new ATOM 0 HE3 LYS A 89 -11.528 -5.816 -18.025 1.00 25.13 H new ATOM 0 HZ1 LYS A 89 -10.163 -7.371 -19.259 1.00 53.33 H new ATOM 0 HZ2 LYS A 89 -9.179 -6.351 -18.325 1.00 53.33 H new ATOM 0 HZ3 LYS A 89 -9.460 -7.949 -17.826 1.00 53.33 H new ATOM 1468 N VAL A 90 -11.590 -3.393 -11.420 1.00 20.55 N ATOM 1469 CA VAL A 90 -11.026 -2.997 -10.122 1.00 12.23 C ATOM 1470 C VAL A 90 -12.131 -2.743 -9.082 1.00 21.03 C ATOM 1471 O VAL A 90 -12.151 -3.357 -8.010 1.00 32.24 O ATOM 1472 CB VAL A 90 -10.145 -1.727 -10.258 1.00 52.45 C ATOM 1473 CG1 VAL A 90 -9.539 -1.333 -8.911 1.00 12.04 C ATOM 1474 CG2 VAL A 90 -9.052 -1.940 -11.305 1.00 43.21 C ATOM 0 H VAL A 90 -11.483 -2.693 -12.154 1.00 20.55 H new ATOM 0 HA VAL A 90 -10.406 -3.826 -9.780 1.00 12.23 H new ATOM 0 HB VAL A 90 -10.782 -0.907 -10.590 1.00 52.45 H new ATOM 0 HG11 VAL A 90 -8.926 -0.440 -9.035 1.00 12.04 H new ATOM 0 HG12 VAL A 90 -10.338 -1.129 -8.198 1.00 12.04 H new ATOM 0 HG13 VAL A 90 -8.920 -2.149 -8.538 1.00 12.04 H new ATOM 0 HG21 VAL A 90 -8.445 -1.038 -11.386 1.00 43.21 H new ATOM 0 HG22 VAL A 90 -8.421 -2.777 -11.007 1.00 43.21 H new ATOM 0 HG23 VAL A 90 -9.510 -2.157 -12.270 1.00 43.21 H new ATOM 1484 N LYS A 91 -13.059 -1.846 -9.409 1.00 24.14 N ATOM 1485 CA LYS A 91 -14.158 -1.511 -8.492 1.00 62.34 C ATOM 1486 C LYS A 91 -15.170 -2.664 -8.375 1.00 40.02 C ATOM 1487 O LYS A 91 -16.012 -2.675 -7.478 1.00 43.33 O ATOM 1488 CB LYS A 91 -14.862 -0.221 -8.935 1.00 42.10 C ATOM 1489 CG LYS A 91 -15.532 -0.308 -10.304 1.00 55.01 C ATOM 1490 CD LYS A 91 -16.249 0.995 -10.660 1.00 12.11 C ATOM 1491 CE LYS A 91 -17.284 1.377 -9.602 1.00 40.24 C ATOM 1492 NZ LYS A 91 -17.980 2.647 -9.933 1.00 71.32 N ATOM 0 H LYS A 91 -13.077 -1.339 -10.294 1.00 24.14 H new ATOM 0 HA LYS A 91 -13.723 -1.350 -7.506 1.00 62.34 H new ATOM 0 HB2 LYS A 91 -15.614 0.042 -8.192 1.00 42.10 H new ATOM 0 HB3 LYS A 91 -14.133 0.589 -8.951 1.00 42.10 H new ATOM 0 HG2 LYS A 91 -14.783 -0.532 -11.063 1.00 55.01 H new ATOM 0 HG3 LYS A 91 -16.247 -1.131 -10.309 1.00 55.01 H new ATOM 0 HD2 LYS A 91 -15.518 1.797 -10.760 1.00 12.11 H new ATOM 0 HD3 LYS A 91 -16.740 0.888 -11.627 1.00 12.11 H new ATOM 0 HE2 LYS A 91 -18.017 0.576 -9.508 1.00 40.24 H new ATOM 0 HE3 LYS A 91 -16.793 1.475 -8.634 1.00 40.24 H new ATOM 0 HZ1 LYS A 91 -18.841 2.732 -9.356 1.00 71.32 H new ATOM 0 HZ2 LYS A 91 -17.350 3.450 -9.735 1.00 71.32 H new ATOM 0 HZ3 LYS A 91 -18.237 2.649 -10.941 1.00 71.32 H new ATOM 1506 N GLU A 92 -15.080 -3.630 -9.289 1.00 72.20 N ATOM 1507 CA GLU A 92 -15.898 -4.847 -9.214 1.00 23.42 C ATOM 1508 C GLU A 92 -15.474 -5.708 -8.011 1.00 32.42 C ATOM 1509 O GLU A 92 -16.193 -6.616 -7.586 1.00 61.24 O ATOM 1510 CB GLU A 92 -15.783 -5.648 -10.523 1.00 62.00 C ATOM 1511 CG GLU A 92 -16.639 -6.913 -10.561 1.00 42.44 C ATOM 1512 CD GLU A 92 -16.611 -7.610 -11.914 1.00 24.31 C ATOM 1513 OE1 GLU A 92 -15.591 -8.257 -12.238 1.00 72.12 O ATOM 1514 OE2 GLU A 92 -17.617 -7.530 -12.654 1.00 23.44 O ATOM 0 H GLU A 92 -14.450 -3.596 -10.091 1.00 72.20 H new ATOM 0 HA GLU A 92 -16.940 -4.559 -9.076 1.00 23.42 H new ATOM 0 HB2 GLU A 92 -16.068 -5.005 -11.356 1.00 62.00 H new ATOM 0 HB3 GLU A 92 -14.740 -5.924 -10.676 1.00 62.00 H new ATOM 0 HG2 GLU A 92 -16.289 -7.605 -9.795 1.00 42.44 H new ATOM 0 HG3 GLU A 92 -17.669 -6.656 -10.312 1.00 42.44 H new ATOM 1521 N LYS A 93 -14.287 -5.427 -7.476 1.00 42.14 N ATOM 1522 CA LYS A 93 -13.825 -6.054 -6.235 1.00 4.43 C ATOM 1523 C LYS A 93 -14.016 -5.096 -5.045 1.00 1.13 C ATOM 1524 O LYS A 93 -14.617 -5.458 -4.031 1.00 64.30 O ATOM 1525 CB LYS A 93 -12.350 -6.469 -6.363 1.00 43.21 C ATOM 1526 CG LYS A 93 -11.799 -7.207 -5.142 1.00 55.04 C ATOM 1527 CD LYS A 93 -12.523 -8.530 -4.892 1.00 60.01 C ATOM 1528 CE LYS A 93 -12.001 -9.241 -3.646 1.00 14.44 C ATOM 1529 NZ LYS A 93 -10.539 -9.508 -3.720 1.00 60.42 N ATOM 0 H LYS A 93 -13.624 -4.767 -7.883 1.00 42.14 H new ATOM 0 HA LYS A 93 -14.421 -6.949 -6.055 1.00 4.43 H new ATOM 0 HB2 LYS A 93 -12.238 -7.106 -7.240 1.00 43.21 H new ATOM 0 HB3 LYS A 93 -11.747 -5.578 -6.538 1.00 43.21 H new ATOM 0 HG2 LYS A 93 -10.735 -7.398 -5.284 1.00 55.04 H new ATOM 0 HG3 LYS A 93 -11.894 -6.571 -4.262 1.00 55.04 H new ATOM 0 HD2 LYS A 93 -13.591 -8.344 -4.782 1.00 60.01 H new ATOM 0 HD3 LYS A 93 -12.400 -9.180 -5.758 1.00 60.01 H new ATOM 0 HE2 LYS A 93 -12.213 -8.632 -2.767 1.00 14.44 H new ATOM 0 HE3 LYS A 93 -12.534 -10.183 -3.517 1.00 14.44 H new ATOM 0 HZ1 LYS A 93 -10.344 -10.470 -3.377 1.00 60.42 H new ATOM 0 HZ2 LYS A 93 -10.220 -9.421 -4.706 1.00 60.42 H new ATOM 0 HZ3 LYS A 93 -10.030 -8.820 -3.129 1.00 60.42 H new ATOM 1543 N LEU A 94 -13.513 -3.865 -5.176 1.00 21.22 N ATOM 1544 CA LEU A 94 -13.644 -2.853 -4.118 1.00 20.14 C ATOM 1545 C LEU A 94 -14.719 -1.805 -4.462 1.00 12.44 C ATOM 1546 O LEU A 94 -14.481 -0.895 -5.256 1.00 43.43 O ATOM 1547 CB LEU A 94 -12.303 -2.135 -3.864 1.00 34.43 C ATOM 1548 CG LEU A 94 -11.164 -2.998 -3.285 1.00 4.32 C ATOM 1549 CD1 LEU A 94 -10.581 -3.933 -4.342 1.00 22.34 C ATOM 1550 CD2 LEU A 94 -10.072 -2.112 -2.684 1.00 71.41 C ATOM 0 H LEU A 94 -13.011 -3.543 -6.003 1.00 21.22 H new ATOM 0 HA LEU A 94 -13.946 -3.384 -3.215 1.00 20.14 H new ATOM 0 HB2 LEU A 94 -11.962 -1.705 -4.806 1.00 34.43 H new ATOM 0 HB3 LEU A 94 -12.484 -1.305 -3.181 1.00 34.43 H new ATOM 0 HG LEU A 94 -11.584 -3.617 -2.492 1.00 4.32 H new ATOM 0 HD11 LEU A 94 -9.781 -4.527 -3.901 1.00 22.34 H new ATOM 0 HD12 LEU A 94 -11.363 -4.596 -4.712 1.00 22.34 H new ATOM 0 HD13 LEU A 94 -10.183 -3.344 -5.169 1.00 22.34 H new ATOM 0 HD21 LEU A 94 -9.277 -2.738 -2.280 1.00 71.41 H new ATOM 0 HD22 LEU A 94 -9.664 -1.462 -3.458 1.00 71.41 H new ATOM 0 HD23 LEU A 94 -10.496 -1.504 -1.885 1.00 71.41 H new ATOM 1562 N GLY A 95 -15.904 -1.948 -3.866 1.00 64.45 N ATOM 1563 CA GLY A 95 -16.939 -0.923 -3.990 1.00 22.22 C ATOM 1564 C GLY A 95 -17.953 -1.173 -5.106 1.00 2.22 C ATOM 1565 O GLY A 95 -18.200 -0.292 -5.936 1.00 52.23 O ATOM 0 H GLY A 95 -16.168 -2.754 -3.299 1.00 64.45 H new ATOM 0 HA2 GLY A 95 -17.473 -0.848 -3.043 1.00 22.22 H new ATOM 0 HA3 GLY A 95 -16.459 0.040 -4.163 1.00 22.22 H new ATOM 1569 N VAL A 96 -18.564 -2.360 -5.123 1.00 75.44 N ATOM 1570 CA VAL A 96 -19.637 -2.656 -6.084 1.00 0.30 C ATOM 1571 C VAL A 96 -20.936 -1.911 -5.719 1.00 74.24 C ATOM 1572 O VAL A 96 -21.529 -2.147 -4.665 1.00 31.42 O ATOM 1573 CB VAL A 96 -19.918 -4.180 -6.186 1.00 43.42 C ATOM 1574 CG1 VAL A 96 -18.731 -4.898 -6.817 1.00 43.21 C ATOM 1575 CG2 VAL A 96 -20.244 -4.782 -4.816 1.00 55.12 C ATOM 0 H VAL A 96 -18.339 -3.127 -4.490 1.00 75.44 H new ATOM 0 HA VAL A 96 -19.290 -2.306 -7.056 1.00 0.30 H new ATOM 0 HB VAL A 96 -20.791 -4.317 -6.824 1.00 43.42 H new ATOM 0 HG11 VAL A 96 -18.944 -5.965 -6.881 1.00 43.21 H new ATOM 0 HG12 VAL A 96 -18.556 -4.502 -7.817 1.00 43.21 H new ATOM 0 HG13 VAL A 96 -17.843 -4.741 -6.204 1.00 43.21 H new ATOM 0 HG21 VAL A 96 -20.435 -5.850 -4.924 1.00 55.12 H new ATOM 0 HG22 VAL A 96 -19.401 -4.631 -4.142 1.00 55.12 H new ATOM 0 HG23 VAL A 96 -21.128 -4.295 -4.406 1.00 55.12 H new ATOM 1585 N LYS A 97 -21.369 -1.003 -6.589 1.00 31.24 N ATOM 1586 CA LYS A 97 -22.571 -0.197 -6.337 1.00 75.21 C ATOM 1587 C LYS A 97 -23.722 -0.575 -7.284 1.00 0.34 C ATOM 1588 O LYS A 97 -23.516 -1.245 -8.296 1.00 44.35 O ATOM 1589 CB LYS A 97 -22.241 1.295 -6.496 1.00 22.13 C ATOM 1590 CG LYS A 97 -21.136 1.787 -5.563 1.00 32.32 C ATOM 1591 CD LYS A 97 -20.841 3.275 -5.755 1.00 31.34 C ATOM 1592 CE LYS A 97 -22.054 4.146 -5.436 1.00 4.15 C ATOM 1593 NZ LYS A 97 -21.791 5.586 -5.697 1.00 25.15 N ATOM 0 H LYS A 97 -20.909 -0.803 -7.477 1.00 31.24 H new ATOM 0 HA LYS A 97 -22.897 -0.399 -5.317 1.00 75.21 H new ATOM 0 HB2 LYS A 97 -21.943 1.483 -7.527 1.00 22.13 H new ATOM 0 HB3 LYS A 97 -23.144 1.878 -6.314 1.00 22.13 H new ATOM 0 HG2 LYS A 97 -21.428 1.606 -4.529 1.00 32.32 H new ATOM 0 HG3 LYS A 97 -20.228 1.212 -5.743 1.00 32.32 H new ATOM 0 HD2 LYS A 97 -20.008 3.565 -5.114 1.00 31.34 H new ATOM 0 HD3 LYS A 97 -20.528 3.452 -6.784 1.00 31.34 H new ATOM 0 HE2 LYS A 97 -22.903 3.818 -6.036 1.00 4.15 H new ATOM 0 HE3 LYS A 97 -22.331 4.012 -4.390 1.00 4.15 H new ATOM 0 HZ1 LYS A 97 -22.640 6.141 -5.467 1.00 25.15 H new ATOM 0 HZ2 LYS A 97 -20.997 5.907 -5.106 1.00 25.15 H new ATOM 0 HZ3 LYS A 97 -21.551 5.719 -6.700 1.00 25.15 H new ATOM 1607 N LEU A 98 -24.931 -0.114 -6.955 1.00 62.10 N ATOM 1608 CA LEU A 98 -26.132 -0.352 -7.783 1.00 4.11 C ATOM 1609 C LEU A 98 -26.124 0.469 -9.096 1.00 43.53 C ATOM 1610 O LEU A 98 -27.177 0.756 -9.670 1.00 1.40 O ATOM 1611 CB LEU A 98 -27.409 -0.032 -6.971 1.00 73.33 C ATOM 1612 CG LEU A 98 -27.704 1.465 -6.695 1.00 50.34 C ATOM 1613 CD1 LEU A 98 -29.060 1.626 -6.009 1.00 33.43 C ATOM 1614 CD2 LEU A 98 -26.606 2.112 -5.848 1.00 2.32 C ATOM 0 H LEU A 98 -25.112 0.433 -6.113 1.00 62.10 H new ATOM 0 HA LEU A 98 -26.123 -1.406 -8.061 1.00 4.11 H new ATOM 0 HB2 LEU A 98 -28.263 -0.455 -7.500 1.00 73.33 H new ATOM 0 HB3 LEU A 98 -27.341 -0.547 -6.013 1.00 73.33 H new ATOM 0 HG LEU A 98 -27.728 1.976 -7.658 1.00 50.34 H new ATOM 0 HD11 LEU A 98 -29.250 2.683 -5.823 1.00 33.43 H new ATOM 0 HD12 LEU A 98 -29.843 1.224 -6.652 1.00 33.43 H new ATOM 0 HD13 LEU A 98 -29.055 1.086 -5.062 1.00 33.43 H new ATOM 0 HD21 LEU A 98 -26.849 3.161 -5.676 1.00 2.32 H new ATOM 0 HD22 LEU A 98 -26.533 1.595 -4.891 1.00 2.32 H new ATOM 0 HD23 LEU A 98 -25.653 2.042 -6.372 1.00 2.32 H new ATOM 1626 N GLU A 99 -24.931 0.787 -9.600 1.00 4.23 N ATOM 1627 CA GLU A 99 -24.771 1.691 -10.748 1.00 70.21 C ATOM 1628 C GLU A 99 -24.969 0.988 -12.106 1.00 44.21 C ATOM 1629 O GLU A 99 -24.790 1.608 -13.160 1.00 53.14 O ATOM 1630 CB GLU A 99 -23.379 2.339 -10.699 1.00 33.23 C ATOM 1631 CG GLU A 99 -22.239 1.322 -10.666 1.00 31.01 C ATOM 1632 CD GLU A 99 -20.861 1.961 -10.616 1.00 61.14 C ATOM 1633 OE1 GLU A 99 -20.563 2.660 -9.628 1.00 32.41 O ATOM 1634 OE2 GLU A 99 -20.063 1.753 -11.558 1.00 52.12 O ATOM 0 H GLU A 99 -24.051 0.429 -9.229 1.00 4.23 H new ATOM 0 HA GLU A 99 -25.551 2.448 -10.669 1.00 70.21 H new ATOM 0 HB2 GLU A 99 -23.256 2.984 -11.569 1.00 33.23 H new ATOM 0 HB3 GLU A 99 -23.314 2.976 -9.817 1.00 33.23 H new ATOM 0 HG2 GLU A 99 -22.363 0.676 -9.797 1.00 31.01 H new ATOM 0 HG3 GLU A 99 -22.304 0.685 -11.548 1.00 31.01 H new ATOM 1641 N HIS A 100 -25.339 -0.294 -12.088 1.00 30.52 N ATOM 1642 CA HIS A 100 -25.582 -1.039 -13.332 1.00 10.24 C ATOM 1643 C HIS A 100 -26.846 -0.517 -14.037 1.00 63.31 C ATOM 1644 O HIS A 100 -27.961 -0.708 -13.555 1.00 0.42 O ATOM 1645 CB HIS A 100 -25.718 -2.540 -13.047 1.00 74.24 C ATOM 1646 CG HIS A 100 -24.536 -3.122 -12.332 1.00 54.34 C ATOM 1647 ND1 HIS A 100 -24.641 -3.781 -11.131 1.00 33.12 N ATOM 1648 CD2 HIS A 100 -23.220 -3.142 -12.654 1.00 53.14 C ATOM 1649 CE1 HIS A 100 -23.449 -4.178 -10.739 1.00 1.22 C ATOM 1650 NE2 HIS A 100 -22.566 -3.807 -11.643 1.00 54.02 N ATOM 0 H HIS A 100 -25.477 -0.837 -11.236 1.00 30.52 H new ATOM 0 HA HIS A 100 -24.727 -0.887 -13.991 1.00 10.24 H new ATOM 0 HB2 HIS A 100 -26.614 -2.709 -12.449 1.00 74.24 H new ATOM 0 HB3 HIS A 100 -25.860 -3.069 -13.989 1.00 74.24 H new ATOM 0 HD2 HIS A 100 -22.769 -2.716 -13.538 1.00 53.14 H new ATOM 0 HE1 HIS A 100 -23.231 -4.717 -9.829 1.00 1.22 H new ATOM 0 HE2 HIS A 100 -21.562 -3.984 -11.600 1.00 54.02 H new ATOM 1659 N HIS A 101 -26.667 0.148 -15.174 1.00 11.14 N ATOM 1660 CA HIS A 101 -27.781 0.801 -15.872 1.00 24.24 C ATOM 1661 C HIS A 101 -28.115 0.107 -17.209 1.00 14.42 C ATOM 1662 O HIS A 101 -27.264 -0.550 -17.813 1.00 52.12 O ATOM 1663 CB HIS A 101 -27.431 2.275 -16.111 1.00 31.42 C ATOM 1664 CG HIS A 101 -28.589 3.101 -16.580 1.00 50.31 C ATOM 1665 ND1 HIS A 101 -28.968 3.177 -17.901 1.00 5.24 N ATOM 1666 CD2 HIS A 101 -29.465 3.874 -15.895 1.00 21.41 C ATOM 1667 CE1 HIS A 101 -30.025 3.956 -18.008 1.00 13.20 C ATOM 1668 NE2 HIS A 101 -30.345 4.390 -16.810 1.00 5.33 N ATOM 0 H HIS A 101 -25.763 0.252 -15.636 1.00 11.14 H new ATOM 0 HA HIS A 101 -28.668 0.725 -15.243 1.00 24.24 H new ATOM 0 HB2 HIS A 101 -27.043 2.702 -15.186 1.00 31.42 H new ATOM 0 HB3 HIS A 101 -26.631 2.334 -16.849 1.00 31.42 H new ATOM 0 HD2 HIS A 101 -29.469 4.050 -14.830 1.00 21.41 H new ATOM 0 HE1 HIS A 101 -30.541 4.197 -18.925 1.00 13.20 H new ATOM 0 HE2 HIS A 101 -31.124 5.012 -16.595 1.00 5.33 H new ATOM 1677 N HIS A 102 -29.358 0.276 -17.675 1.00 34.24 N ATOM 1678 CA HIS A 102 -29.816 -0.345 -18.928 1.00 63.01 C ATOM 1679 C HIS A 102 -30.804 0.572 -19.683 1.00 45.00 C ATOM 1680 O HIS A 102 -31.486 1.398 -19.079 1.00 3.24 O ATOM 1681 CB HIS A 102 -30.474 -1.697 -18.607 1.00 34.23 C ATOM 1682 CG HIS A 102 -30.959 -2.462 -19.806 1.00 12.05 C ATOM 1683 ND1 HIS A 102 -30.113 -3.118 -20.675 1.00 2.12 N ATOM 1684 CD2 HIS A 102 -32.211 -2.676 -20.278 1.00 13.42 C ATOM 1685 CE1 HIS A 102 -30.818 -3.699 -21.624 1.00 1.52 C ATOM 1686 NE2 HIS A 102 -32.091 -3.449 -21.408 1.00 33.03 N ATOM 0 H HIS A 102 -30.067 0.838 -17.204 1.00 34.24 H new ATOM 0 HA HIS A 102 -28.955 -0.500 -19.579 1.00 63.01 H new ATOM 0 HB2 HIS A 102 -29.758 -2.314 -18.065 1.00 34.23 H new ATOM 0 HB3 HIS A 102 -31.317 -1.525 -17.938 1.00 34.23 H new ATOM 0 HD2 HIS A 102 -33.130 -2.308 -19.847 1.00 13.42 H new ATOM 0 HE1 HIS A 102 -30.418 -4.282 -22.441 1.00 1.52 H new ATOM 0 HE2 HIS A 102 -32.865 -3.776 -21.986 1.00 33.03 H new ATOM 1695 N HIS A 103 -30.854 0.432 -21.010 1.00 0.41 N ATOM 1696 CA HIS A 103 -31.805 1.178 -21.853 1.00 14.44 C ATOM 1697 C HIS A 103 -32.642 0.219 -22.712 1.00 65.33 C ATOM 1698 O HIS A 103 -32.106 -0.756 -23.248 1.00 61.43 O ATOM 1699 CB HIS A 103 -31.057 2.146 -22.784 1.00 33.34 C ATOM 1700 CG HIS A 103 -30.233 3.183 -22.080 1.00 63.22 C ATOM 1701 ND1 HIS A 103 -28.860 3.113 -21.990 1.00 62.34 N ATOM 1702 CD2 HIS A 103 -30.586 4.331 -21.449 1.00 71.53 C ATOM 1703 CE1 HIS A 103 -28.405 4.162 -21.343 1.00 45.31 C ATOM 1704 NE2 HIS A 103 -29.426 4.918 -21.003 1.00 22.33 N ATOM 0 H HIS A 103 -30.243 -0.196 -21.532 1.00 0.41 H new ATOM 0 HA HIS A 103 -32.462 1.739 -21.189 1.00 14.44 H new ATOM 0 HB2 HIS A 103 -30.406 1.568 -23.439 1.00 33.34 H new ATOM 0 HB3 HIS A 103 -31.784 2.650 -23.421 1.00 33.34 H new ATOM 0 HD2 HIS A 103 -31.589 4.712 -21.321 1.00 71.53 H new ATOM 0 HE1 HIS A 103 -27.367 4.369 -21.127 1.00 45.31 H new ATOM 0 HE2 HIS A 103 -29.367 5.798 -20.491 1.00 22.33 H new ATOM 1713 N HIS A 104 -33.951 0.490 -22.840 1.00 53.20 N ATOM 1714 CA HIS A 104 -34.832 -0.315 -23.709 1.00 34.43 C ATOM 1715 C HIS A 104 -34.962 -1.758 -23.168 1.00 44.22 C ATOM 1716 O HIS A 104 -34.360 -2.092 -22.148 1.00 20.11 O ATOM 1717 CB HIS A 104 -34.259 -0.289 -25.142 1.00 53.53 C ATOM 1718 CG HIS A 104 -35.118 -0.900 -26.201 1.00 44.04 C ATOM 1719 ND1 HIS A 104 -34.801 -2.080 -26.828 1.00 15.31 N ATOM 1720 CD2 HIS A 104 -36.253 -0.461 -26.791 1.00 21.03 C ATOM 1721 CE1 HIS A 104 -35.692 -2.339 -27.757 1.00 21.02 C ATOM 1722 NE2 HIS A 104 -36.589 -1.375 -27.759 1.00 14.34 N ATOM 0 H HIS A 104 -34.423 1.255 -22.357 1.00 53.20 H new ATOM 0 HA HIS A 104 -35.837 0.107 -23.720 1.00 34.43 H new ATOM 0 HB2 HIS A 104 -34.062 0.748 -25.415 1.00 53.53 H new ATOM 0 HB3 HIS A 104 -33.299 -0.805 -25.138 1.00 53.53 H new ATOM 0 HD2 HIS A 104 -36.794 0.441 -26.546 1.00 21.03 H new ATOM 0 HE1 HIS A 104 -35.690 -3.199 -28.410 1.00 21.02 H new ATOM 0 HE2 HIS A 104 -37.399 -1.317 -28.377 1.00 14.34 H new ATOM 1731 N HIS A 105 -35.771 -2.612 -23.802 1.00 74.03 N ATOM 1732 CA HIS A 105 -35.836 -4.024 -23.381 1.00 32.11 C ATOM 1733 C HIS A 105 -34.607 -4.811 -23.877 1.00 15.14 C ATOM 1734 O HIS A 105 -34.499 -5.075 -25.095 1.00 38.53 O ATOM 1735 CB HIS A 105 -37.155 -4.701 -23.811 1.00 15.12 C ATOM 1736 CG HIS A 105 -37.436 -4.739 -25.286 1.00 71.23 C ATOM 1737 ND1 HIS A 105 -36.867 -5.658 -26.141 1.00 1.01 N ATOM 1738 CD2 HIS A 105 -38.273 -3.996 -26.047 1.00 71.25 C ATOM 1739 CE1 HIS A 105 -37.338 -5.480 -27.355 1.00 31.51 C ATOM 1740 NE2 HIS A 105 -38.193 -4.479 -27.328 1.00 71.12 N ATOM 1741 OXT HIS A 105 -33.736 -5.137 -23.043 1.00 38.53 O ATOM 0 H HIS A 105 -36.375 -2.366 -24.586 1.00 74.03 H new ATOM 0 HA HIS A 105 -35.820 -4.034 -22.291 1.00 32.11 H new ATOM 0 HB2 HIS A 105 -37.151 -5.725 -23.437 1.00 15.12 H new ATOM 0 HB3 HIS A 105 -37.980 -4.185 -23.319 1.00 15.12 H new ATOM 0 HD1 HIS A 105 -36.185 -6.367 -25.873 1.00 1.01 H new ATOM 0 HD2 HIS A 105 -38.889 -3.176 -25.709 1.00 71.25 H new ATOM 0 HE1 HIS A 105 -37.069 -6.057 -28.227 1.00 31.51 H new TER 1750 HIS A 105