USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 855 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 44 THR OG1 : rot -91:sc= 1.13 USER MOD Set 1.2: A 48 ASN : amide:sc= -4! C(o=-2.9!,f=-5.8!) USER MOD Single : A 1 MET CE :methyl -167:sc= -1.82 (180deg=-2.52) USER MOD Single : A 1 MET N :NH3+ -173:sc= -1.9 (180deg=-2.28) USER MOD Single : A 7 SER OG : rot 160:sc= -0.247 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 84:sc= 0.444 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0856 USER MOD Single : A 45 THR OG1 : rot 90:sc= 1.27 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 80:sc= -0.321 USER MOD Single : A 52 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.14) USER MOD Single : A 55 LYS NZ :NH3+ 140:sc= -0.0892 (180deg=-0.467) USER MOD Single : A 57 GLN : amide:sc= -5.99! C(o=-6!,f=-3!) USER MOD Single : A 60 GLN : amide:sc= -0.535 K(o=-0.54,f=0) USER MOD Single : A 62 SER OG : rot -27:sc= 0.0938 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 78:sc= 0.447 USER MOD Single : A 72 THR OG1 : rot -88:sc= 0.0888 USER MOD Single : A 73 ASN : amide:sc= -0.966 K(o=-0.97,f=-2.4) USER MOD Single : A 75 THR OG1 : rot 70:sc= -1.88 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -164:sc= -0.0239 (180deg=-0.441) USER MOD Single : A 93 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.0845) USER MOD Single : A 95 SER OG : rot 77:sc= 1.27 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -1.27! C(o=-1.3!,f=-2!) USER MOD Single : A 104 HIS : no HD1:sc= -0.569 K(o=-0.57,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.145 1.199 0.837 1.00 51.22 N ATOM 2 CA MET A 1 2.999 1.442 -0.320 1.00 71.42 C ATOM 3 C MET A 1 3.945 2.610 -0.062 1.00 62.22 C ATOM 4 O MET A 1 4.656 3.057 -0.963 1.00 33.30 O ATOM 5 CB MET A 1 2.147 1.724 -1.559 1.00 41.23 C ATOM 6 CG MET A 1 1.357 0.518 -2.041 1.00 51.44 C ATOM 7 SD MET A 1 -0.426 0.774 -1.949 1.00 44.11 S ATOM 8 CE MET A 1 -0.686 0.705 -0.178 1.00 53.04 C ATOM 0 H1 MET A 1 1.595 0.330 0.686 1.00 51.22 H new ATOM 0 H2 MET A 1 2.734 1.092 1.687 1.00 51.22 H new ATOM 0 H3 MET A 1 1.496 2.002 0.964 1.00 51.22 H new ATOM 0 HA MET A 1 3.596 0.547 -0.494 1.00 71.42 H new ATOM 0 HB2 MET A 1 1.455 2.536 -1.337 1.00 41.23 H new ATOM 0 HB3 MET A 1 2.795 2.069 -2.365 1.00 41.23 H new ATOM 0 HG2 MET A 1 1.635 0.294 -3.071 1.00 51.44 H new ATOM 0 HG3 MET A 1 1.627 -0.351 -1.442 1.00 51.44 H new ATOM 0 HE1 MET A 1 -1.752 0.615 0.030 1.00 53.04 H new ATOM 0 HE2 MET A 1 -0.162 -0.158 0.233 1.00 53.04 H new ATOM 0 HE3 MET A 1 -0.303 1.616 0.282 1.00 53.04 H new ATOM 18 N PHE A 2 3.949 3.100 1.173 1.00 44.52 N ATOM 19 CA PHE A 2 4.808 4.218 1.549 1.00 73.14 C ATOM 20 C PHE A 2 6.043 3.727 2.297 1.00 23.23 C ATOM 21 O PHE A 2 7.159 4.180 2.041 1.00 52.22 O ATOM 22 CB PHE A 2 4.034 5.214 2.416 1.00 63.54 C ATOM 23 CG PHE A 2 2.545 5.126 2.245 1.00 54.20 C ATOM 24 CD1 PHE A 2 1.960 5.363 1.011 1.00 3.21 C ATOM 25 CD2 PHE A 2 1.729 4.807 3.318 1.00 34.41 C ATOM 26 CE1 PHE A 2 0.590 5.284 0.852 1.00 52.23 C ATOM 27 CE2 PHE A 2 0.357 4.726 3.165 1.00 63.23 C ATOM 28 CZ PHE A 2 -0.213 4.964 1.929 1.00 24.14 C ATOM 0 H PHE A 2 3.368 2.741 1.930 1.00 44.52 H new ATOM 0 HA PHE A 2 5.133 4.718 0.636 1.00 73.14 H new ATOM 0 HB2 PHE A 2 4.282 5.042 3.463 1.00 63.54 H new ATOM 0 HB3 PHE A 2 4.361 6.225 2.173 1.00 63.54 H new ATOM 0 HD1 PHE A 2 2.582 5.612 0.164 1.00 3.21 H new ATOM 0 HD2 PHE A 2 2.170 4.619 4.286 1.00 34.41 H new ATOM 0 HE1 PHE A 2 0.147 5.473 -0.115 1.00 52.23 H new ATOM 0 HE2 PHE A 2 -0.268 4.477 4.010 1.00 63.23 H new ATOM 0 HZ PHE A 2 -1.284 4.900 1.805 1.00 24.14 H new ATOM 38 N ASP A 3 5.836 2.798 3.224 1.00 15.00 N ATOM 39 CA ASP A 3 6.932 2.244 4.011 1.00 55.14 C ATOM 40 C ASP A 3 6.416 1.214 5.011 1.00 42.02 C ATOM 41 O ASP A 3 6.765 0.035 4.938 1.00 54.24 O ATOM 42 CB ASP A 3 7.675 3.360 4.746 1.00 14.32 C ATOM 43 CG ASP A 3 9.008 3.690 4.104 1.00 74.24 C ATOM 44 OD1 ASP A 3 9.854 2.779 3.995 1.00 65.24 O ATOM 45 OD2 ASP A 3 9.204 4.859 3.710 1.00 23.14 O ATOM 0 H ASP A 3 4.919 2.413 3.449 1.00 15.00 H new ATOM 0 HA ASP A 3 7.622 1.747 3.329 1.00 55.14 H new ATOM 0 HB2 ASP A 3 7.053 4.255 4.765 1.00 14.32 H new ATOM 0 HB3 ASP A 3 7.838 3.063 5.782 1.00 14.32 H new ATOM 50 N ILE A 4 5.586 1.667 5.944 1.00 3.13 N ATOM 51 CA ILE A 4 5.024 0.785 6.959 1.00 75.21 C ATOM 52 C ILE A 4 6.118 0.193 7.841 1.00 73.22 C ATOM 53 O ILE A 4 6.401 0.704 8.923 1.00 23.23 O ATOM 54 CB ILE A 4 4.216 -0.362 6.322 1.00 22.05 C ATOM 55 CG1 ILE A 4 3.014 0.195 5.557 1.00 31.14 C ATOM 56 CG2 ILE A 4 3.762 -1.346 7.390 1.00 31.11 C ATOM 57 CD1 ILE A 4 1.994 0.873 6.445 1.00 1.12 C ATOM 0 H ILE A 4 5.288 2.640 6.018 1.00 3.13 H new ATOM 0 HA ILE A 4 4.357 1.393 7.571 1.00 75.21 H new ATOM 0 HB ILE A 4 4.857 -0.891 5.617 1.00 22.05 H new ATOM 0 HG12 ILE A 4 3.367 0.908 4.812 1.00 31.14 H new ATOM 0 HG13 ILE A 4 2.530 -0.618 5.016 1.00 31.14 H new ATOM 0 HG21 ILE A 4 3.192 -2.151 6.925 1.00 31.11 H new ATOM 0 HG22 ILE A 4 4.634 -1.763 7.895 1.00 31.11 H new ATOM 0 HG23 ILE A 4 3.134 -0.830 8.117 1.00 31.11 H new ATOM 0 HD11 ILE A 4 1.170 1.244 5.835 1.00 1.12 H new ATOM 0 HD12 ILE A 4 1.613 0.157 7.174 1.00 1.12 H new ATOM 0 HD13 ILE A 4 2.463 1.707 6.967 1.00 1.12 H new ATOM 69 N GLY A 5 6.731 -0.888 7.368 1.00 20.34 N ATOM 70 CA GLY A 5 7.789 -1.531 8.126 1.00 72.44 C ATOM 71 C GLY A 5 7.255 -2.529 9.135 1.00 44.41 C ATOM 72 O GLY A 5 7.795 -3.626 9.280 1.00 42.34 O ATOM 0 H GLY A 5 6.514 -1.330 6.474 1.00 20.34 H new ATOM 0 HA2 GLY A 5 8.466 -2.040 7.440 1.00 72.44 H new ATOM 0 HA3 GLY A 5 8.373 -0.771 8.645 1.00 72.44 H new ATOM 76 N PHE A 6 6.193 -2.147 9.837 1.00 62.34 N ATOM 77 CA PHE A 6 5.588 -3.015 10.840 1.00 30.21 C ATOM 78 C PHE A 6 4.324 -2.382 11.416 1.00 64.44 C ATOM 79 O PHE A 6 3.483 -3.068 11.997 1.00 63.02 O ATOM 80 CB PHE A 6 6.585 -3.303 11.964 1.00 22.32 C ATOM 81 CG PHE A 6 6.790 -2.143 12.896 1.00 60.12 C ATOM 82 CD1 PHE A 6 7.146 -0.897 12.404 1.00 33.42 C ATOM 83 CD2 PHE A 6 6.626 -2.298 14.263 1.00 44.11 C ATOM 84 CE1 PHE A 6 7.336 0.172 13.259 1.00 34.44 C ATOM 85 CE2 PHE A 6 6.814 -1.232 15.123 1.00 64.40 C ATOM 86 CZ PHE A 6 7.169 0.004 14.620 1.00 15.23 C ATOM 0 H PHE A 6 5.734 -1.242 9.730 1.00 62.34 H new ATOM 0 HA PHE A 6 5.316 -3.953 10.356 1.00 30.21 H new ATOM 0 HB2 PHE A 6 6.236 -4.162 12.537 1.00 22.32 H new ATOM 0 HB3 PHE A 6 7.544 -3.581 11.526 1.00 22.32 H new ATOM 0 HD1 PHE A 6 7.276 -0.760 11.341 1.00 33.42 H new ATOM 0 HD2 PHE A 6 6.348 -3.263 14.661 1.00 44.11 H new ATOM 0 HE1 PHE A 6 7.615 1.138 12.864 1.00 34.44 H new ATOM 0 HE2 PHE A 6 6.683 -1.366 16.187 1.00 64.40 H new ATOM 0 HZ PHE A 6 7.316 0.838 15.290 1.00 15.23 H new ATOM 96 N SER A 7 4.199 -1.070 11.250 1.00 50.41 N ATOM 97 CA SER A 7 3.041 -0.342 11.756 1.00 31.44 C ATOM 98 C SER A 7 1.754 -1.119 11.494 1.00 63.21 C ATOM 99 O SER A 7 0.877 -1.195 12.353 1.00 13.41 O ATOM 100 CB SER A 7 2.957 1.040 11.107 1.00 14.42 C ATOM 101 OG SER A 7 3.424 1.005 9.770 1.00 4.40 O ATOM 0 H SER A 7 4.885 -0.489 10.769 1.00 50.41 H new ATOM 0 HA SER A 7 3.160 -0.223 12.833 1.00 31.44 H new ATOM 0 HB2 SER A 7 1.926 1.392 11.126 1.00 14.42 H new ATOM 0 HB3 SER A 7 3.548 1.752 11.683 1.00 14.42 H new ATOM 0 HG SER A 7 3.077 1.780 9.282 1.00 4.40 H new ATOM 107 N GLU A 8 1.651 -1.695 10.300 1.00 0.11 N ATOM 108 CA GLU A 8 0.472 -2.465 9.924 1.00 74.32 C ATOM 109 C GLU A 8 0.399 -3.770 10.712 1.00 3.34 C ATOM 110 O GLU A 8 -0.648 -4.123 11.256 1.00 52.13 O ATOM 111 CB GLU A 8 0.488 -2.764 8.423 1.00 14.02 C ATOM 112 CG GLU A 8 -0.163 -1.680 7.580 1.00 71.41 C ATOM 113 CD GLU A 8 0.314 -1.696 6.141 1.00 43.33 C ATOM 114 OE1 GLU A 8 1.127 -2.578 5.794 1.00 41.10 O ATOM 115 OE2 GLU A 8 -0.126 -0.825 5.361 1.00 2.11 O ATOM 0 H GLU A 8 2.369 -1.643 9.578 1.00 0.11 H new ATOM 0 HA GLU A 8 -0.409 -1.869 10.160 1.00 74.32 H new ATOM 0 HB2 GLU A 8 1.520 -2.895 8.098 1.00 14.02 H new ATOM 0 HB3 GLU A 8 -0.025 -3.709 8.244 1.00 14.02 H new ATOM 0 HG2 GLU A 8 -1.245 -1.809 7.602 1.00 71.41 H new ATOM 0 HG3 GLU A 8 0.051 -0.706 8.019 1.00 71.41 H new ATOM 122 N LEU A 9 1.519 -4.482 10.770 1.00 3.23 N ATOM 123 CA LEU A 9 1.584 -5.748 11.492 1.00 64.03 C ATOM 124 C LEU A 9 1.060 -5.591 12.915 1.00 35.33 C ATOM 125 O LEU A 9 0.084 -6.236 13.303 1.00 2.24 O ATOM 126 CB LEU A 9 3.023 -6.268 11.521 1.00 51.33 C ATOM 127 CG LEU A 9 3.188 -7.787 11.481 1.00 25.23 C ATOM 128 CD1 LEU A 9 2.168 -8.459 12.387 1.00 73.14 C ATOM 129 CD2 LEU A 9 3.059 -8.301 10.055 1.00 71.11 C ATOM 0 H LEU A 9 2.394 -4.204 10.326 1.00 3.23 H new ATOM 0 HA LEU A 9 0.954 -6.468 10.970 1.00 64.03 H new ATOM 0 HB2 LEU A 9 3.559 -5.842 10.673 1.00 51.33 H new ATOM 0 HB3 LEU A 9 3.505 -5.894 12.424 1.00 51.33 H new ATOM 0 HG LEU A 9 4.185 -8.034 11.845 1.00 25.23 H new ATOM 0 HD11 LEU A 9 2.301 -9.540 12.345 1.00 73.14 H new ATOM 0 HD12 LEU A 9 2.309 -8.115 13.412 1.00 73.14 H new ATOM 0 HD13 LEU A 9 1.162 -8.204 12.054 1.00 73.14 H new ATOM 0 HD21 LEU A 9 3.179 -9.384 10.046 1.00 71.11 H new ATOM 0 HD22 LEU A 9 2.076 -8.042 9.662 1.00 71.11 H new ATOM 0 HD23 LEU A 9 3.829 -7.845 9.433 1.00 71.11 H new ATOM 141 N LEU A 10 1.711 -4.730 13.689 1.00 51.12 N ATOM 142 CA LEU A 10 1.309 -4.486 15.070 1.00 54.13 C ATOM 143 C LEU A 10 -0.154 -4.059 15.144 1.00 42.14 C ATOM 144 O LEU A 10 -0.928 -4.593 15.938 1.00 35.33 O ATOM 145 CB LEU A 10 2.198 -3.412 15.698 1.00 12.35 C ATOM 146 CG LEU A 10 2.248 -2.070 14.968 1.00 52.54 C ATOM 147 CD1 LEU A 10 1.241 -1.099 15.565 1.00 42.41 C ATOM 148 CD2 LEU A 10 3.652 -1.485 15.021 1.00 32.11 C ATOM 0 H LEU A 10 2.520 -4.189 13.384 1.00 51.12 H new ATOM 0 HA LEU A 10 1.425 -5.416 15.626 1.00 54.13 H new ATOM 0 HB2 LEU A 10 1.855 -3.236 16.717 1.00 12.35 H new ATOM 0 HB3 LEU A 10 3.213 -3.803 15.766 1.00 12.35 H new ATOM 0 HG LEU A 10 1.985 -2.237 13.923 1.00 52.54 H new ATOM 0 HD11 LEU A 10 1.291 -0.149 15.032 1.00 42.41 H new ATOM 0 HD12 LEU A 10 0.237 -1.514 15.473 1.00 42.41 H new ATOM 0 HD13 LEU A 10 1.472 -0.937 16.618 1.00 42.41 H new ATOM 0 HD21 LEU A 10 3.668 -0.530 14.496 1.00 32.11 H new ATOM 0 HD22 LEU A 10 3.944 -1.333 16.060 1.00 32.11 H new ATOM 0 HD23 LEU A 10 4.351 -2.173 14.545 1.00 32.11 H new ATOM 160 N LEU A 11 -0.526 -3.094 14.309 1.00 21.52 N ATOM 161 CA LEU A 11 -1.897 -2.597 14.278 1.00 42.32 C ATOM 162 C LEU A 11 -2.889 -3.744 14.122 1.00 34.45 C ATOM 163 O LEU A 11 -3.675 -4.027 15.027 1.00 2.45 O ATOM 164 CB LEU A 11 -2.071 -1.598 13.133 1.00 54.25 C ATOM 165 CG LEU A 11 -3.406 -0.853 13.089 1.00 73.42 C ATOM 166 CD1 LEU A 11 -3.283 0.504 13.762 1.00 3.45 C ATOM 167 CD2 LEU A 11 -3.883 -0.697 11.652 1.00 3.41 C ATOM 0 H LEU A 11 0.102 -2.641 13.645 1.00 21.52 H new ATOM 0 HA LEU A 11 -2.097 -2.095 15.225 1.00 42.32 H new ATOM 0 HB2 LEU A 11 -1.269 -0.862 13.194 1.00 54.25 H new ATOM 0 HB3 LEU A 11 -1.944 -2.130 12.190 1.00 54.25 H new ATOM 0 HG LEU A 11 -4.145 -1.440 13.634 1.00 73.42 H new ATOM 0 HD11 LEU A 11 -4.243 1.019 13.721 1.00 3.45 H new ATOM 0 HD12 LEU A 11 -2.988 0.369 14.803 1.00 3.45 H new ATOM 0 HD13 LEU A 11 -2.529 1.099 13.246 1.00 3.45 H new ATOM 0 HD21 LEU A 11 -4.834 -0.165 11.640 1.00 3.41 H new ATOM 0 HD22 LEU A 11 -3.144 -0.133 11.083 1.00 3.41 H new ATOM 0 HD23 LEU A 11 -4.013 -1.682 11.203 1.00 3.41 H new ATOM 179 N VAL A 12 -2.847 -4.405 12.970 1.00 51.34 N ATOM 180 CA VAL A 12 -3.740 -5.524 12.697 1.00 73.34 C ATOM 181 C VAL A 12 -3.746 -6.517 13.853 1.00 31.42 C ATOM 182 O VAL A 12 -4.804 -6.964 14.297 1.00 71.01 O ATOM 183 CB VAL A 12 -3.339 -6.260 11.404 1.00 21.34 C ATOM 184 CG1 VAL A 12 -4.354 -7.343 11.069 1.00 42.51 C ATOM 185 CG2 VAL A 12 -3.197 -5.276 10.253 1.00 3.04 C ATOM 0 H VAL A 12 -2.203 -4.185 12.210 1.00 51.34 H new ATOM 0 HA VAL A 12 -4.740 -5.108 12.574 1.00 73.34 H new ATOM 0 HB VAL A 12 -2.373 -6.738 11.564 1.00 21.34 H new ATOM 0 HG11 VAL A 12 -4.054 -7.852 10.153 1.00 42.51 H new ATOM 0 HG12 VAL A 12 -4.400 -8.063 11.886 1.00 42.51 H new ATOM 0 HG13 VAL A 12 -5.336 -6.891 10.928 1.00 42.51 H new ATOM 0 HG21 VAL A 12 -2.913 -5.813 9.348 1.00 3.04 H new ATOM 0 HG22 VAL A 12 -4.147 -4.767 10.090 1.00 3.04 H new ATOM 0 HG23 VAL A 12 -2.429 -4.542 10.495 1.00 3.04 H new ATOM 195 N PHE A 13 -2.557 -6.859 14.338 1.00 30.14 N ATOM 196 CA PHE A 13 -2.424 -7.800 15.444 1.00 33.42 C ATOM 197 C PHE A 13 -3.218 -7.328 16.659 1.00 42.11 C ATOM 198 O PHE A 13 -3.903 -8.116 17.311 1.00 72.43 O ATOM 199 CB PHE A 13 -0.951 -7.975 15.820 1.00 52.35 C ATOM 200 CG PHE A 13 -0.698 -9.144 16.727 1.00 32.23 C ATOM 201 CD1 PHE A 13 -0.521 -10.416 16.207 1.00 35.31 C ATOM 202 CD2 PHE A 13 -0.637 -8.972 18.101 1.00 45.43 C ATOM 203 CE1 PHE A 13 -0.289 -11.494 17.040 1.00 33.24 C ATOM 204 CE2 PHE A 13 -0.404 -10.046 18.939 1.00 52.21 C ATOM 205 CZ PHE A 13 -0.229 -11.309 18.408 1.00 54.42 C ATOM 0 H PHE A 13 -1.672 -6.498 13.982 1.00 30.14 H new ATOM 0 HA PHE A 13 -2.825 -8.760 15.120 1.00 33.42 H new ATOM 0 HB2 PHE A 13 -0.364 -8.098 14.910 1.00 52.35 H new ATOM 0 HB3 PHE A 13 -0.598 -7.065 16.306 1.00 52.35 H new ATOM 0 HD1 PHE A 13 -0.565 -10.567 15.138 1.00 35.31 H new ATOM 0 HD2 PHE A 13 -0.773 -7.987 18.522 1.00 45.43 H new ATOM 0 HE1 PHE A 13 -0.155 -12.481 16.622 1.00 33.24 H new ATOM 0 HE2 PHE A 13 -0.359 -9.898 20.008 1.00 52.21 H new ATOM 0 HZ PHE A 13 -0.046 -12.150 19.060 1.00 54.42 H new ATOM 215 N ILE A 14 -3.119 -6.037 16.957 1.00 40.22 N ATOM 216 CA ILE A 14 -3.827 -5.459 18.092 1.00 13.01 C ATOM 217 C ILE A 14 -5.336 -5.492 17.873 1.00 11.42 C ATOM 218 O ILE A 14 -6.079 -6.048 18.683 1.00 41.05 O ATOM 219 CB ILE A 14 -3.388 -4.005 18.349 1.00 75.22 C ATOM 220 CG1 ILE A 14 -1.936 -3.965 18.828 1.00 0.01 C ATOM 221 CG2 ILE A 14 -4.307 -3.347 19.368 1.00 44.23 C ATOM 222 CD1 ILE A 14 -1.730 -4.597 20.187 1.00 14.21 C ATOM 0 H ILE A 14 -2.555 -5.372 16.428 1.00 40.22 H new ATOM 0 HA ILE A 14 -3.575 -6.065 18.963 1.00 13.01 H new ATOM 0 HB ILE A 14 -3.457 -3.449 17.414 1.00 75.22 H new ATOM 0 HG12 ILE A 14 -1.307 -4.477 18.099 1.00 0.01 H new ATOM 0 HG13 ILE A 14 -1.602 -2.928 18.864 1.00 0.01 H new ATOM 0 HG21 ILE A 14 -3.984 -2.320 19.539 1.00 44.23 H new ATOM 0 HG22 ILE A 14 -5.329 -3.348 18.990 1.00 44.23 H new ATOM 0 HG23 ILE A 14 -4.267 -3.901 20.306 1.00 44.23 H new ATOM 0 HD11 ILE A 14 -0.677 -4.533 20.462 1.00 14.21 H new ATOM 0 HD12 ILE A 14 -2.332 -4.071 20.928 1.00 14.21 H new ATOM 0 HD13 ILE A 14 -2.032 -5.644 20.151 1.00 14.21 H new ATOM 234 N ILE A 15 -5.782 -4.894 16.774 1.00 42.54 N ATOM 235 CA ILE A 15 -7.202 -4.857 16.447 1.00 42.23 C ATOM 236 C ILE A 15 -7.810 -6.255 16.482 1.00 14.43 C ATOM 237 O ILE A 15 -8.995 -6.420 16.770 1.00 70.11 O ATOM 238 CB ILE A 15 -7.444 -4.239 15.057 1.00 42.11 C ATOM 239 CG1 ILE A 15 -6.726 -2.893 14.941 1.00 12.53 C ATOM 240 CG2 ILE A 15 -8.935 -4.074 14.803 1.00 63.32 C ATOM 241 CD1 ILE A 15 -6.964 -1.978 16.123 1.00 43.14 C ATOM 0 H ILE A 15 -5.180 -4.428 16.095 1.00 42.54 H new ATOM 0 HA ILE A 15 -7.684 -4.234 17.201 1.00 42.23 H new ATOM 0 HB ILE A 15 -7.039 -4.912 14.301 1.00 42.11 H new ATOM 0 HG12 ILE A 15 -5.655 -3.069 14.838 1.00 12.53 H new ATOM 0 HG13 ILE A 15 -7.056 -2.391 14.031 1.00 12.53 H new ATOM 0 HG21 ILE A 15 -9.090 -3.636 13.817 1.00 63.32 H new ATOM 0 HG22 ILE A 15 -9.422 -5.048 14.848 1.00 63.32 H new ATOM 0 HG23 ILE A 15 -9.363 -3.419 15.562 1.00 63.32 H new ATOM 0 HD11 ILE A 15 -6.425 -1.042 15.973 1.00 43.14 H new ATOM 0 HD12 ILE A 15 -8.030 -1.772 16.215 1.00 43.14 H new ATOM 0 HD13 ILE A 15 -6.608 -2.460 17.034 1.00 43.14 H new ATOM 253 N GLY A 16 -6.990 -7.259 16.189 1.00 30.12 N ATOM 254 CA GLY A 16 -7.465 -8.630 16.195 1.00 62.51 C ATOM 255 C GLY A 16 -7.878 -9.095 17.577 1.00 33.13 C ATOM 256 O GLY A 16 -8.856 -9.829 17.727 1.00 30.21 O ATOM 0 H GLY A 16 -6.005 -7.148 15.948 1.00 30.12 H new ATOM 0 HA2 GLY A 16 -8.313 -8.720 15.516 1.00 62.51 H new ATOM 0 HA3 GLY A 16 -6.681 -9.284 15.814 1.00 62.51 H new ATOM 260 N LEU A 17 -7.132 -8.669 18.590 1.00 14.15 N ATOM 261 CA LEU A 17 -7.426 -9.047 19.969 1.00 64.24 C ATOM 262 C LEU A 17 -8.533 -8.173 20.549 1.00 25.14 C ATOM 263 O LEU A 17 -9.402 -8.655 21.275 1.00 34.11 O ATOM 264 CB LEU A 17 -6.166 -8.933 20.829 1.00 62.14 C ATOM 265 CG LEU A 17 -4.857 -9.358 20.162 1.00 71.42 C ATOM 266 CD1 LEU A 17 -3.690 -9.195 21.123 1.00 13.33 C ATOM 267 CD2 LEU A 17 -4.950 -10.797 19.673 1.00 13.42 C ATOM 0 H LEU A 17 -6.319 -8.062 18.483 1.00 14.15 H new ATOM 0 HA LEU A 17 -7.768 -10.082 19.971 1.00 64.24 H new ATOM 0 HB2 LEU A 17 -6.065 -7.898 21.155 1.00 62.14 H new ATOM 0 HB3 LEU A 17 -6.306 -9.537 21.726 1.00 62.14 H new ATOM 0 HG LEU A 17 -4.685 -8.712 19.301 1.00 71.42 H new ATOM 0 HD11 LEU A 17 -2.767 -9.502 20.631 1.00 13.33 H new ATOM 0 HD12 LEU A 17 -3.610 -8.151 21.424 1.00 13.33 H new ATOM 0 HD13 LEU A 17 -3.855 -9.815 22.004 1.00 13.33 H new ATOM 0 HD21 LEU A 17 -4.010 -11.082 19.201 1.00 13.42 H new ATOM 0 HD22 LEU A 17 -5.147 -11.457 20.518 1.00 13.42 H new ATOM 0 HD23 LEU A 17 -5.760 -10.884 18.949 1.00 13.42 H new ATOM 279 N VAL A 18 -8.495 -6.885 20.223 1.00 2.15 N ATOM 280 CA VAL A 18 -9.496 -5.944 20.710 1.00 54.31 C ATOM 281 C VAL A 18 -10.848 -6.188 20.048 1.00 64.13 C ATOM 282 O VAL A 18 -11.892 -5.827 20.591 1.00 42.12 O ATOM 283 CB VAL A 18 -9.068 -4.486 20.454 1.00 21.45 C ATOM 284 CG1 VAL A 18 -7.578 -4.315 20.710 1.00 72.14 C ATOM 285 CG2 VAL A 18 -9.426 -4.067 19.037 1.00 51.12 C ATOM 0 H VAL A 18 -7.782 -6.470 19.624 1.00 2.15 H new ATOM 0 HA VAL A 18 -9.586 -6.106 21.784 1.00 54.31 H new ATOM 0 HB VAL A 18 -9.608 -3.840 21.146 1.00 21.45 H new ATOM 0 HG11 VAL A 18 -7.293 -3.279 20.524 1.00 72.14 H new ATOM 0 HG12 VAL A 18 -7.355 -4.573 21.745 1.00 72.14 H new ATOM 0 HG13 VAL A 18 -7.017 -4.970 20.044 1.00 72.14 H new ATOM 0 HG21 VAL A 18 -9.117 -3.035 18.874 1.00 51.12 H new ATOM 0 HG22 VAL A 18 -8.915 -4.716 18.326 1.00 51.12 H new ATOM 0 HG23 VAL A 18 -10.503 -4.150 18.894 1.00 51.12 H new ATOM 295 N VAL A 19 -10.821 -6.805 18.870 1.00 3.43 N ATOM 296 CA VAL A 19 -12.044 -7.099 18.134 1.00 62.44 C ATOM 297 C VAL A 19 -12.507 -8.529 18.388 1.00 72.44 C ATOM 298 O VAL A 19 -13.654 -8.763 18.773 1.00 63.12 O ATOM 299 CB VAL A 19 -11.850 -6.896 16.619 1.00 2.32 C ATOM 300 CG1 VAL A 19 -13.047 -7.434 15.850 1.00 2.22 C ATOM 301 CG2 VAL A 19 -11.621 -5.425 16.305 1.00 70.01 C ATOM 0 H VAL A 19 -9.966 -7.110 18.406 1.00 3.43 H new ATOM 0 HA VAL A 19 -12.804 -6.404 18.492 1.00 62.44 H new ATOM 0 HB VAL A 19 -10.967 -7.453 16.305 1.00 2.32 H new ATOM 0 HG11 VAL A 19 -12.892 -7.282 14.782 1.00 2.22 H new ATOM 0 HG12 VAL A 19 -13.160 -8.499 16.052 1.00 2.22 H new ATOM 0 HG13 VAL A 19 -13.948 -6.907 16.164 1.00 2.22 H new ATOM 0 HG21 VAL A 19 -11.486 -5.299 15.231 1.00 70.01 H new ATOM 0 HG22 VAL A 19 -12.483 -4.844 16.633 1.00 70.01 H new ATOM 0 HG23 VAL A 19 -10.730 -5.076 16.826 1.00 70.01 H new ATOM 311 N LEU A 20 -11.609 -9.484 18.170 1.00 12.22 N ATOM 312 CA LEU A 20 -11.925 -10.893 18.376 1.00 31.02 C ATOM 313 C LEU A 20 -11.882 -11.250 19.859 1.00 53.44 C ATOM 314 O LEU A 20 -12.174 -12.381 20.244 1.00 0.11 O ATOM 315 CB LEU A 20 -10.946 -11.774 17.599 1.00 24.54 C ATOM 316 CG LEU A 20 -11.428 -13.188 17.274 1.00 70.43 C ATOM 317 CD1 LEU A 20 -12.892 -13.171 16.862 1.00 30.44 C ATOM 318 CD2 LEU A 20 -10.571 -13.805 16.178 1.00 73.04 C ATOM 0 H LEU A 20 -10.656 -9.308 17.851 1.00 12.22 H new ATOM 0 HA LEU A 20 -12.935 -11.071 18.008 1.00 31.02 H new ATOM 0 HB2 LEU A 20 -10.700 -11.272 16.663 1.00 24.54 H new ATOM 0 HB3 LEU A 20 -10.022 -11.849 18.173 1.00 24.54 H new ATOM 0 HG LEU A 20 -11.331 -13.800 18.171 1.00 70.43 H new ATOM 0 HD11 LEU A 20 -13.218 -14.186 16.634 1.00 30.44 H new ATOM 0 HD12 LEU A 20 -13.495 -12.771 17.677 1.00 30.44 H new ATOM 0 HD13 LEU A 20 -13.014 -12.544 15.979 1.00 30.44 H new ATOM 0 HD21 LEU A 20 -10.929 -14.811 15.960 1.00 73.04 H new ATOM 0 HD22 LEU A 20 -10.636 -13.194 15.278 1.00 73.04 H new ATOM 0 HD23 LEU A 20 -9.534 -13.853 16.510 1.00 73.04 H new ATOM 330 N GLY A 21 -11.518 -10.275 20.686 1.00 13.25 N ATOM 331 CA GLY A 21 -11.446 -10.505 22.117 1.00 32.15 C ATOM 332 C GLY A 21 -10.356 -11.490 22.492 1.00 12.40 C ATOM 333 O GLY A 21 -10.209 -12.548 21.880 1.00 2.23 O ATOM 0 H GLY A 21 -11.272 -9.330 20.391 1.00 13.25 H new ATOM 0 HA2 GLY A 21 -11.266 -9.558 22.625 1.00 32.15 H new ATOM 0 HA3 GLY A 21 -12.407 -10.879 22.471 1.00 32.15 H new ATOM 337 N PRO A 22 -9.567 -11.142 23.520 1.00 71.15 N ATOM 338 CA PRO A 22 -8.470 -11.989 23.997 1.00 32.30 C ATOM 339 C PRO A 22 -8.972 -13.255 24.683 1.00 21.31 C ATOM 340 O PRO A 22 -8.180 -14.093 25.114 1.00 72.21 O ATOM 341 CB PRO A 22 -7.739 -11.092 24.999 1.00 53.11 C ATOM 342 CG PRO A 22 -8.773 -10.127 25.467 1.00 1.23 C ATOM 343 CD PRO A 22 -9.685 -9.896 24.295 1.00 54.34 C ATOM 0 HA PRO A 22 -7.840 -12.339 23.179 1.00 32.30 H new ATOM 0 HB2 PRO A 22 -7.335 -11.672 25.828 1.00 53.11 H new ATOM 0 HB3 PRO A 22 -6.900 -10.577 24.531 1.00 53.11 H new ATOM 0 HG2 PRO A 22 -9.324 -10.528 26.317 1.00 1.23 H new ATOM 0 HG3 PRO A 22 -8.316 -9.194 25.795 1.00 1.23 H new ATOM 0 HD2 PRO A 22 -10.712 -9.717 24.614 1.00 54.34 H new ATOM 0 HD3 PRO A 22 -9.377 -9.029 23.711 1.00 54.34 H new ATOM 351 N GLN A 23 -10.291 -13.387 24.780 1.00 22.22 N ATOM 352 CA GLN A 23 -10.897 -14.552 25.415 1.00 41.14 C ATOM 353 C GLN A 23 -10.593 -15.821 24.626 1.00 61.23 C ATOM 354 O GLN A 23 -10.339 -16.878 25.205 1.00 41.44 O ATOM 355 CB GLN A 23 -12.410 -14.363 25.536 1.00 1.04 C ATOM 356 CG GLN A 23 -12.807 -13.083 26.254 1.00 34.33 C ATOM 357 CD GLN A 23 -13.403 -13.343 27.624 1.00 23.40 C ATOM 358 OE1 GLN A 23 -12.801 -13.017 28.647 1.00 0.44 O ATOM 359 NE2 GLN A 23 -14.592 -13.934 27.651 1.00 65.44 N ATOM 0 H GLN A 23 -10.960 -12.703 24.427 1.00 22.22 H new ATOM 0 HA GLN A 23 -10.470 -14.655 26.412 1.00 41.14 H new ATOM 0 HB2 GLN A 23 -12.849 -14.361 24.538 1.00 1.04 H new ATOM 0 HB3 GLN A 23 -12.833 -15.215 26.069 1.00 1.04 H new ATOM 0 HG2 GLN A 23 -11.931 -12.443 26.359 1.00 34.33 H new ATOM 0 HG3 GLN A 23 -13.529 -12.538 25.645 1.00 34.33 H new ATOM 0 HE21 GLN A 23 -15.056 -14.187 26.778 1.00 65.44 H new ATOM 0 HE22 GLN A 23 -15.042 -14.135 28.544 1.00 65.44 H new ATOM 368 N ARG A 24 -10.621 -15.710 23.302 1.00 71.14 N ATOM 369 CA ARG A 24 -10.350 -16.850 22.433 1.00 12.54 C ATOM 370 C ARG A 24 -9.386 -16.464 21.315 1.00 11.13 C ATOM 371 O ARG A 24 -9.641 -16.733 20.141 1.00 60.34 O ATOM 372 CB ARG A 24 -11.653 -17.384 21.836 1.00 12.11 C ATOM 373 CG ARG A 24 -12.619 -16.292 21.406 1.00 40.10 C ATOM 374 CD ARG A 24 -12.297 -15.782 20.010 1.00 53.10 C ATOM 375 NE ARG A 24 -13.298 -14.833 19.530 1.00 50.40 N ATOM 376 CZ ARG A 24 -14.538 -15.176 19.201 1.00 53.03 C ATOM 377 NH1 ARG A 24 -14.928 -16.439 19.300 1.00 74.34 N ATOM 378 NH2 ARG A 24 -15.391 -14.255 18.772 1.00 54.50 N ATOM 0 H ARG A 24 -10.829 -14.843 22.807 1.00 71.14 H new ATOM 0 HA ARG A 24 -9.887 -17.632 23.035 1.00 12.54 H new ATOM 0 HB2 ARG A 24 -11.418 -18.010 20.975 1.00 12.11 H new ATOM 0 HB3 ARG A 24 -12.144 -18.023 22.570 1.00 12.11 H new ATOM 0 HG2 ARG A 24 -13.638 -16.677 21.428 1.00 40.10 H new ATOM 0 HG3 ARG A 24 -12.575 -15.466 22.116 1.00 40.10 H new ATOM 0 HD2 ARG A 24 -11.317 -15.304 20.016 1.00 53.10 H new ATOM 0 HD3 ARG A 24 -12.236 -16.625 19.321 1.00 53.10 H new ATOM 0 HE ARG A 24 -13.030 -13.853 19.443 1.00 50.40 H new ATOM 0 HH11 ARG A 24 -14.275 -17.150 19.630 1.00 74.34 H new ATOM 0 HH12 ARG A 24 -15.881 -16.700 19.047 1.00 74.34 H new ATOM 0 HH21 ARG A 24 -15.095 -13.282 18.695 1.00 54.50 H new ATOM 0 HH22 ARG A 24 -16.343 -14.520 18.520 1.00 54.50 H new ATOM 392 N LEU A 25 -8.279 -15.832 21.688 1.00 42.31 N ATOM 393 CA LEU A 25 -7.276 -15.408 20.717 1.00 61.12 C ATOM 394 C LEU A 25 -6.507 -16.607 20.170 1.00 54.43 C ATOM 395 O LEU A 25 -6.416 -16.817 18.960 1.00 35.30 O ATOM 396 CB LEU A 25 -6.305 -14.414 21.357 1.00 31.42 C ATOM 397 CG LEU A 25 -5.031 -14.116 20.566 1.00 52.21 C ATOM 398 CD1 LEU A 25 -3.945 -15.125 20.903 1.00 63.24 C ATOM 399 CD2 LEU A 25 -5.319 -14.117 19.072 1.00 61.54 C ATOM 0 H LEU A 25 -8.053 -15.602 22.656 1.00 42.31 H new ATOM 0 HA LEU A 25 -7.791 -14.921 19.889 1.00 61.12 H new ATOM 0 HB2 LEU A 25 -6.834 -13.475 21.522 1.00 31.42 H new ATOM 0 HB3 LEU A 25 -6.019 -14.796 22.337 1.00 31.42 H new ATOM 0 HG LEU A 25 -4.675 -13.124 20.846 1.00 52.21 H new ATOM 0 HD11 LEU A 25 -3.046 -14.897 20.330 1.00 63.24 H new ATOM 0 HD12 LEU A 25 -3.719 -15.075 21.968 1.00 63.24 H new ATOM 0 HD13 LEU A 25 -4.290 -16.128 20.652 1.00 63.24 H new ATOM 0 HD21 LEU A 25 -4.401 -13.903 18.524 1.00 61.54 H new ATOM 0 HD22 LEU A 25 -5.699 -15.095 18.775 1.00 61.54 H new ATOM 0 HD23 LEU A 25 -6.063 -13.354 18.844 1.00 61.54 H new ATOM 411 N PRO A 26 -5.942 -17.413 21.080 1.00 31.21 N ATOM 412 CA PRO A 26 -5.174 -18.606 20.712 1.00 21.34 C ATOM 413 C PRO A 26 -6.056 -19.710 20.139 1.00 51.23 C ATOM 414 O PRO A 26 -5.560 -20.735 19.672 1.00 31.51 O ATOM 415 CB PRO A 26 -4.555 -19.052 22.039 1.00 25.32 C ATOM 416 CG PRO A 26 -5.471 -18.517 23.084 1.00 13.52 C ATOM 417 CD PRO A 26 -6.010 -17.223 22.539 1.00 40.12 C ATOM 0 HA PRO A 26 -4.441 -18.395 19.933 1.00 21.34 H new ATOM 0 HB2 PRO A 26 -4.481 -20.138 22.096 1.00 25.32 H new ATOM 0 HB3 PRO A 26 -3.546 -18.657 22.157 1.00 25.32 H new ATOM 0 HG2 PRO A 26 -6.278 -19.219 23.292 1.00 13.52 H new ATOM 0 HG3 PRO A 26 -4.940 -18.354 24.022 1.00 13.52 H new ATOM 0 HD2 PRO A 26 -7.031 -17.040 22.873 1.00 40.12 H new ATOM 0 HD3 PRO A 26 -5.412 -16.371 22.862 1.00 40.12 H new ATOM 425 N VAL A 27 -7.367 -19.493 20.176 1.00 40.31 N ATOM 426 CA VAL A 27 -8.319 -20.468 19.658 1.00 25.40 C ATOM 427 C VAL A 27 -8.166 -20.638 18.151 1.00 55.24 C ATOM 428 O VAL A 27 -8.086 -21.758 17.647 1.00 44.44 O ATOM 429 CB VAL A 27 -9.770 -20.060 19.974 1.00 44.42 C ATOM 430 CG1 VAL A 27 -10.750 -20.957 19.235 1.00 73.31 C ATOM 431 CG2 VAL A 27 -10.020 -20.103 21.474 1.00 54.14 C ATOM 0 H VAL A 27 -7.794 -18.650 20.560 1.00 40.31 H new ATOM 0 HA VAL A 27 -8.101 -21.415 20.151 1.00 25.40 H new ATOM 0 HB VAL A 27 -9.924 -19.036 19.632 1.00 44.42 H new ATOM 0 HG11 VAL A 27 -11.770 -20.653 19.471 1.00 73.31 H new ATOM 0 HG12 VAL A 27 -10.584 -20.870 18.161 1.00 73.31 H new ATOM 0 HG13 VAL A 27 -10.599 -21.992 19.543 1.00 73.31 H new ATOM 0 HG21 VAL A 27 -11.050 -19.812 21.680 1.00 54.14 H new ATOM 0 HG22 VAL A 27 -9.848 -21.114 21.843 1.00 54.14 H new ATOM 0 HG23 VAL A 27 -9.341 -19.414 21.976 1.00 54.14 H new ATOM 441 N ALA A 28 -8.128 -19.518 17.436 1.00 61.12 N ATOM 442 CA ALA A 28 -7.983 -19.542 15.986 1.00 62.24 C ATOM 443 C ALA A 28 -6.652 -20.164 15.577 1.00 22.23 C ATOM 444 O ALA A 28 -6.610 -21.084 14.760 1.00 25.12 O ATOM 445 CB ALA A 28 -8.106 -18.135 15.419 1.00 21.34 C ATOM 0 H ALA A 28 -8.196 -18.583 17.838 1.00 61.12 H new ATOM 0 HA ALA A 28 -8.783 -20.158 15.577 1.00 62.24 H new ATOM 0 HB1 ALA A 28 -7.996 -18.169 14.335 1.00 21.34 H new ATOM 0 HB2 ALA A 28 -9.084 -17.725 15.672 1.00 21.34 H new ATOM 0 HB3 ALA A 28 -7.327 -17.502 15.844 1.00 21.34 H new ATOM 451 N VAL A 29 -5.566 -19.656 16.151 1.00 45.14 N ATOM 452 CA VAL A 29 -4.232 -20.162 15.846 1.00 35.04 C ATOM 453 C VAL A 29 -4.150 -21.666 16.079 1.00 64.51 C ATOM 454 O VAL A 29 -3.774 -22.425 15.185 1.00 43.44 O ATOM 455 CB VAL A 29 -3.158 -19.462 16.700 1.00 51.15 C ATOM 456 CG1 VAL A 29 -1.765 -19.878 16.251 1.00 13.31 C ATOM 457 CG2 VAL A 29 -3.322 -17.951 16.627 1.00 63.21 C ATOM 0 H VAL A 29 -5.583 -18.895 16.830 1.00 45.14 H new ATOM 0 HA VAL A 29 -4.044 -19.949 14.794 1.00 35.04 H new ATOM 0 HB VAL A 29 -3.286 -19.769 17.738 1.00 51.15 H new ATOM 0 HG11 VAL A 29 -1.019 -19.374 16.865 1.00 13.31 H new ATOM 0 HG12 VAL A 29 -1.655 -20.957 16.359 1.00 13.31 H new ATOM 0 HG13 VAL A 29 -1.622 -19.602 15.206 1.00 13.31 H new ATOM 0 HG21 VAL A 29 -2.555 -17.472 17.236 1.00 63.21 H new ATOM 0 HG22 VAL A 29 -3.221 -17.624 15.592 1.00 63.21 H new ATOM 0 HG23 VAL A 29 -4.308 -17.674 17.000 1.00 63.21 H new ATOM 467 N LYS A 30 -4.504 -22.093 17.286 1.00 23.33 N ATOM 468 CA LYS A 30 -4.472 -23.508 17.638 1.00 2.11 C ATOM 469 C LYS A 30 -5.276 -24.335 16.640 1.00 64.11 C ATOM 470 O LYS A 30 -4.809 -25.365 16.152 1.00 45.34 O ATOM 471 CB LYS A 30 -5.024 -23.716 19.050 1.00 25.03 C ATOM 472 CG LYS A 30 -4.107 -23.195 20.144 1.00 33.41 C ATOM 473 CD LYS A 30 -3.331 -24.322 20.804 1.00 23.33 C ATOM 474 CE LYS A 30 -2.845 -23.927 22.191 1.00 73.24 C ATOM 475 NZ LYS A 30 -1.371 -24.084 22.327 1.00 3.24 N ATOM 0 H LYS A 30 -4.817 -21.479 18.038 1.00 23.33 H new ATOM 0 HA LYS A 30 -3.435 -23.841 17.607 1.00 2.11 H new ATOM 0 HB2 LYS A 30 -5.991 -23.219 19.130 1.00 25.03 H new ATOM 0 HB3 LYS A 30 -5.199 -24.780 19.210 1.00 25.03 H new ATOM 0 HG2 LYS A 30 -3.410 -22.471 19.722 1.00 33.41 H new ATOM 0 HG3 LYS A 30 -4.697 -22.670 20.895 1.00 33.41 H new ATOM 0 HD2 LYS A 30 -3.964 -25.207 20.877 1.00 23.33 H new ATOM 0 HD3 LYS A 30 -2.478 -24.591 20.181 1.00 23.33 H new ATOM 0 HE2 LYS A 30 -3.120 -22.891 22.391 1.00 73.24 H new ATOM 0 HE3 LYS A 30 -3.346 -24.540 22.940 1.00 73.24 H new ATOM 0 HZ1 LYS A 30 -1.079 -23.805 23.285 1.00 3.24 H new ATOM 0 HZ2 LYS A 30 -1.111 -25.077 22.161 1.00 3.24 H new ATOM 0 HZ3 LYS A 30 -0.892 -23.480 21.629 1.00 3.24 H new ATOM 489 N THR A 31 -6.487 -23.878 16.339 1.00 51.31 N ATOM 490 CA THR A 31 -7.355 -24.575 15.399 1.00 55.02 C ATOM 491 C THR A 31 -6.686 -24.722 14.037 1.00 20.12 C ATOM 492 O THR A 31 -6.432 -25.835 13.576 1.00 4.02 O ATOM 493 CB THR A 31 -8.697 -23.839 15.222 1.00 72.34 C ATOM 494 OG1 THR A 31 -9.502 -23.998 16.396 1.00 44.15 O ATOM 495 CG2 THR A 31 -9.449 -24.369 14.010 1.00 31.40 C ATOM 0 H THR A 31 -6.889 -23.027 16.733 1.00 51.31 H new ATOM 0 HA THR A 31 -7.543 -25.564 15.817 1.00 55.02 H new ATOM 0 HB THR A 31 -8.488 -22.781 15.066 1.00 72.34 H new ATOM 0 HG1 THR A 31 -9.242 -23.330 17.064 1.00 44.15 H new ATOM 0 HG21 THR A 31 -10.393 -23.834 13.905 1.00 31.40 H new ATOM 0 HG22 THR A 31 -8.846 -24.220 13.114 1.00 31.40 H new ATOM 0 HG23 THR A 31 -9.647 -25.433 14.141 1.00 31.40 H new ATOM 503 N VAL A 32 -6.402 -23.592 13.397 1.00 22.23 N ATOM 504 CA VAL A 32 -5.760 -23.596 12.088 1.00 4.54 C ATOM 505 C VAL A 32 -4.573 -24.552 12.061 1.00 23.01 C ATOM 506 O VAL A 32 -4.577 -25.542 11.330 1.00 31.02 O ATOM 507 CB VAL A 32 -5.278 -22.186 11.696 1.00 71.12 C ATOM 508 CG1 VAL A 32 -4.753 -22.179 10.268 1.00 23.54 C ATOM 509 CG2 VAL A 32 -6.401 -21.174 11.864 1.00 52.10 C ATOM 0 H VAL A 32 -6.606 -22.662 13.764 1.00 22.23 H new ATOM 0 HA VAL A 32 -6.508 -23.930 11.369 1.00 4.54 H new ATOM 0 HB VAL A 32 -4.461 -21.902 12.360 1.00 71.12 H new ATOM 0 HG11 VAL A 32 -4.417 -21.175 10.009 1.00 23.54 H new ATOM 0 HG12 VAL A 32 -3.918 -22.874 10.184 1.00 23.54 H new ATOM 0 HG13 VAL A 32 -5.548 -22.483 9.587 1.00 23.54 H new ATOM 0 HG21 VAL A 32 -6.043 -20.184 11.583 1.00 52.10 H new ATOM 0 HG22 VAL A 32 -7.240 -21.452 11.225 1.00 52.10 H new ATOM 0 HG23 VAL A 32 -6.726 -21.161 12.904 1.00 52.10 H new ATOM 519 N ALA A 33 -3.557 -24.249 12.863 1.00 32.31 N ATOM 520 CA ALA A 33 -2.364 -25.084 12.933 1.00 10.51 C ATOM 521 C ALA A 33 -2.716 -26.512 13.333 1.00 23.25 C ATOM 522 O ALA A 33 -1.950 -27.443 13.086 1.00 53.01 O ATOM 523 CB ALA A 33 -1.362 -24.490 13.912 1.00 20.34 C ATOM 0 H ALA A 33 -3.536 -23.432 13.473 1.00 32.31 H new ATOM 0 HA ALA A 33 -1.912 -25.114 11.941 1.00 10.51 H new ATOM 0 HB1 ALA A 33 -0.476 -25.123 13.955 1.00 20.34 H new ATOM 0 HB2 ALA A 33 -1.078 -23.491 13.581 1.00 20.34 H new ATOM 0 HB3 ALA A 33 -1.813 -24.430 14.902 1.00 20.34 H new ATOM 529 N GLY A 34 -3.879 -26.679 13.955 1.00 55.51 N ATOM 530 CA GLY A 34 -4.311 -27.997 14.380 1.00 14.05 C ATOM 531 C GLY A 34 -4.495 -28.951 13.217 1.00 53.54 C ATOM 532 O GLY A 34 -3.739 -29.910 13.066 1.00 3.22 O ATOM 0 H GLY A 34 -4.530 -25.924 14.172 1.00 55.51 H new ATOM 0 HA2 GLY A 34 -3.577 -28.410 15.072 1.00 14.05 H new ATOM 0 HA3 GLY A 34 -5.250 -27.909 14.926 1.00 14.05 H new ATOM 536 N TRP A 35 -5.503 -28.688 12.393 1.00 73.13 N ATOM 537 CA TRP A 35 -5.785 -29.532 11.237 1.00 31.00 C ATOM 538 C TRP A 35 -4.752 -29.312 10.137 1.00 30.25 C ATOM 539 O TRP A 35 -4.580 -30.156 9.258 1.00 61.25 O ATOM 540 CB TRP A 35 -7.188 -29.245 10.700 1.00 34.02 C ATOM 541 CG TRP A 35 -7.461 -27.785 10.501 1.00 42.23 C ATOM 542 CD1 TRP A 35 -7.932 -26.904 11.432 1.00 32.31 C ATOM 543 CD2 TRP A 35 -7.280 -27.036 9.294 1.00 71.54 C ATOM 544 NE1 TRP A 35 -8.055 -25.653 10.877 1.00 74.53 N ATOM 545 CE2 TRP A 35 -7.661 -25.708 9.566 1.00 2.11 C ATOM 546 CE3 TRP A 35 -6.832 -27.359 8.010 1.00 43.42 C ATOM 547 CZ2 TRP A 35 -7.607 -24.706 8.601 1.00 12.31 C ATOM 548 CZ3 TRP A 35 -6.779 -26.363 7.053 1.00 14.11 C ATOM 549 CH2 TRP A 35 -7.164 -25.049 7.353 1.00 75.33 C ATOM 0 H TRP A 35 -6.138 -27.898 12.504 1.00 73.13 H new ATOM 0 HA TRP A 35 -5.732 -30.573 11.557 1.00 31.00 H new ATOM 0 HB2 TRP A 35 -7.319 -29.764 9.751 1.00 34.02 H new ATOM 0 HB3 TRP A 35 -7.925 -29.654 11.392 1.00 34.02 H new ATOM 0 HD1 TRP A 35 -8.173 -27.154 12.455 1.00 32.31 H new ATOM 0 HE1 TRP A 35 -8.386 -24.819 11.362 1.00 74.53 H new ATOM 0 HE3 TRP A 35 -6.533 -28.369 7.770 1.00 43.42 H new ATOM 0 HZ2 TRP A 35 -7.904 -23.693 8.830 1.00 12.31 H new ATOM 0 HZ3 TRP A 35 -6.435 -26.601 6.057 1.00 14.11 H new ATOM 0 HH2 TRP A 35 -7.110 -24.293 6.584 1.00 75.33 H new ATOM 560 N ILE A 36 -4.067 -28.175 10.194 1.00 53.12 N ATOM 561 CA ILE A 36 -3.050 -27.846 9.203 1.00 72.33 C ATOM 562 C ILE A 36 -1.842 -28.767 9.329 1.00 25.42 C ATOM 563 O ILE A 36 -1.396 -29.362 8.347 1.00 2.34 O ATOM 564 CB ILE A 36 -2.584 -26.385 9.338 1.00 51.33 C ATOM 565 CG1 ILE A 36 -3.532 -25.452 8.581 1.00 60.12 C ATOM 566 CG2 ILE A 36 -1.160 -26.233 8.823 1.00 34.12 C ATOM 567 CD1 ILE A 36 -3.010 -24.039 8.447 1.00 42.24 C ATOM 0 H ILE A 36 -4.198 -27.466 10.916 1.00 53.12 H new ATOM 0 HA ILE A 36 -3.508 -27.983 8.223 1.00 72.33 H new ATOM 0 HB ILE A 36 -2.600 -26.111 10.393 1.00 51.33 H new ATOM 0 HG12 ILE A 36 -3.713 -25.860 7.586 1.00 60.12 H new ATOM 0 HG13 ILE A 36 -4.493 -25.428 9.095 1.00 60.12 H new ATOM 0 HG21 ILE A 36 -0.845 -25.195 8.925 1.00 34.12 H new ATOM 0 HG22 ILE A 36 -0.494 -26.873 9.401 1.00 34.12 H new ATOM 0 HG23 ILE A 36 -1.120 -26.523 7.773 1.00 34.12 H new ATOM 0 HD11 ILE A 36 -3.733 -23.434 7.900 1.00 42.24 H new ATOM 0 HD12 ILE A 36 -2.856 -23.612 9.438 1.00 42.24 H new ATOM 0 HD13 ILE A 36 -2.064 -24.050 7.906 1.00 42.24 H new ATOM 579 N ARG A 37 -1.317 -28.882 10.545 1.00 64.23 N ATOM 580 CA ARG A 37 -0.160 -29.732 10.800 1.00 3.31 C ATOM 581 C ARG A 37 -0.543 -31.207 10.734 1.00 72.12 C ATOM 582 O ARG A 37 0.239 -32.042 10.280 1.00 32.25 O ATOM 583 CB ARG A 37 0.443 -29.411 12.169 1.00 34.44 C ATOM 584 CG ARG A 37 1.908 -29.793 12.294 1.00 25.35 C ATOM 585 CD ARG A 37 2.776 -28.996 11.333 1.00 11.43 C ATOM 586 NE ARG A 37 4.162 -28.914 11.786 1.00 30.01 N ATOM 587 CZ ARG A 37 5.168 -28.533 11.007 1.00 2.11 C ATOM 588 NH1 ARG A 37 4.944 -28.200 9.744 1.00 54.14 N ATOM 589 NH2 ARG A 37 6.402 -28.484 11.492 1.00 4.10 N ATOM 0 H ARG A 37 -1.674 -28.398 11.368 1.00 64.23 H new ATOM 0 HA ARG A 37 0.583 -29.533 10.027 1.00 3.31 H new ATOM 0 HB2 ARG A 37 0.337 -28.343 12.362 1.00 34.44 H new ATOM 0 HB3 ARG A 37 -0.126 -29.932 12.939 1.00 34.44 H new ATOM 0 HG2 ARG A 37 2.244 -29.622 13.317 1.00 25.35 H new ATOM 0 HG3 ARG A 37 2.026 -30.858 12.094 1.00 25.35 H new ATOM 0 HD2 ARG A 37 2.744 -29.459 10.347 1.00 11.43 H new ATOM 0 HD3 ARG A 37 2.369 -27.990 11.226 1.00 11.43 H new ATOM 0 HE ARG A 37 4.369 -29.163 12.753 1.00 30.01 H new ATOM 0 HH11 ARG A 37 3.997 -28.236 9.367 1.00 54.14 H new ATOM 0 HH12 ARG A 37 5.719 -27.908 9.148 1.00 54.14 H new ATOM 0 HH21 ARG A 37 6.579 -28.739 12.464 1.00 4.10 H new ATOM 0 HH22 ARG A 37 7.174 -28.191 10.893 1.00 4.10 H new ATOM 603 N ALA A 38 -1.752 -31.520 11.189 1.00 21.04 N ATOM 604 CA ALA A 38 -2.240 -32.894 11.180 1.00 4.44 C ATOM 605 C ALA A 38 -2.335 -33.433 9.757 1.00 14.22 C ATOM 606 O ALA A 38 -1.792 -34.494 9.446 1.00 11.34 O ATOM 607 CB ALA A 38 -3.593 -32.978 11.871 1.00 42.41 C ATOM 0 H ALA A 38 -2.412 -30.841 11.568 1.00 21.04 H new ATOM 0 HA ALA A 38 -1.527 -33.511 11.727 1.00 4.44 H new ATOM 0 HB1 ALA A 38 -3.945 -34.009 11.857 1.00 42.41 H new ATOM 0 HB2 ALA A 38 -3.496 -32.642 12.903 1.00 42.41 H new ATOM 0 HB3 ALA A 38 -4.308 -32.343 11.348 1.00 42.41 H new ATOM 613 N LEU A 39 -3.030 -32.697 8.896 1.00 2.04 N ATOM 614 CA LEU A 39 -3.197 -33.102 7.505 1.00 55.11 C ATOM 615 C LEU A 39 -1.864 -33.071 6.764 1.00 33.44 C ATOM 616 O LEU A 39 -1.572 -33.952 5.955 1.00 54.42 O ATOM 617 CB LEU A 39 -4.204 -32.187 6.805 1.00 62.02 C ATOM 618 CG LEU A 39 -3.687 -30.806 6.401 1.00 14.41 C ATOM 619 CD1 LEU A 39 -3.049 -30.856 5.022 1.00 71.43 C ATOM 620 CD2 LEU A 39 -4.815 -29.785 6.432 1.00 55.44 C ATOM 0 H LEU A 39 -3.487 -31.817 9.137 1.00 2.04 H new ATOM 0 HA LEU A 39 -3.574 -34.125 7.493 1.00 55.11 H new ATOM 0 HB2 LEU A 39 -4.565 -32.694 5.910 1.00 62.02 H new ATOM 0 HB3 LEU A 39 -5.062 -32.053 7.463 1.00 62.02 H new ATOM 0 HG LEU A 39 -2.926 -30.500 7.119 1.00 14.41 H new ATOM 0 HD11 LEU A 39 -2.687 -29.864 4.752 1.00 71.43 H new ATOM 0 HD12 LEU A 39 -2.214 -31.556 5.033 1.00 71.43 H new ATOM 0 HD13 LEU A 39 -3.788 -31.184 4.291 1.00 71.43 H new ATOM 0 HD21 LEU A 39 -4.429 -28.808 6.142 1.00 55.44 H new ATOM 0 HD22 LEU A 39 -5.598 -30.087 5.737 1.00 55.44 H new ATOM 0 HD23 LEU A 39 -5.227 -29.728 7.440 1.00 55.44 H new ATOM 632 N ARG A 40 -1.058 -32.054 7.049 1.00 14.31 N ATOM 633 CA ARG A 40 0.244 -31.909 6.411 1.00 64.21 C ATOM 634 C ARG A 40 1.141 -33.102 6.729 1.00 72.43 C ATOM 635 O ARG A 40 1.615 -33.793 5.827 1.00 40.03 O ATOM 636 CB ARG A 40 0.919 -30.615 6.868 1.00 3.31 C ATOM 637 CG ARG A 40 2.168 -30.266 6.075 1.00 25.24 C ATOM 638 CD ARG A 40 2.443 -28.771 6.098 1.00 42.34 C ATOM 639 NE ARG A 40 3.635 -28.422 5.329 1.00 52.42 N ATOM 640 CZ ARG A 40 4.874 -28.663 5.743 1.00 14.43 C ATOM 641 NH1 ARG A 40 5.082 -29.251 6.913 1.00 1.01 N ATOM 642 NH2 ARG A 40 5.907 -28.315 4.987 1.00 60.41 N ATOM 0 H ARG A 40 -1.284 -31.318 7.718 1.00 14.31 H new ATOM 0 HA ARG A 40 0.089 -31.869 5.333 1.00 64.21 H new ATOM 0 HB2 ARG A 40 0.206 -29.795 6.786 1.00 3.31 H new ATOM 0 HB3 ARG A 40 1.182 -30.705 7.922 1.00 3.31 H new ATOM 0 HG2 ARG A 40 3.023 -30.801 6.488 1.00 25.24 H new ATOM 0 HG3 ARG A 40 2.051 -30.600 5.044 1.00 25.24 H new ATOM 0 HD2 ARG A 40 1.582 -28.238 5.694 1.00 42.34 H new ATOM 0 HD3 ARG A 40 2.567 -28.441 7.129 1.00 42.34 H new ATOM 0 HE ARG A 40 3.509 -27.968 4.424 1.00 52.42 H new ATOM 0 HH11 ARG A 40 4.290 -29.519 7.497 1.00 1.01 H new ATOM 0 HH12 ARG A 40 6.034 -29.435 7.229 1.00 1.01 H new ATOM 0 HH21 ARG A 40 5.750 -27.862 4.087 1.00 60.41 H new ATOM 0 HH22 ARG A 40 6.858 -28.501 5.306 1.00 60.41 H new ATOM 656 N SER A 41 1.369 -33.338 8.017 1.00 70.22 N ATOM 657 CA SER A 41 2.212 -34.445 8.454 1.00 71.03 C ATOM 658 C SER A 41 1.697 -35.771 7.902 1.00 53.10 C ATOM 659 O SER A 41 2.474 -36.613 7.451 1.00 21.55 O ATOM 660 CB SER A 41 2.264 -34.501 9.982 1.00 65.44 C ATOM 661 OG SER A 41 1.126 -35.161 10.507 1.00 14.11 O ATOM 0 H SER A 41 0.982 -32.778 8.776 1.00 70.22 H new ATOM 0 HA SER A 41 3.218 -34.278 8.069 1.00 71.03 H new ATOM 0 HB2 SER A 41 3.168 -35.020 10.299 1.00 65.44 H new ATOM 0 HB3 SER A 41 2.320 -33.490 10.384 1.00 65.44 H new ATOM 0 HG SER A 41 1.184 -35.185 11.485 1.00 14.11 H new ATOM 667 N LEU A 42 0.381 -35.949 7.941 1.00 51.04 N ATOM 668 CA LEU A 42 -0.241 -37.172 7.445 1.00 65.22 C ATOM 669 C LEU A 42 0.024 -37.352 5.953 1.00 3.44 C ATOM 670 O LEU A 42 0.437 -38.423 5.511 1.00 44.13 O ATOM 671 CB LEU A 42 -1.747 -37.145 7.707 1.00 13.31 C ATOM 672 CG LEU A 42 -2.210 -37.765 9.026 1.00 14.50 C ATOM 673 CD1 LEU A 42 -3.621 -37.307 9.365 1.00 64.03 C ATOM 674 CD2 LEU A 42 -2.143 -39.283 8.954 1.00 31.14 C ATOM 0 H LEU A 42 -0.276 -35.262 8.311 1.00 51.04 H new ATOM 0 HA LEU A 42 0.199 -38.015 7.978 1.00 65.22 H new ATOM 0 HB2 LEU A 42 -2.082 -36.108 7.679 1.00 13.31 H new ATOM 0 HB3 LEU A 42 -2.247 -37.664 6.889 1.00 13.31 H new ATOM 0 HG LEU A 42 -1.541 -37.429 9.818 1.00 14.50 H new ATOM 0 HD11 LEU A 42 -3.934 -37.758 10.307 1.00 64.03 H new ATOM 0 HD12 LEU A 42 -3.638 -36.221 9.460 1.00 64.03 H new ATOM 0 HD13 LEU A 42 -4.303 -37.613 8.572 1.00 64.03 H new ATOM 0 HD21 LEU A 42 -2.476 -39.707 9.901 1.00 31.14 H new ATOM 0 HD22 LEU A 42 -2.788 -39.638 8.151 1.00 31.14 H new ATOM 0 HD23 LEU A 42 -1.116 -39.593 8.759 1.00 31.14 H new ATOM 686 N ALA A 43 -0.215 -36.295 5.184 1.00 45.41 N ATOM 687 CA ALA A 43 0.002 -36.334 3.743 1.00 23.10 C ATOM 688 C ALA A 43 1.411 -36.816 3.413 1.00 52.12 C ATOM 689 O ALA A 43 1.590 -37.841 2.754 1.00 13.00 O ATOM 690 CB ALA A 43 -0.244 -34.962 3.134 1.00 14.44 C ATOM 0 H ALA A 43 -0.559 -35.401 5.535 1.00 45.41 H new ATOM 0 HA ALA A 43 -0.707 -37.042 3.313 1.00 23.10 H new ATOM 0 HB1 ALA A 43 -0.078 -35.007 2.058 1.00 14.44 H new ATOM 0 HB2 ALA A 43 -1.271 -34.656 3.330 1.00 14.44 H new ATOM 0 HB3 ALA A 43 0.441 -34.239 3.577 1.00 14.44 H new ATOM 696 N THR A 44 2.410 -36.070 3.874 1.00 50.22 N ATOM 697 CA THR A 44 3.803 -36.420 3.626 1.00 52.22 C ATOM 698 C THR A 44 4.109 -37.833 4.109 1.00 40.15 C ATOM 699 O THR A 44 4.902 -38.551 3.499 1.00 41.04 O ATOM 700 CB THR A 44 4.762 -35.434 4.319 1.00 51.32 C ATOM 701 OG1 THR A 44 5.730 -34.950 3.381 1.00 74.24 O ATOM 702 CG2 THR A 44 5.471 -36.100 5.488 1.00 13.24 C ATOM 0 H THR A 44 2.280 -35.219 4.421 1.00 50.22 H new ATOM 0 HA THR A 44 3.955 -36.366 2.548 1.00 52.22 H new ATOM 0 HB THR A 44 4.175 -34.598 4.699 1.00 51.32 H new ATOM 0 HG1 THR A 44 6.519 -35.531 3.396 1.00 74.24 H new ATOM 0 HG21 THR A 44 6.143 -35.384 5.962 1.00 13.24 H new ATOM 0 HG22 THR A 44 4.733 -36.441 6.214 1.00 13.24 H new ATOM 0 HG23 THR A 44 6.046 -36.953 5.127 1.00 13.24 H new ATOM 710 N THR A 45 3.475 -38.228 5.208 1.00 32.31 N ATOM 711 CA THR A 45 3.680 -39.556 5.773 1.00 12.12 C ATOM 712 C THR A 45 3.230 -40.642 4.803 1.00 51.03 C ATOM 713 O THR A 45 3.766 -41.750 4.803 1.00 30.25 O ATOM 714 CB THR A 45 2.920 -39.724 7.102 1.00 31.24 C ATOM 715 OG1 THR A 45 3.495 -38.879 8.106 1.00 74.44 O ATOM 716 CG2 THR A 45 2.959 -41.172 7.568 1.00 14.23 C ATOM 0 H THR A 45 2.815 -37.647 5.725 1.00 32.31 H new ATOM 0 HA THR A 45 4.749 -39.659 5.958 1.00 12.12 H new ATOM 0 HB THR A 45 1.881 -39.439 6.939 1.00 31.24 H new ATOM 0 HG1 THR A 45 3.056 -38.003 8.087 1.00 74.44 H new ATOM 0 HG21 THR A 45 2.416 -41.266 8.508 1.00 14.23 H new ATOM 0 HG22 THR A 45 2.495 -41.809 6.815 1.00 14.23 H new ATOM 0 HG23 THR A 45 3.994 -41.479 7.715 1.00 14.23 H new ATOM 724 N VAL A 46 2.242 -40.317 3.974 1.00 23.05 N ATOM 725 CA VAL A 46 1.721 -41.265 2.997 1.00 43.12 C ATOM 726 C VAL A 46 2.185 -40.912 1.588 1.00 11.10 C ATOM 727 O VAL A 46 1.698 -41.471 0.606 1.00 54.00 O ATOM 728 CB VAL A 46 0.182 -41.309 3.023 1.00 71.02 C ATOM 729 CG1 VAL A 46 -0.333 -41.160 4.446 1.00 3.24 C ATOM 730 CG2 VAL A 46 -0.397 -40.229 2.122 1.00 41.41 C ATOM 0 H VAL A 46 1.787 -39.404 3.960 1.00 23.05 H new ATOM 0 HA VAL A 46 2.109 -42.246 3.269 1.00 43.12 H new ATOM 0 HB VAL A 46 -0.143 -42.278 2.645 1.00 71.02 H new ATOM 0 HG11 VAL A 46 -1.422 -41.193 4.444 1.00 3.24 H new ATOM 0 HG12 VAL A 46 0.054 -41.973 5.060 1.00 3.24 H new ATOM 0 HG13 VAL A 46 -0.000 -40.206 4.855 1.00 3.24 H new ATOM 0 HG21 VAL A 46 -1.486 -40.275 2.153 1.00 41.41 H new ATOM 0 HG22 VAL A 46 -0.065 -39.250 2.468 1.00 41.41 H new ATOM 0 HG23 VAL A 46 -0.056 -40.387 1.099 1.00 41.41 H new ATOM 740 N GLN A 47 3.130 -39.981 1.498 1.00 74.34 N ATOM 741 CA GLN A 47 3.659 -39.554 0.208 1.00 10.30 C ATOM 742 C GLN A 47 5.153 -39.843 0.110 1.00 3.32 C ATOM 743 O GLN A 47 5.661 -40.184 -0.957 1.00 54.13 O ATOM 744 CB GLN A 47 3.401 -38.061 -0.003 1.00 43.22 C ATOM 745 CG GLN A 47 1.952 -37.733 -0.326 1.00 64.21 C ATOM 746 CD GLN A 47 1.817 -36.560 -1.277 1.00 62.40 C ATOM 747 OE1 GLN A 47 2.001 -36.702 -2.486 1.00 64.32 O ATOM 748 NE2 GLN A 47 1.493 -35.392 -0.735 1.00 25.44 N ATOM 0 H GLN A 47 3.544 -39.509 2.302 1.00 74.34 H new ATOM 0 HA GLN A 47 3.147 -40.118 -0.572 1.00 10.30 H new ATOM 0 HB2 GLN A 47 3.696 -37.519 0.896 1.00 43.22 H new ATOM 0 HB3 GLN A 47 4.035 -37.702 -0.814 1.00 43.22 H new ATOM 0 HG2 GLN A 47 1.474 -38.609 -0.765 1.00 64.21 H new ATOM 0 HG3 GLN A 47 1.419 -37.510 0.598 1.00 64.21 H new ATOM 0 HE21 GLN A 47 1.350 -35.319 0.272 1.00 25.44 H new ATOM 0 HE22 GLN A 47 1.387 -34.567 -1.326 1.00 25.44 H new ATOM 757 N ASN A 48 5.853 -39.703 1.232 1.00 73.12 N ATOM 758 CA ASN A 48 7.290 -39.948 1.272 1.00 73.41 C ATOM 759 C ASN A 48 7.594 -41.297 1.918 1.00 13.53 C ATOM 760 O ASN A 48 8.685 -41.511 2.444 1.00 21.22 O ATOM 761 CB ASN A 48 7.998 -38.831 2.040 1.00 13.43 C ATOM 762 CG ASN A 48 7.137 -37.590 2.180 1.00 52.12 C ATOM 763 OD1 ASN A 48 7.069 -36.985 3.250 1.00 73.20 O ATOM 764 ND2 ASN A 48 6.474 -37.205 1.095 1.00 10.04 N ATOM 0 H ASN A 48 5.448 -39.421 2.125 1.00 73.12 H new ATOM 0 HA ASN A 48 7.659 -39.965 0.247 1.00 73.41 H new ATOM 0 HB2 ASN A 48 8.273 -39.193 3.031 1.00 13.43 H new ATOM 0 HB3 ASN A 48 8.924 -38.571 1.527 1.00 13.43 H new ATOM 0 HD21 ASN A 48 5.879 -36.377 1.128 1.00 10.04 H new ATOM 0 HD22 ASN A 48 6.560 -37.737 0.229 1.00 10.04 H new ATOM 771 N GLU A 49 6.620 -42.201 1.874 1.00 43.12 N ATOM 772 CA GLU A 49 6.784 -43.528 2.455 1.00 4.04 C ATOM 773 C GLU A 49 6.206 -44.600 1.537 1.00 74.15 C ATOM 774 O GLU A 49 6.822 -44.978 0.540 1.00 62.54 O ATOM 775 CB GLU A 49 6.107 -43.596 3.826 1.00 44.31 C ATOM 776 CG GLU A 49 6.778 -42.730 4.879 1.00 12.13 C ATOM 777 CD GLU A 49 8.003 -43.389 5.483 1.00 41.24 C ATOM 778 OE1 GLU A 49 7.839 -44.227 6.394 1.00 51.15 O ATOM 779 OE2 GLU A 49 9.127 -43.066 5.043 1.00 54.11 O ATOM 0 H GLU A 49 5.710 -42.039 1.442 1.00 43.12 H new ATOM 0 HA GLU A 49 7.851 -43.714 2.575 1.00 4.04 H new ATOM 0 HB2 GLU A 49 5.066 -43.288 3.724 1.00 44.31 H new ATOM 0 HB3 GLU A 49 6.101 -44.631 4.168 1.00 44.31 H new ATOM 0 HG2 GLU A 49 7.065 -41.778 4.432 1.00 12.13 H new ATOM 0 HG3 GLU A 49 6.062 -42.507 5.671 1.00 12.13 H new ATOM 786 N LEU A 50 5.018 -45.086 1.879 1.00 32.14 N ATOM 787 CA LEU A 50 4.354 -46.115 1.086 1.00 25.45 C ATOM 788 C LEU A 50 4.196 -45.669 -0.363 1.00 45.53 C ATOM 789 O LEU A 50 4.186 -46.490 -1.281 1.00 21.23 O ATOM 790 CB LEU A 50 2.985 -46.443 1.683 1.00 33.03 C ATOM 791 CG LEU A 50 2.877 -46.353 3.206 1.00 61.30 C ATOM 792 CD1 LEU A 50 4.155 -46.852 3.862 1.00 64.03 C ATOM 793 CD2 LEU A 50 2.577 -44.925 3.636 1.00 0.22 C ATOM 0 H LEU A 50 4.494 -44.784 2.701 1.00 32.14 H new ATOM 0 HA LEU A 50 4.975 -47.010 1.105 1.00 25.45 H new ATOM 0 HB2 LEU A 50 2.249 -45.768 1.246 1.00 33.03 H new ATOM 0 HB3 LEU A 50 2.711 -47.453 1.379 1.00 33.03 H new ATOM 0 HG LEU A 50 2.054 -46.989 3.531 1.00 61.30 H new ATOM 0 HD11 LEU A 50 4.060 -46.780 4.945 1.00 64.03 H new ATOM 0 HD12 LEU A 50 4.327 -47.891 3.581 1.00 64.03 H new ATOM 0 HD13 LEU A 50 4.996 -46.243 3.531 1.00 64.03 H new ATOM 0 HD21 LEU A 50 2.504 -44.880 4.723 1.00 0.22 H new ATOM 0 HD22 LEU A 50 3.378 -44.268 3.299 1.00 0.22 H new ATOM 0 HD23 LEU A 50 1.634 -44.603 3.195 1.00 0.22 H new ATOM 805 N THR A 51 4.076 -44.360 -0.564 1.00 55.11 N ATOM 806 CA THR A 51 3.919 -43.803 -1.902 1.00 24.11 C ATOM 807 C THR A 51 4.990 -44.335 -2.847 1.00 44.13 C ATOM 808 O THR A 51 4.828 -44.298 -4.067 1.00 11.14 O ATOM 809 CB THR A 51 3.987 -42.264 -1.881 1.00 70.44 C ATOM 810 OG1 THR A 51 2.666 -41.715 -1.940 1.00 71.12 O ATOM 811 CG2 THR A 51 4.811 -41.743 -3.049 1.00 73.33 C ATOM 0 H THR A 51 4.085 -43.666 0.183 1.00 55.11 H new ATOM 0 HA THR A 51 2.937 -44.111 -2.260 1.00 24.11 H new ATOM 0 HB THR A 51 4.467 -41.956 -0.952 1.00 70.44 H new ATOM 0 HG1 THR A 51 2.260 -41.743 -1.048 1.00 71.12 H new ATOM 0 HG21 THR A 51 4.845 -40.654 -3.013 1.00 73.33 H new ATOM 0 HG22 THR A 51 5.824 -42.140 -2.985 1.00 73.33 H new ATOM 0 HG23 THR A 51 4.355 -42.061 -3.987 1.00 73.33 H new ATOM 819 N GLN A 52 6.084 -44.829 -2.277 1.00 22.53 N ATOM 820 CA GLN A 52 7.182 -45.369 -3.070 1.00 71.03 C ATOM 821 C GLN A 52 7.515 -46.794 -2.640 1.00 45.25 C ATOM 822 O GLN A 52 8.653 -47.243 -2.778 1.00 52.12 O ATOM 823 CB GLN A 52 8.420 -44.481 -2.938 1.00 10.55 C ATOM 824 CG GLN A 52 9.334 -44.879 -1.790 1.00 44.33 C ATOM 825 CD GLN A 52 9.557 -43.750 -0.803 1.00 64.10 C ATOM 826 OE1 GLN A 52 9.806 -42.609 -1.193 1.00 13.21 O ATOM 827 NE2 GLN A 52 9.470 -44.063 0.484 1.00 33.54 N ATOM 0 H GLN A 52 6.234 -44.867 -1.269 1.00 22.53 H new ATOM 0 HA GLN A 52 6.868 -45.388 -4.113 1.00 71.03 H new ATOM 0 HB2 GLN A 52 8.984 -44.517 -3.870 1.00 10.55 H new ATOM 0 HB3 GLN A 52 8.103 -43.448 -2.797 1.00 10.55 H new ATOM 0 HG2 GLN A 52 8.904 -45.733 -1.268 1.00 44.33 H new ATOM 0 HG3 GLN A 52 10.295 -45.201 -2.191 1.00 44.33 H new ATOM 0 HE21 GLN A 52 9.262 -45.022 0.763 1.00 33.54 H new ATOM 0 HE22 GLN A 52 9.612 -43.345 1.194 1.00 33.54 H new ATOM 836 N GLU A 53 6.516 -47.499 -2.119 1.00 42.31 N ATOM 837 CA GLU A 53 6.705 -48.872 -1.668 1.00 63.51 C ATOM 838 C GLU A 53 5.413 -49.672 -1.804 1.00 31.44 C ATOM 839 O GLU A 53 5.423 -50.818 -2.256 1.00 52.14 O ATOM 840 CB GLU A 53 7.182 -48.894 -0.214 1.00 75.42 C ATOM 841 CG GLU A 53 7.357 -50.295 0.348 1.00 71.22 C ATOM 842 CD GLU A 53 8.511 -51.041 -0.294 1.00 0.23 C ATOM 843 OE1 GLU A 53 9.401 -50.377 -0.866 1.00 12.33 O ATOM 844 OE2 GLU A 53 8.525 -52.287 -0.224 1.00 74.42 O ATOM 0 H GLU A 53 5.568 -47.142 -1.999 1.00 42.31 H new ATOM 0 HA GLU A 53 7.465 -49.333 -2.299 1.00 63.51 H new ATOM 0 HB2 GLU A 53 8.131 -48.362 -0.144 1.00 75.42 H new ATOM 0 HB3 GLU A 53 6.466 -48.351 0.403 1.00 75.42 H new ATOM 0 HG2 GLU A 53 7.523 -50.233 1.424 1.00 71.22 H new ATOM 0 HG3 GLU A 53 6.437 -50.860 0.199 1.00 71.22 H new ATOM 851 N LEU A 54 4.302 -49.061 -1.408 1.00 32.33 N ATOM 852 CA LEU A 54 3.000 -49.716 -1.484 1.00 1.51 C ATOM 853 C LEU A 54 1.948 -48.769 -2.052 1.00 74.35 C ATOM 854 O LEU A 54 1.115 -49.167 -2.868 1.00 10.22 O ATOM 855 CB LEU A 54 2.570 -50.202 -0.099 1.00 20.02 C ATOM 856 CG LEU A 54 1.184 -50.843 -0.013 1.00 4.10 C ATOM 857 CD1 LEU A 54 0.102 -49.775 0.002 1.00 1.42 C ATOM 858 CD2 LEU A 54 0.970 -51.806 -1.171 1.00 75.14 C ATOM 0 H LEU A 54 4.276 -48.114 -1.031 1.00 32.33 H new ATOM 0 HA LEU A 54 3.090 -50.573 -2.151 1.00 1.51 H new ATOM 0 HB2 LEU A 54 3.305 -50.925 0.255 1.00 20.02 H new ATOM 0 HB3 LEU A 54 2.600 -49.355 0.587 1.00 20.02 H new ATOM 0 HG LEU A 54 1.122 -51.406 0.918 1.00 4.10 H new ATOM 0 HD11 LEU A 54 -0.877 -50.250 0.063 1.00 1.42 H new ATOM 0 HD12 LEU A 54 0.245 -49.125 0.865 1.00 1.42 H new ATOM 0 HD13 LEU A 54 0.162 -49.184 -0.912 1.00 1.42 H new ATOM 0 HD21 LEU A 54 -0.021 -52.253 -1.094 1.00 75.14 H new ATOM 0 HD22 LEU A 54 1.052 -51.265 -2.114 1.00 75.14 H new ATOM 0 HD23 LEU A 54 1.726 -52.591 -1.136 1.00 75.14 H new ATOM 870 N LYS A 55 1.992 -47.514 -1.619 1.00 33.24 N ATOM 871 CA LYS A 55 1.045 -46.509 -2.086 1.00 52.22 C ATOM 872 C LYS A 55 1.549 -45.837 -3.360 1.00 34.52 C ATOM 873 O LYS A 55 1.251 -44.670 -3.618 1.00 23.30 O ATOM 874 CB LYS A 55 0.810 -45.456 -1.001 1.00 12.13 C ATOM 875 CG LYS A 55 -0.130 -44.342 -1.427 1.00 41.45 C ATOM 876 CD LYS A 55 -1.317 -44.223 -0.487 1.00 14.40 C ATOM 877 CE LYS A 55 -0.871 -43.988 0.948 1.00 64.50 C ATOM 878 NZ LYS A 55 -1.181 -45.153 1.822 1.00 24.25 N ATOM 0 H LYS A 55 2.674 -47.168 -0.944 1.00 33.24 H new ATOM 0 HA LYS A 55 0.103 -47.010 -2.308 1.00 52.22 H new ATOM 0 HB2 LYS A 55 0.403 -45.944 -0.115 1.00 12.13 H new ATOM 0 HB3 LYS A 55 1.768 -45.022 -0.714 1.00 12.13 H new ATOM 0 HG2 LYS A 55 0.412 -43.397 -1.451 1.00 41.45 H new ATOM 0 HG3 LYS A 55 -0.485 -44.532 -2.440 1.00 41.45 H new ATOM 0 HD2 LYS A 55 -1.957 -43.401 -0.809 1.00 14.40 H new ATOM 0 HD3 LYS A 55 -1.916 -45.132 -0.539 1.00 14.40 H new ATOM 0 HE2 LYS A 55 0.201 -43.794 0.968 1.00 64.50 H new ATOM 0 HE3 LYS A 55 -1.363 -43.098 1.340 1.00 64.50 H new ATOM 0 HZ1 LYS A 55 -0.391 -45.314 2.479 1.00 24.25 H new ATOM 0 HZ2 LYS A 55 -2.047 -44.960 2.364 1.00 24.25 H new ATOM 0 HZ3 LYS A 55 -1.322 -46.000 1.235 1.00 24.25 H new ATOM 892 N LEU A 56 2.311 -46.582 -4.153 1.00 41.43 N ATOM 893 CA LEU A 56 2.855 -46.059 -5.402 1.00 1.42 C ATOM 894 C LEU A 56 1.861 -46.235 -6.545 1.00 51.11 C ATOM 895 O LEU A 56 2.160 -45.913 -7.695 1.00 12.44 O ATOM 896 CB LEU A 56 4.171 -46.761 -5.742 1.00 34.32 C ATOM 897 CG LEU A 56 4.258 -48.241 -5.365 1.00 41.32 C ATOM 898 CD1 LEU A 56 2.953 -48.952 -5.687 1.00 50.35 C ATOM 899 CD2 LEU A 56 5.422 -48.906 -6.085 1.00 60.30 C ATOM 0 H LEU A 56 2.566 -47.549 -3.954 1.00 41.43 H new ATOM 0 HA LEU A 56 3.043 -44.993 -5.270 1.00 1.42 H new ATOM 0 HB2 LEU A 56 4.342 -46.669 -6.814 1.00 34.32 H new ATOM 0 HB3 LEU A 56 4.982 -46.231 -5.243 1.00 34.32 H new ATOM 0 HG LEU A 56 4.431 -48.314 -4.291 1.00 41.32 H new ATOM 0 HD11 LEU A 56 3.034 -50.004 -5.412 1.00 50.35 H new ATOM 0 HD12 LEU A 56 2.140 -48.492 -5.126 1.00 50.35 H new ATOM 0 HD13 LEU A 56 2.748 -48.871 -6.755 1.00 50.35 H new ATOM 0 HD21 LEU A 56 5.469 -49.958 -5.805 1.00 60.30 H new ATOM 0 HD22 LEU A 56 5.279 -48.823 -7.162 1.00 60.30 H new ATOM 0 HD23 LEU A 56 6.353 -48.414 -5.804 1.00 60.30 H new ATOM 911 N GLN A 57 0.678 -46.746 -6.220 1.00 70.42 N ATOM 912 CA GLN A 57 -0.361 -46.964 -7.220 1.00 45.44 C ATOM 913 C GLN A 57 -1.606 -46.144 -6.899 1.00 20.21 C ATOM 914 O GLN A 57 -2.147 -45.456 -7.763 1.00 73.04 O ATOM 915 CB GLN A 57 -0.719 -48.449 -7.300 1.00 10.52 C ATOM 916 CG GLN A 57 -0.564 -49.038 -8.692 1.00 71.24 C ATOM 917 CD GLN A 57 0.801 -49.658 -8.915 1.00 21.40 C ATOM 918 OE1 GLN A 57 0.916 -50.755 -9.463 1.00 34.33 O ATOM 919 NE2 GLN A 57 1.846 -48.958 -8.491 1.00 3.25 N ATOM 0 H GLN A 57 0.415 -47.017 -5.272 1.00 70.42 H new ATOM 0 HA GLN A 57 0.026 -46.639 -8.186 1.00 45.44 H new ATOM 0 HB2 GLN A 57 -0.087 -49.004 -6.607 1.00 10.52 H new ATOM 0 HB3 GLN A 57 -1.749 -48.584 -6.970 1.00 10.52 H new ATOM 0 HG2 GLN A 57 -1.333 -49.795 -8.850 1.00 71.24 H new ATOM 0 HG3 GLN A 57 -0.729 -48.256 -9.434 1.00 71.24 H new ATOM 0 HE21 GLN A 57 1.705 -48.053 -8.042 1.00 3.25 H new ATOM 0 HE22 GLN A 57 2.790 -49.325 -8.614 1.00 3.25 H new ATOM 928 N GLU A 58 -2.055 -46.224 -5.650 1.00 42.01 N ATOM 929 CA GLU A 58 -3.238 -45.490 -5.216 1.00 24.02 C ATOM 930 C GLU A 58 -3.210 -44.056 -5.738 1.00 33.34 C ATOM 931 O GLU A 58 -4.152 -43.603 -6.388 1.00 42.45 O ATOM 932 CB GLU A 58 -3.331 -45.487 -3.689 1.00 10.14 C ATOM 933 CG GLU A 58 -4.737 -45.247 -3.165 1.00 72.42 C ATOM 934 CD GLU A 58 -4.979 -43.800 -2.783 1.00 50.04 C ATOM 935 OE1 GLU A 58 -4.506 -42.907 -3.517 1.00 53.42 O ATOM 936 OE2 GLU A 58 -5.640 -43.560 -1.752 1.00 31.44 O ATOM 0 H GLU A 58 -1.618 -46.789 -4.922 1.00 42.01 H new ATOM 0 HA GLU A 58 -4.116 -45.990 -5.625 1.00 24.02 H new ATOM 0 HB2 GLU A 58 -2.969 -46.443 -3.310 1.00 10.14 H new ATOM 0 HB3 GLU A 58 -2.669 -44.716 -3.295 1.00 10.14 H new ATOM 0 HG2 GLU A 58 -5.459 -45.544 -3.925 1.00 72.42 H new ATOM 0 HG3 GLU A 58 -4.910 -45.882 -2.296 1.00 72.42 H new ATOM 943 N PHE A 59 -2.124 -43.348 -5.447 1.00 14.44 N ATOM 944 CA PHE A 59 -1.974 -41.965 -5.884 1.00 40.24 C ATOM 945 C PHE A 59 -2.091 -41.859 -7.402 1.00 65.12 C ATOM 946 O PHE A 59 -2.695 -40.923 -7.924 1.00 74.12 O ATOM 947 CB PHE A 59 -0.626 -41.406 -5.425 1.00 3.00 C ATOM 948 CG PHE A 59 -0.692 -40.686 -4.108 1.00 73.33 C ATOM 949 CD1 PHE A 59 -0.557 -41.381 -2.917 1.00 14.42 C ATOM 950 CD2 PHE A 59 -0.889 -39.316 -4.062 1.00 53.31 C ATOM 951 CE1 PHE A 59 -0.619 -40.721 -1.704 1.00 12.11 C ATOM 952 CE2 PHE A 59 -0.951 -38.650 -2.852 1.00 74.41 C ATOM 953 CZ PHE A 59 -0.815 -39.354 -1.672 1.00 12.05 C ATOM 0 H PHE A 59 -1.335 -43.709 -4.911 1.00 14.44 H new ATOM 0 HA PHE A 59 -2.775 -41.379 -5.433 1.00 40.24 H new ATOM 0 HB2 PHE A 59 0.090 -42.224 -5.347 1.00 3.00 H new ATOM 0 HB3 PHE A 59 -0.247 -40.722 -6.185 1.00 3.00 H new ATOM 0 HD1 PHE A 59 -0.402 -42.450 -2.937 1.00 14.42 H new ATOM 0 HD2 PHE A 59 -0.995 -38.761 -4.982 1.00 53.31 H new ATOM 0 HE1 PHE A 59 -0.514 -41.274 -0.782 1.00 12.11 H new ATOM 0 HE2 PHE A 59 -1.105 -37.581 -2.830 1.00 74.41 H new ATOM 0 HZ PHE A 59 -0.862 -38.837 -0.725 1.00 12.05 H new ATOM 963 N GLN A 60 -1.506 -42.825 -8.103 1.00 73.42 N ATOM 964 CA GLN A 60 -1.543 -42.840 -9.561 1.00 34.42 C ATOM 965 C GLN A 60 -2.970 -43.029 -10.067 1.00 64.11 C ATOM 966 O GLN A 60 -3.398 -42.361 -11.008 1.00 70.13 O ATOM 967 CB GLN A 60 -0.645 -43.953 -10.103 1.00 74.54 C ATOM 968 CG GLN A 60 0.573 -43.441 -10.854 1.00 52.34 C ATOM 969 CD GLN A 60 1.798 -43.326 -9.970 1.00 24.44 C ATOM 970 OE1 GLN A 60 2.873 -43.823 -10.310 1.00 15.01 O ATOM 971 NE2 GLN A 60 1.644 -42.669 -8.826 1.00 21.30 N ATOM 0 H GLN A 60 -1.001 -43.607 -7.685 1.00 73.42 H new ATOM 0 HA GLN A 60 -1.174 -41.879 -9.919 1.00 34.42 H new ATOM 0 HB2 GLN A 60 -0.314 -44.577 -9.273 1.00 74.54 H new ATOM 0 HB3 GLN A 60 -1.230 -44.589 -10.767 1.00 74.54 H new ATOM 0 HG2 GLN A 60 0.791 -44.112 -11.685 1.00 52.34 H new ATOM 0 HG3 GLN A 60 0.347 -42.465 -11.283 1.00 52.34 H new ATOM 0 HE21 GLN A 60 0.736 -42.273 -8.584 1.00 21.30 H new ATOM 0 HE22 GLN A 60 2.434 -42.560 -8.190 1.00 21.30 H new ATOM 980 N ASP A 61 -3.700 -43.943 -9.437 1.00 45.11 N ATOM 981 CA ASP A 61 -5.078 -44.219 -9.823 1.00 73.23 C ATOM 982 C ASP A 61 -5.972 -43.014 -9.548 1.00 1.13 C ATOM 983 O ASP A 61 -6.831 -42.667 -10.359 1.00 5.14 O ATOM 984 CB ASP A 61 -5.605 -45.443 -9.072 1.00 54.11 C ATOM 985 CG ASP A 61 -6.936 -45.926 -9.614 1.00 71.12 C ATOM 986 OD1 ASP A 61 -6.933 -46.668 -10.618 1.00 70.15 O ATOM 987 OD2 ASP A 61 -7.981 -45.562 -9.035 1.00 1.33 O ATOM 0 H ASP A 61 -3.360 -44.505 -8.657 1.00 45.11 H new ATOM 0 HA ASP A 61 -5.095 -44.424 -10.893 1.00 73.23 H new ATOM 0 HB2 ASP A 61 -4.875 -46.249 -9.139 1.00 54.11 H new ATOM 0 HB3 ASP A 61 -5.713 -45.198 -8.015 1.00 54.11 H new ATOM 992 N SER A 62 -5.764 -42.380 -8.398 1.00 33.32 N ATOM 993 CA SER A 62 -6.554 -41.217 -8.013 1.00 12.32 C ATOM 994 C SER A 62 -6.365 -40.078 -9.010 1.00 12.40 C ATOM 995 O SER A 62 -7.320 -39.627 -9.645 1.00 30.53 O ATOM 996 CB SER A 62 -6.164 -40.751 -6.609 1.00 2.31 C ATOM 997 OG SER A 62 -4.787 -40.420 -6.546 1.00 33.23 O ATOM 0 H SER A 62 -5.055 -42.653 -7.717 1.00 33.32 H new ATOM 0 HA SER A 62 -7.605 -41.506 -8.013 1.00 12.32 H new ATOM 0 HB2 SER A 62 -6.763 -39.884 -6.331 1.00 2.31 H new ATOM 0 HB3 SER A 62 -6.386 -41.537 -5.887 1.00 2.31 H new ATOM 0 HG SER A 62 -4.295 -40.936 -7.219 1.00 33.23 H new ATOM 1003 N LEU A 63 -5.127 -39.616 -9.143 1.00 2.33 N ATOM 1004 CA LEU A 63 -4.810 -38.529 -10.063 1.00 12.44 C ATOM 1005 C LEU A 63 -5.287 -38.854 -11.475 1.00 1.25 C ATOM 1006 O LEU A 63 -5.832 -37.997 -12.171 1.00 5.43 O ATOM 1007 CB LEU A 63 -3.304 -38.262 -10.069 1.00 61.23 C ATOM 1008 CG LEU A 63 -2.713 -37.716 -8.769 1.00 51.42 C ATOM 1009 CD1 LEU A 63 -1.260 -37.315 -8.970 1.00 62.31 C ATOM 1010 CD2 LEU A 63 -3.530 -36.533 -8.268 1.00 65.12 C ATOM 0 H LEU A 63 -4.326 -39.977 -8.625 1.00 2.33 H new ATOM 0 HA LEU A 63 -5.329 -37.634 -9.721 1.00 12.44 H new ATOM 0 HB2 LEU A 63 -2.792 -39.192 -10.315 1.00 61.23 H new ATOM 0 HB3 LEU A 63 -3.084 -37.556 -10.869 1.00 61.23 H new ATOM 0 HG LEU A 63 -2.750 -38.503 -8.016 1.00 51.42 H new ATOM 0 HD11 LEU A 63 -0.856 -36.929 -8.034 1.00 62.31 H new ATOM 0 HD12 LEU A 63 -0.682 -38.185 -9.283 1.00 62.31 H new ATOM 0 HD13 LEU A 63 -1.198 -36.544 -9.738 1.00 62.31 H new ATOM 0 HD21 LEU A 63 -3.095 -36.157 -7.342 1.00 65.12 H new ATOM 0 HD22 LEU A 63 -3.524 -35.743 -9.019 1.00 65.12 H new ATOM 0 HD23 LEU A 63 -4.556 -36.851 -8.084 1.00 65.12 H new ATOM 1022 N LYS A 64 -5.080 -40.098 -11.891 1.00 74.41 N ATOM 1023 CA LYS A 64 -5.492 -40.540 -13.219 1.00 3.44 C ATOM 1024 C LYS A 64 -7.009 -40.487 -13.364 1.00 12.24 C ATOM 1025 O LYS A 64 -7.532 -39.939 -14.335 1.00 20.35 O ATOM 1026 CB LYS A 64 -4.993 -41.962 -13.483 1.00 44.12 C ATOM 1027 CG LYS A 64 -5.333 -42.477 -14.871 1.00 25.51 C ATOM 1028 CD LYS A 64 -5.024 -43.959 -15.006 1.00 73.22 C ATOM 1029 CE LYS A 64 -6.297 -44.788 -15.088 1.00 60.10 C ATOM 1030 NZ LYS A 64 -6.998 -44.858 -13.776 1.00 74.23 N ATOM 0 H LYS A 64 -4.629 -40.819 -11.328 1.00 74.41 H new ATOM 0 HA LYS A 64 -5.051 -39.865 -13.952 1.00 3.44 H new ATOM 0 HB2 LYS A 64 -3.912 -41.990 -13.349 1.00 44.12 H new ATOM 0 HB3 LYS A 64 -5.423 -42.633 -12.740 1.00 44.12 H new ATOM 0 HG2 LYS A 64 -6.390 -42.304 -15.076 1.00 25.51 H new ATOM 0 HG3 LYS A 64 -4.768 -41.917 -15.616 1.00 25.51 H new ATOM 0 HD2 LYS A 64 -4.421 -44.126 -15.899 1.00 73.22 H new ATOM 0 HD3 LYS A 64 -4.429 -44.287 -14.154 1.00 73.22 H new ATOM 0 HE2 LYS A 64 -6.964 -44.356 -15.834 1.00 60.10 H new ATOM 0 HE3 LYS A 64 -6.053 -45.796 -15.424 1.00 60.10 H new ATOM 0 HZ1 LYS A 64 -7.860 -45.431 -13.873 1.00 74.23 H new ATOM 0 HZ2 LYS A 64 -6.371 -45.293 -13.070 1.00 74.23 H new ATOM 0 HZ3 LYS A 64 -7.253 -43.898 -13.467 1.00 74.23 H new ATOM 1044 N LYS A 65 -7.712 -41.058 -12.391 1.00 71.24 N ATOM 1045 CA LYS A 65 -9.170 -41.074 -12.409 1.00 20.25 C ATOM 1046 C LYS A 65 -9.727 -39.667 -12.598 1.00 74.13 C ATOM 1047 O LYS A 65 -10.560 -39.431 -13.474 1.00 34.44 O ATOM 1048 CB LYS A 65 -9.709 -41.677 -11.109 1.00 51.22 C ATOM 1049 CG LYS A 65 -11.130 -42.202 -11.226 1.00 4.22 C ATOM 1050 CD LYS A 65 -12.060 -41.518 -10.238 1.00 3.21 C ATOM 1051 CE LYS A 65 -12.410 -40.108 -10.687 1.00 54.42 C ATOM 1052 NZ LYS A 65 -13.792 -39.724 -10.283 1.00 65.23 N ATOM 0 H LYS A 65 -7.295 -41.516 -11.580 1.00 71.24 H new ATOM 0 HA LYS A 65 -9.492 -41.689 -13.249 1.00 20.25 H new ATOM 0 HB2 LYS A 65 -9.054 -42.491 -10.797 1.00 51.22 H new ATOM 0 HB3 LYS A 65 -9.673 -40.921 -10.325 1.00 51.22 H new ATOM 0 HG2 LYS A 65 -11.495 -42.043 -12.241 1.00 4.22 H new ATOM 0 HG3 LYS A 65 -11.137 -43.278 -11.049 1.00 4.22 H new ATOM 0 HD2 LYS A 65 -12.973 -42.104 -10.130 1.00 3.21 H new ATOM 0 HD3 LYS A 65 -11.587 -41.482 -9.257 1.00 3.21 H new ATOM 0 HE2 LYS A 65 -11.697 -39.403 -10.259 1.00 54.42 H new ATOM 0 HE3 LYS A 65 -12.316 -40.038 -11.771 1.00 54.42 H new ATOM 0 HZ1 LYS A 65 -13.992 -38.756 -10.607 1.00 65.23 H new ATOM 0 HZ2 LYS A 65 -14.474 -40.381 -10.712 1.00 65.23 H new ATOM 0 HZ3 LYS A 65 -13.875 -39.766 -9.247 1.00 65.23 H new ATOM 1066 N VAL A 66 -9.261 -38.735 -11.774 1.00 14.54 N ATOM 1067 CA VAL A 66 -9.711 -37.350 -11.853 1.00 15.03 C ATOM 1068 C VAL A 66 -9.213 -36.682 -13.129 1.00 61.02 C ATOM 1069 O VAL A 66 -9.915 -35.870 -13.731 1.00 71.52 O ATOM 1070 CB VAL A 66 -9.232 -36.534 -10.638 1.00 5.40 C ATOM 1071 CG1 VAL A 66 -7.712 -36.513 -10.575 1.00 21.22 C ATOM 1072 CG2 VAL A 66 -9.790 -35.120 -10.693 1.00 11.35 C ATOM 0 H VAL A 66 -8.572 -38.913 -11.044 1.00 14.54 H new ATOM 0 HA VAL A 66 -10.801 -37.371 -11.860 1.00 15.03 H new ATOM 0 HB VAL A 66 -9.603 -37.012 -9.732 1.00 5.40 H new ATOM 0 HG11 VAL A 66 -7.392 -35.932 -9.710 1.00 21.22 H new ATOM 0 HG12 VAL A 66 -7.337 -37.533 -10.486 1.00 21.22 H new ATOM 0 HG13 VAL A 66 -7.316 -36.059 -11.484 1.00 21.22 H new ATOM 0 HG21 VAL A 66 -9.442 -34.557 -9.827 1.00 11.35 H new ATOM 0 HG22 VAL A 66 -9.450 -34.630 -11.605 1.00 11.35 H new ATOM 0 HG23 VAL A 66 -10.879 -35.158 -10.686 1.00 11.35 H new ATOM 1082 N GLU A 67 -7.996 -37.030 -13.536 1.00 72.04 N ATOM 1083 CA GLU A 67 -7.404 -36.463 -14.742 1.00 63.12 C ATOM 1084 C GLU A 67 -8.345 -36.615 -15.934 1.00 25.31 C ATOM 1085 O GLU A 67 -8.677 -35.639 -16.606 1.00 42.23 O ATOM 1086 CB GLU A 67 -6.065 -37.139 -15.046 1.00 20.13 C ATOM 1087 CG GLU A 67 -4.877 -36.463 -14.381 1.00 73.15 C ATOM 1088 CD GLU A 67 -3.665 -37.369 -14.293 1.00 21.45 C ATOM 1089 OE1 GLU A 67 -3.588 -38.338 -15.077 1.00 52.43 O ATOM 1090 OE2 GLU A 67 -2.792 -37.110 -13.438 1.00 13.45 O ATOM 0 H GLU A 67 -7.402 -37.701 -13.049 1.00 72.04 H new ATOM 0 HA GLU A 67 -7.235 -35.400 -14.568 1.00 63.12 H new ATOM 0 HB2 GLU A 67 -6.110 -38.178 -14.720 1.00 20.13 H new ATOM 0 HB3 GLU A 67 -5.909 -37.149 -16.125 1.00 20.13 H new ATOM 0 HG2 GLU A 67 -4.615 -35.565 -14.940 1.00 73.15 H new ATOM 0 HG3 GLU A 67 -5.160 -36.143 -13.378 1.00 73.15 H new ATOM 1097 N LYS A 68 -8.770 -37.847 -16.190 1.00 74.54 N ATOM 1098 CA LYS A 68 -9.673 -38.130 -17.300 1.00 34.12 C ATOM 1099 C LYS A 68 -11.059 -37.549 -17.035 1.00 44.14 C ATOM 1100 O LYS A 68 -11.693 -36.997 -17.934 1.00 65.45 O ATOM 1101 CB LYS A 68 -9.777 -39.640 -17.528 1.00 50.21 C ATOM 1102 CG LYS A 68 -10.171 -40.417 -16.284 1.00 75.33 C ATOM 1103 CD LYS A 68 -10.070 -41.917 -16.509 1.00 11.34 C ATOM 1104 CE LYS A 68 -11.373 -42.621 -16.162 1.00 63.44 C ATOM 1105 NZ LYS A 68 -11.479 -43.949 -16.828 1.00 72.14 N ATOM 0 H LYS A 68 -8.504 -38.666 -15.644 1.00 74.54 H new ATOM 0 HA LYS A 68 -9.266 -37.661 -18.196 1.00 34.12 H new ATOM 0 HB2 LYS A 68 -10.509 -39.831 -18.313 1.00 50.21 H new ATOM 0 HB3 LYS A 68 -8.818 -40.011 -17.890 1.00 50.21 H new ATOM 0 HG2 LYS A 68 -9.526 -40.128 -15.454 1.00 75.33 H new ATOM 0 HG3 LYS A 68 -11.191 -40.158 -16.000 1.00 75.33 H new ATOM 0 HD2 LYS A 68 -9.815 -42.114 -17.550 1.00 11.34 H new ATOM 0 HD3 LYS A 68 -9.262 -42.324 -15.901 1.00 11.34 H new ATOM 0 HE2 LYS A 68 -11.440 -42.750 -15.082 1.00 63.44 H new ATOM 0 HE3 LYS A 68 -12.215 -41.996 -16.461 1.00 63.44 H new ATOM 0 HZ1 LYS A 68 -12.380 -44.397 -16.567 1.00 72.14 H new ATOM 0 HZ2 LYS A 68 -11.441 -43.824 -17.860 1.00 72.14 H new ATOM 0 HZ3 LYS A 68 -10.690 -44.554 -16.523 1.00 72.14 H new ATOM 1119 N ALA A 69 -11.522 -37.675 -15.796 1.00 63.31 N ATOM 1120 CA ALA A 69 -12.830 -37.159 -15.413 1.00 71.42 C ATOM 1121 C ALA A 69 -12.868 -35.638 -15.504 1.00 11.34 C ATOM 1122 O ALA A 69 -13.940 -35.033 -15.497 1.00 51.43 O ATOM 1123 CB ALA A 69 -13.186 -37.616 -14.006 1.00 10.51 C ATOM 0 H ALA A 69 -11.010 -38.130 -15.040 1.00 63.31 H new ATOM 0 HA ALA A 69 -13.569 -37.556 -16.109 1.00 71.42 H new ATOM 0 HB1 ALA A 69 -14.165 -37.223 -13.733 1.00 10.51 H new ATOM 0 HB2 ALA A 69 -13.209 -38.705 -13.972 1.00 10.51 H new ATOM 0 HB3 ALA A 69 -12.438 -37.247 -13.304 1.00 10.51 H new ATOM 1129 N SER A 70 -11.692 -35.025 -15.587 1.00 44.20 N ATOM 1130 CA SER A 70 -11.591 -33.573 -15.674 1.00 44.31 C ATOM 1131 C SER A 70 -11.094 -33.144 -17.052 1.00 33.33 C ATOM 1132 O SER A 70 -11.192 -31.974 -17.423 1.00 65.05 O ATOM 1133 CB SER A 70 -10.649 -33.040 -14.592 1.00 55.00 C ATOM 1134 OG SER A 70 -11.150 -33.322 -13.297 1.00 31.03 O ATOM 0 H SER A 70 -10.795 -35.511 -15.596 1.00 44.20 H new ATOM 0 HA SER A 70 -12.586 -33.155 -15.519 1.00 44.31 H new ATOM 0 HB2 SER A 70 -9.663 -33.490 -14.710 1.00 55.00 H new ATOM 0 HB3 SER A 70 -10.525 -31.964 -14.711 1.00 55.00 H new ATOM 0 HG SER A 70 -10.973 -34.260 -13.075 1.00 31.03 H new ATOM 1140 N LEU A 71 -10.562 -34.100 -17.805 1.00 62.21 N ATOM 1141 CA LEU A 71 -10.049 -33.824 -19.143 1.00 13.33 C ATOM 1142 C LEU A 71 -10.911 -34.497 -20.206 1.00 13.20 C ATOM 1143 O LEU A 71 -10.627 -34.406 -21.401 1.00 14.41 O ATOM 1144 CB LEU A 71 -8.602 -34.303 -19.265 1.00 21.12 C ATOM 1145 CG LEU A 71 -7.572 -33.552 -18.420 1.00 54.30 C ATOM 1146 CD1 LEU A 71 -6.323 -33.259 -19.236 1.00 71.24 C ATOM 1147 CD2 LEU A 71 -8.169 -32.263 -17.874 1.00 51.53 C ATOM 0 H LEU A 71 -10.474 -35.073 -17.512 1.00 62.21 H new ATOM 0 HA LEU A 71 -10.083 -32.746 -19.303 1.00 13.33 H new ATOM 0 HB2 LEU A 71 -8.566 -35.358 -18.993 1.00 21.12 H new ATOM 0 HB3 LEU A 71 -8.304 -34.233 -20.311 1.00 21.12 H new ATOM 0 HG LEU A 71 -7.290 -34.184 -17.578 1.00 54.30 H new ATOM 0 HD11 LEU A 71 -5.602 -32.724 -18.618 1.00 71.24 H new ATOM 0 HD12 LEU A 71 -5.884 -34.196 -19.578 1.00 71.24 H new ATOM 0 HD13 LEU A 71 -6.587 -32.646 -20.098 1.00 71.24 H new ATOM 0 HD21 LEU A 71 -7.422 -31.741 -17.275 1.00 51.53 H new ATOM 0 HD22 LEU A 71 -8.479 -31.626 -18.702 1.00 51.53 H new ATOM 0 HD23 LEU A 71 -9.034 -32.497 -17.253 1.00 51.53 H new ATOM 1159 N THR A 72 -11.968 -35.172 -19.764 1.00 0.31 N ATOM 1160 CA THR A 72 -12.872 -35.859 -20.677 1.00 35.23 C ATOM 1161 C THR A 72 -13.288 -34.950 -21.828 1.00 24.22 C ATOM 1162 O THR A 72 -13.532 -35.414 -22.940 1.00 61.45 O ATOM 1163 CB THR A 72 -14.136 -36.356 -19.948 1.00 43.52 C ATOM 1164 OG1 THR A 72 -14.314 -35.629 -18.727 1.00 55.14 O ATOM 1165 CG2 THR A 72 -14.038 -37.844 -19.649 1.00 12.21 C ATOM 0 H THR A 72 -12.219 -35.257 -18.779 1.00 0.31 H new ATOM 0 HA THR A 72 -12.328 -36.717 -21.073 1.00 35.23 H new ATOM 0 HB THR A 72 -14.994 -36.189 -20.599 1.00 43.52 H new ATOM 0 HG1 THR A 72 -13.824 -36.076 -18.006 1.00 55.14 H new ATOM 0 HG21 THR A 72 -14.941 -38.172 -19.134 1.00 12.21 H new ATOM 0 HG22 THR A 72 -13.931 -38.396 -20.583 1.00 12.21 H new ATOM 0 HG23 THR A 72 -13.171 -38.031 -19.015 1.00 12.21 H new ATOM 1173 N ASN A 73 -13.365 -33.652 -21.553 1.00 24.25 N ATOM 1174 CA ASN A 73 -13.750 -32.677 -22.566 1.00 73.44 C ATOM 1175 C ASN A 73 -13.189 -31.298 -22.236 1.00 50.20 C ATOM 1176 O ASN A 73 -13.719 -30.277 -22.678 1.00 33.53 O ATOM 1177 CB ASN A 73 -15.274 -32.606 -22.681 1.00 74.15 C ATOM 1178 CG ASN A 73 -15.974 -33.418 -21.609 1.00 22.15 C ATOM 1179 OD1 ASN A 73 -16.212 -34.614 -21.776 1.00 73.21 O ATOM 1180 ND2 ASN A 73 -16.306 -32.769 -20.499 1.00 35.45 N ATOM 0 H ASN A 73 -13.166 -33.251 -20.636 1.00 24.25 H new ATOM 0 HA ASN A 73 -13.334 -32.999 -23.521 1.00 73.44 H new ATOM 0 HB2 ASN A 73 -15.593 -31.566 -22.611 1.00 74.15 H new ATOM 0 HB3 ASN A 73 -15.579 -32.967 -23.663 1.00 74.15 H new ATOM 0 HD21 ASN A 73 -16.778 -33.263 -19.741 1.00 35.45 H new ATOM 0 HD22 ASN A 73 -16.089 -31.777 -20.404 1.00 35.45 H new ATOM 1187 N LEU A 74 -12.113 -31.274 -21.457 1.00 71.03 N ATOM 1188 CA LEU A 74 -11.478 -30.020 -21.068 1.00 12.34 C ATOM 1189 C LEU A 74 -10.067 -29.924 -21.638 1.00 3.32 C ATOM 1190 O LEU A 74 -9.167 -29.366 -21.008 1.00 70.21 O ATOM 1191 CB LEU A 74 -11.434 -29.900 -19.543 1.00 50.33 C ATOM 1192 CG LEU A 74 -12.756 -30.140 -18.813 1.00 4.24 C ATOM 1193 CD1 LEU A 74 -12.712 -29.535 -17.418 1.00 51.30 C ATOM 1194 CD2 LEU A 74 -13.918 -29.565 -19.609 1.00 63.13 C ATOM 0 H LEU A 74 -11.662 -32.109 -21.082 1.00 71.03 H new ATOM 0 HA LEU A 74 -12.070 -29.200 -21.474 1.00 12.34 H new ATOM 0 HB2 LEU A 74 -10.698 -30.609 -19.164 1.00 50.33 H new ATOM 0 HB3 LEU A 74 -11.076 -28.903 -19.287 1.00 50.33 H new ATOM 0 HG LEU A 74 -12.906 -31.215 -18.717 1.00 4.24 H new ATOM 0 HD11 LEU A 74 -13.661 -29.715 -16.913 1.00 51.30 H new ATOM 0 HD12 LEU A 74 -11.905 -29.994 -16.848 1.00 51.30 H new ATOM 0 HD13 LEU A 74 -12.539 -28.461 -17.492 1.00 51.30 H new ATOM 0 HD21 LEU A 74 -14.850 -29.745 -19.074 1.00 63.13 H new ATOM 0 HD22 LEU A 74 -13.775 -28.492 -19.738 1.00 63.13 H new ATOM 0 HD23 LEU A 74 -13.962 -30.045 -20.587 1.00 63.13 H new ATOM 1206 N THR A 75 -9.879 -30.469 -22.836 1.00 33.34 N ATOM 1207 CA THR A 75 -8.578 -30.445 -23.492 1.00 11.54 C ATOM 1208 C THR A 75 -8.611 -31.212 -24.808 1.00 74.50 C ATOM 1209 O THR A 75 -9.213 -32.281 -24.916 1.00 73.01 O ATOM 1210 CB THR A 75 -7.482 -31.042 -22.589 1.00 74.51 C ATOM 1211 OG1 THR A 75 -8.079 -31.722 -21.479 1.00 11.12 O ATOM 1212 CG2 THR A 75 -6.547 -29.956 -22.082 1.00 5.22 C ATOM 0 H THR A 75 -10.613 -30.933 -23.372 1.00 33.34 H new ATOM 0 HA THR A 75 -8.344 -29.399 -23.691 1.00 11.54 H new ATOM 0 HB THR A 75 -6.902 -31.751 -23.180 1.00 74.51 H new ATOM 0 HG1 THR A 75 -8.524 -32.536 -21.795 1.00 11.12 H new ATOM 0 HG21 THR A 75 -5.782 -30.402 -21.447 1.00 5.22 H new ATOM 0 HG22 THR A 75 -6.072 -29.460 -22.929 1.00 5.22 H new ATOM 0 HG23 THR A 75 -7.116 -29.226 -21.507 1.00 5.22 H new ATOM 1220 N PRO A 76 -7.949 -30.658 -25.834 1.00 74.04 N ATOM 1221 CA PRO A 76 -7.887 -31.275 -27.162 1.00 74.45 C ATOM 1222 C PRO A 76 -7.040 -32.543 -27.173 1.00 73.34 C ATOM 1223 O PRO A 76 -7.311 -33.474 -27.931 1.00 71.30 O ATOM 1224 CB PRO A 76 -7.239 -30.192 -28.028 1.00 11.35 C ATOM 1225 CG PRO A 76 -6.446 -29.369 -27.072 1.00 42.42 C ATOM 1226 CD PRO A 76 -7.210 -29.386 -25.777 1.00 42.01 C ATOM 0 HA PRO A 76 -8.871 -31.587 -27.512 1.00 74.45 H new ATOM 0 HB2 PRO A 76 -6.602 -30.628 -28.798 1.00 11.35 H new ATOM 0 HB3 PRO A 76 -7.991 -29.591 -28.539 1.00 11.35 H new ATOM 0 HG2 PRO A 76 -5.445 -29.780 -26.940 1.00 42.42 H new ATOM 0 HG3 PRO A 76 -6.326 -28.350 -27.441 1.00 42.42 H new ATOM 0 HD2 PRO A 76 -6.543 -29.347 -24.916 1.00 42.01 H new ATOM 0 HD3 PRO A 76 -7.884 -28.533 -25.697 1.00 42.01 H new ATOM 1234 N GLU A 77 -6.015 -32.572 -26.328 1.00 42.20 N ATOM 1235 CA GLU A 77 -5.128 -33.726 -26.242 1.00 35.40 C ATOM 1236 C GLU A 77 -5.929 -35.017 -26.090 1.00 0.44 C ATOM 1237 O GLU A 77 -5.818 -35.930 -26.909 1.00 30.15 O ATOM 1238 CB GLU A 77 -4.163 -33.570 -25.065 1.00 35.01 C ATOM 1239 CG GLU A 77 -2.948 -32.716 -25.384 1.00 11.44 C ATOM 1240 CD GLU A 77 -1.891 -32.777 -24.298 1.00 61.23 C ATOM 1241 OE1 GLU A 77 -2.227 -33.177 -23.164 1.00 64.42 O ATOM 1242 OE2 GLU A 77 -0.727 -32.425 -24.584 1.00 52.10 O ATOM 0 H GLU A 77 -5.778 -31.810 -25.693 1.00 42.20 H new ATOM 0 HA GLU A 77 -4.554 -33.781 -27.167 1.00 35.40 H new ATOM 0 HB2 GLU A 77 -4.697 -33.127 -24.224 1.00 35.01 H new ATOM 0 HB3 GLU A 77 -3.829 -34.557 -24.746 1.00 35.01 H new ATOM 0 HG2 GLU A 77 -2.514 -33.047 -26.328 1.00 11.44 H new ATOM 0 HG3 GLU A 77 -3.262 -31.681 -25.523 1.00 11.44 H new ATOM 1249 N LEU A 78 -6.735 -35.085 -25.036 1.00 0.42 N ATOM 1250 CA LEU A 78 -7.555 -36.263 -24.774 1.00 44.32 C ATOM 1251 C LEU A 78 -8.361 -36.650 -26.010 1.00 33.05 C ATOM 1252 O LEU A 78 -8.275 -37.779 -26.492 1.00 31.40 O ATOM 1253 CB LEU A 78 -8.496 -36.002 -23.597 1.00 72.12 C ATOM 1254 CG LEU A 78 -7.893 -36.177 -22.203 1.00 64.03 C ATOM 1255 CD1 LEU A 78 -7.460 -37.619 -21.986 1.00 15.22 C ATOM 1256 CD2 LEU A 78 -6.717 -35.231 -22.009 1.00 2.23 C ATOM 0 H LEU A 78 -6.838 -34.338 -24.349 1.00 0.42 H new ATOM 0 HA LEU A 78 -6.891 -37.090 -24.523 1.00 44.32 H new ATOM 0 HB2 LEU A 78 -8.877 -34.984 -23.681 1.00 72.12 H new ATOM 0 HB3 LEU A 78 -9.352 -36.671 -23.687 1.00 72.12 H new ATOM 0 HG LEU A 78 -8.656 -35.933 -21.464 1.00 64.03 H new ATOM 0 HD11 LEU A 78 -7.033 -37.725 -20.989 1.00 15.22 H new ATOM 0 HD12 LEU A 78 -8.324 -38.277 -22.083 1.00 15.22 H new ATOM 0 HD13 LEU A 78 -6.712 -37.890 -22.731 1.00 15.22 H new ATOM 0 HD21 LEU A 78 -6.300 -35.369 -21.011 1.00 2.23 H new ATOM 0 HD22 LEU A 78 -5.952 -35.444 -22.755 1.00 2.23 H new ATOM 0 HD23 LEU A 78 -7.056 -34.201 -22.121 1.00 2.23 H new ATOM 1268 N LYS A 79 -9.144 -35.705 -26.519 1.00 13.14 N ATOM 1269 CA LYS A 79 -9.964 -35.944 -27.700 1.00 74.51 C ATOM 1270 C LYS A 79 -9.161 -36.653 -28.786 1.00 21.54 C ATOM 1271 O LYS A 79 -9.668 -37.548 -29.462 1.00 40.31 O ATOM 1272 CB LYS A 79 -10.516 -34.623 -28.240 1.00 1.10 C ATOM 1273 CG LYS A 79 -11.803 -34.180 -27.566 1.00 30.30 C ATOM 1274 CD LYS A 79 -12.563 -33.178 -28.419 1.00 2.15 C ATOM 1275 CE LYS A 79 -12.147 -31.749 -28.103 1.00 64.31 C ATOM 1276 NZ LYS A 79 -12.193 -30.879 -29.310 1.00 41.24 N ATOM 0 H LYS A 79 -9.228 -34.765 -26.131 1.00 13.14 H new ATOM 0 HA LYS A 79 -10.795 -36.586 -27.409 1.00 74.51 H new ATOM 0 HB2 LYS A 79 -9.763 -33.845 -28.113 1.00 1.10 H new ATOM 0 HB3 LYS A 79 -10.693 -34.724 -29.311 1.00 1.10 H new ATOM 0 HG2 LYS A 79 -12.433 -35.049 -27.376 1.00 30.30 H new ATOM 0 HG3 LYS A 79 -11.573 -33.735 -26.598 1.00 30.30 H new ATOM 0 HD2 LYS A 79 -12.383 -33.386 -29.474 1.00 2.15 H new ATOM 0 HD3 LYS A 79 -13.634 -33.292 -28.250 1.00 2.15 H new ATOM 0 HE2 LYS A 79 -12.804 -31.341 -27.336 1.00 64.31 H new ATOM 0 HE3 LYS A 79 -11.137 -31.747 -27.692 1.00 64.31 H new ATOM 0 HZ1 LYS A 79 -11.903 -29.914 -29.053 1.00 41.24 H new ATOM 0 HZ2 LYS A 79 -11.547 -31.254 -30.033 1.00 41.24 H new ATOM 0 HZ3 LYS A 79 -13.162 -30.860 -29.688 1.00 41.24 H new ATOM 1290 N ALA A 80 -7.905 -36.249 -28.945 1.00 70.12 N ATOM 1291 CA ALA A 80 -7.031 -36.848 -29.946 1.00 22.41 C ATOM 1292 C ALA A 80 -6.694 -38.292 -29.587 1.00 3.43 C ATOM 1293 O ALA A 80 -6.744 -39.181 -30.437 1.00 0.35 O ATOM 1294 CB ALA A 80 -5.758 -36.028 -30.094 1.00 21.21 C ATOM 0 H ALA A 80 -7.470 -35.509 -28.393 1.00 70.12 H new ATOM 0 HA ALA A 80 -7.560 -36.852 -30.899 1.00 22.41 H new ATOM 0 HB1 ALA A 80 -5.115 -36.487 -30.845 1.00 21.21 H new ATOM 0 HB2 ALA A 80 -6.012 -35.015 -30.404 1.00 21.21 H new ATOM 0 HB3 ALA A 80 -5.234 -35.994 -29.139 1.00 21.21 H new ATOM 1300 N SER A 81 -6.349 -38.517 -28.323 1.00 34.12 N ATOM 1301 CA SER A 81 -5.999 -39.852 -27.853 1.00 34.25 C ATOM 1302 C SER A 81 -7.191 -40.798 -27.967 1.00 30.15 C ATOM 1303 O SER A 81 -7.071 -41.905 -28.492 1.00 1.52 O ATOM 1304 CB SER A 81 -5.516 -39.795 -26.402 1.00 14.30 C ATOM 1305 OG SER A 81 -4.194 -39.291 -26.324 1.00 52.23 O ATOM 0 H SER A 81 -6.304 -37.792 -27.607 1.00 34.12 H new ATOM 0 HA SER A 81 -5.194 -40.232 -28.482 1.00 34.25 H new ATOM 0 HB2 SER A 81 -6.185 -39.163 -25.817 1.00 14.30 H new ATOM 0 HB3 SER A 81 -5.555 -40.792 -25.963 1.00 14.30 H new ATOM 0 HG SER A 81 -3.909 -39.263 -25.387 1.00 52.23 H new ATOM 1311 N MET A 82 -8.341 -40.354 -27.470 1.00 41.52 N ATOM 1312 CA MET A 82 -9.555 -41.159 -27.517 1.00 75.31 C ATOM 1313 C MET A 82 -9.978 -41.422 -28.959 1.00 15.21 C ATOM 1314 O MET A 82 -10.411 -42.523 -29.298 1.00 62.51 O ATOM 1315 CB MET A 82 -10.687 -40.460 -26.761 1.00 4.03 C ATOM 1316 CG MET A 82 -10.261 -39.900 -25.413 1.00 50.32 C ATOM 1317 SD MET A 82 -11.341 -40.427 -24.069 1.00 71.22 S ATOM 1318 CE MET A 82 -10.559 -41.966 -23.591 1.00 11.14 C ATOM 0 H MET A 82 -8.457 -39.441 -27.030 1.00 41.52 H new ATOM 0 HA MET A 82 -9.345 -42.115 -27.038 1.00 75.31 H new ATOM 0 HB2 MET A 82 -11.077 -39.649 -27.376 1.00 4.03 H new ATOM 0 HB3 MET A 82 -11.503 -41.167 -26.610 1.00 4.03 H new ATOM 0 HG2 MET A 82 -9.240 -40.216 -25.199 1.00 50.32 H new ATOM 0 HG3 MET A 82 -10.254 -38.811 -25.462 1.00 50.32 H new ATOM 0 HE1 MET A 82 -11.113 -42.415 -22.767 1.00 11.14 H new ATOM 0 HE2 MET A 82 -10.553 -42.650 -24.440 1.00 11.14 H new ATOM 0 HE3 MET A 82 -9.534 -41.771 -23.276 1.00 11.14 H new ATOM 1328 N ASP A 83 -9.851 -40.404 -29.803 1.00 14.44 N ATOM 1329 CA ASP A 83 -10.220 -40.525 -31.208 1.00 41.14 C ATOM 1330 C ASP A 83 -9.372 -41.586 -31.903 1.00 33.22 C ATOM 1331 O ASP A 83 -9.887 -42.405 -32.664 1.00 13.25 O ATOM 1332 CB ASP A 83 -10.057 -39.180 -31.918 1.00 53.12 C ATOM 1333 CG ASP A 83 -11.235 -38.255 -31.682 1.00 42.40 C ATOM 1334 OD1 ASP A 83 -12.357 -38.763 -31.478 1.00 23.13 O ATOM 1335 OD2 ASP A 83 -11.035 -37.022 -31.702 1.00 43.14 O ATOM 0 H ASP A 83 -9.495 -39.486 -29.538 1.00 14.44 H new ATOM 0 HA ASP A 83 -11.265 -40.830 -31.258 1.00 41.14 H new ATOM 0 HB2 ASP A 83 -9.144 -38.697 -31.570 1.00 53.12 H new ATOM 0 HB3 ASP A 83 -9.940 -39.349 -32.988 1.00 53.12 H new ATOM 1340 N GLU A 84 -8.070 -41.565 -31.636 1.00 12.53 N ATOM 1341 CA GLU A 84 -7.152 -42.524 -32.237 1.00 24.20 C ATOM 1342 C GLU A 84 -7.403 -43.929 -31.698 1.00 74.51 C ATOM 1343 O GLU A 84 -7.292 -44.916 -32.428 1.00 12.33 O ATOM 1344 CB GLU A 84 -5.702 -42.115 -31.967 1.00 12.30 C ATOM 1345 CG GLU A 84 -5.119 -41.201 -33.032 1.00 72.53 C ATOM 1346 CD GLU A 84 -3.758 -41.663 -33.515 1.00 22.00 C ATOM 1347 OE1 GLU A 84 -3.708 -42.565 -34.377 1.00 23.23 O ATOM 1348 OE2 GLU A 84 -2.742 -41.121 -33.030 1.00 73.04 O ATOM 0 H GLU A 84 -7.628 -40.894 -31.008 1.00 12.53 H new ATOM 0 HA GLU A 84 -7.327 -42.529 -33.313 1.00 24.20 H new ATOM 0 HB2 GLU A 84 -5.649 -41.613 -31.001 1.00 12.30 H new ATOM 0 HB3 GLU A 84 -5.088 -43.012 -31.894 1.00 12.30 H new ATOM 0 HG2 GLU A 84 -5.804 -41.153 -33.879 1.00 72.53 H new ATOM 0 HG3 GLU A 84 -5.035 -40.191 -32.632 1.00 72.53 H new ATOM 1355 N LEU A 85 -7.742 -44.013 -30.416 1.00 75.15 N ATOM 1356 CA LEU A 85 -8.010 -45.297 -29.778 1.00 61.30 C ATOM 1357 C LEU A 85 -9.348 -45.866 -30.238 1.00 73.04 C ATOM 1358 O LEU A 85 -9.516 -47.082 -30.337 1.00 54.41 O ATOM 1359 CB LEU A 85 -8.005 -45.143 -28.256 1.00 64.41 C ATOM 1360 CG LEU A 85 -6.696 -45.500 -27.550 1.00 40.20 C ATOM 1361 CD1 LEU A 85 -5.785 -44.285 -27.469 1.00 12.34 C ATOM 1362 CD2 LEU A 85 -6.974 -46.055 -26.160 1.00 43.45 C ATOM 0 H LEU A 85 -7.838 -43.207 -29.798 1.00 75.15 H new ATOM 0 HA LEU A 85 -7.222 -45.991 -30.070 1.00 61.30 H new ATOM 0 HB2 LEU A 85 -8.255 -44.110 -28.014 1.00 64.41 H new ATOM 0 HB3 LEU A 85 -8.798 -45.767 -27.845 1.00 64.41 H new ATOM 0 HG LEU A 85 -6.189 -46.270 -28.132 1.00 40.20 H new ATOM 0 HD11 LEU A 85 -4.859 -44.558 -26.964 1.00 12.34 H new ATOM 0 HD12 LEU A 85 -5.559 -43.932 -28.475 1.00 12.34 H new ATOM 0 HD13 LEU A 85 -6.284 -43.493 -26.910 1.00 12.34 H new ATOM 0 HD21 LEU A 85 -6.031 -46.304 -25.672 1.00 43.45 H new ATOM 0 HD22 LEU A 85 -7.502 -45.307 -25.569 1.00 43.45 H new ATOM 0 HD23 LEU A 85 -7.588 -46.952 -26.242 1.00 43.45 H new ATOM 1374 N ARG A 86 -10.297 -44.979 -30.521 1.00 3.12 N ATOM 1375 CA ARG A 86 -11.620 -45.393 -30.972 1.00 1.51 C ATOM 1376 C ARG A 86 -11.566 -45.921 -32.402 1.00 40.14 C ATOM 1377 O ARG A 86 -12.036 -47.023 -32.685 1.00 12.43 O ATOM 1378 CB ARG A 86 -12.601 -44.222 -30.886 1.00 45.51 C ATOM 1379 CG ARG A 86 -14.037 -44.648 -30.632 1.00 53.42 C ATOM 1380 CD ARG A 86 -14.643 -43.892 -29.460 1.00 34.42 C ATOM 1381 NE ARG A 86 -15.961 -43.350 -29.781 1.00 1.24 N ATOM 1382 CZ ARG A 86 -16.859 -43.011 -28.863 1.00 35.02 C ATOM 1383 NH1 ARG A 86 -16.584 -43.158 -27.574 1.00 43.33 N ATOM 1384 NH2 ARG A 86 -18.037 -42.524 -29.233 1.00 42.24 N ATOM 0 H ARG A 86 -10.174 -43.969 -30.446 1.00 3.12 H new ATOM 0 HA ARG A 86 -11.964 -46.195 -30.319 1.00 1.51 H new ATOM 0 HB2 ARG A 86 -12.283 -43.551 -30.088 1.00 45.51 H new ATOM 0 HB3 ARG A 86 -12.558 -43.654 -31.816 1.00 45.51 H new ATOM 0 HG2 ARG A 86 -14.634 -44.472 -31.527 1.00 53.42 H new ATOM 0 HG3 ARG A 86 -14.070 -45.719 -30.432 1.00 53.42 H new ATOM 0 HD2 ARG A 86 -14.724 -44.559 -28.602 1.00 34.42 H new ATOM 0 HD3 ARG A 86 -13.977 -43.079 -29.170 1.00 34.42 H new ATOM 0 HE ARG A 86 -16.205 -43.225 -30.764 1.00 1.24 H new ATOM 0 HH11 ARG A 86 -15.680 -43.532 -27.285 1.00 43.33 H new ATOM 0 HH12 ARG A 86 -17.276 -42.897 -26.872 1.00 43.33 H new ATOM 0 HH21 ARG A 86 -18.253 -42.410 -30.223 1.00 42.24 H new ATOM 0 HH22 ARG A 86 -18.726 -42.264 -28.527 1.00 42.24 H new ATOM 1398 N GLN A 87 -10.990 -45.127 -33.300 1.00 33.23 N ATOM 1399 CA GLN A 87 -10.877 -45.515 -34.701 1.00 25.14 C ATOM 1400 C GLN A 87 -9.994 -46.750 -34.854 1.00 11.52 C ATOM 1401 O GLN A 87 -10.300 -47.650 -35.634 1.00 73.32 O ATOM 1402 CB GLN A 87 -10.307 -44.361 -35.527 1.00 3.43 C ATOM 1403 CG GLN A 87 -11.104 -43.072 -35.403 1.00 74.52 C ATOM 1404 CD GLN A 87 -11.719 -42.638 -36.719 1.00 73.31 C ATOM 1405 OE1 GLN A 87 -12.893 -42.899 -36.985 1.00 11.31 O ATOM 1406 NE2 GLN A 87 -10.928 -41.972 -37.551 1.00 63.04 N ATOM 0 H GLN A 87 -10.595 -44.212 -33.082 1.00 33.23 H new ATOM 0 HA GLN A 87 -11.875 -45.756 -35.067 1.00 25.14 H new ATOM 0 HB2 GLN A 87 -9.279 -44.175 -35.215 1.00 3.43 H new ATOM 0 HB3 GLN A 87 -10.273 -44.658 -36.575 1.00 3.43 H new ATOM 0 HG2 GLN A 87 -11.894 -43.207 -34.664 1.00 74.52 H new ATOM 0 HG3 GLN A 87 -10.453 -42.281 -35.032 1.00 74.52 H new ATOM 0 HE21 GLN A 87 -9.961 -41.777 -37.290 1.00 63.04 H new ATOM 0 HE22 GLN A 87 -11.287 -41.655 -38.452 1.00 63.04 H new ATOM 1415 N ALA A 88 -8.897 -46.784 -34.104 1.00 14.42 N ATOM 1416 CA ALA A 88 -7.971 -47.908 -34.155 1.00 74.12 C ATOM 1417 C ALA A 88 -8.616 -49.176 -33.605 1.00 11.44 C ATOM 1418 O ALA A 88 -8.493 -50.251 -34.191 1.00 13.32 O ATOM 1419 CB ALA A 88 -6.701 -47.582 -33.384 1.00 14.44 C ATOM 0 H ALA A 88 -8.628 -46.045 -33.454 1.00 14.42 H new ATOM 0 HA ALA A 88 -7.713 -48.086 -35.199 1.00 74.12 H new ATOM 0 HB1 ALA A 88 -6.019 -48.431 -33.431 1.00 14.44 H new ATOM 0 HB2 ALA A 88 -6.223 -46.707 -33.824 1.00 14.44 H new ATOM 0 HB3 ALA A 88 -6.950 -47.374 -32.343 1.00 14.44 H new ATOM 1425 N ALA A 89 -9.303 -49.042 -32.475 1.00 4.15 N ATOM 1426 CA ALA A 89 -9.967 -50.177 -31.846 1.00 15.52 C ATOM 1427 C ALA A 89 -11.156 -50.647 -32.678 1.00 44.31 C ATOM 1428 O ALA A 89 -11.373 -51.847 -32.842 1.00 52.43 O ATOM 1429 CB ALA A 89 -10.418 -49.811 -30.439 1.00 63.21 C ATOM 0 H ALA A 89 -9.414 -48.159 -31.977 1.00 4.15 H new ATOM 0 HA ALA A 89 -9.252 -50.997 -31.785 1.00 15.52 H new ATOM 0 HB1 ALA A 89 -10.912 -50.668 -29.981 1.00 63.21 H new ATOM 0 HB2 ALA A 89 -9.551 -49.530 -29.841 1.00 63.21 H new ATOM 0 HB3 ALA A 89 -11.114 -48.973 -30.486 1.00 63.21 H new ATOM 1435 N GLU A 90 -11.921 -49.693 -33.200 1.00 61.43 N ATOM 1436 CA GLU A 90 -13.088 -50.012 -34.014 1.00 50.13 C ATOM 1437 C GLU A 90 -12.670 -50.609 -35.355 1.00 3.20 C ATOM 1438 O GLU A 90 -13.235 -51.605 -35.806 1.00 44.04 O ATOM 1439 CB GLU A 90 -13.935 -48.758 -34.244 1.00 20.43 C ATOM 1440 CG GLU A 90 -14.901 -48.461 -33.109 1.00 52.34 C ATOM 1441 CD GLU A 90 -15.465 -47.055 -33.177 1.00 51.32 C ATOM 1442 OE1 GLU A 90 -14.927 -46.236 -33.950 1.00 45.55 O ATOM 1443 OE2 GLU A 90 -16.446 -46.774 -32.456 1.00 63.14 O ATOM 0 H GLU A 90 -11.754 -48.695 -33.074 1.00 61.43 H new ATOM 0 HA GLU A 90 -13.683 -50.751 -33.477 1.00 50.13 H new ATOM 0 HB2 GLU A 90 -13.273 -47.903 -34.380 1.00 20.43 H new ATOM 0 HB3 GLU A 90 -14.499 -48.875 -35.169 1.00 20.43 H new ATOM 0 HG2 GLU A 90 -15.721 -49.179 -33.137 1.00 52.34 H new ATOM 0 HG3 GLU A 90 -14.390 -48.598 -32.156 1.00 52.34 H new ATOM 1450 N SER A 91 -11.676 -49.992 -35.987 1.00 14.43 N ATOM 1451 CA SER A 91 -11.185 -50.458 -37.278 1.00 24.33 C ATOM 1452 C SER A 91 -10.630 -51.875 -37.168 1.00 34.51 C ATOM 1453 O SER A 91 -10.893 -52.724 -38.020 1.00 14.04 O ATOM 1454 CB SER A 91 -10.102 -49.515 -37.806 1.00 54.14 C ATOM 1455 OG SER A 91 -9.580 -49.978 -39.039 1.00 61.25 O ATOM 0 H SER A 91 -11.195 -49.168 -35.625 1.00 14.43 H new ATOM 0 HA SER A 91 -12.022 -50.466 -37.976 1.00 24.33 H new ATOM 0 HB2 SER A 91 -10.517 -48.516 -37.936 1.00 54.14 H new ATOM 0 HB3 SER A 91 -9.298 -49.434 -37.075 1.00 54.14 H new ATOM 0 HG SER A 91 -8.891 -49.357 -39.356 1.00 61.25 H new ATOM 1461 N MET A 92 -9.862 -52.123 -36.113 1.00 23.35 N ATOM 1462 CA MET A 92 -9.271 -53.438 -35.890 1.00 2.22 C ATOM 1463 C MET A 92 -10.346 -54.468 -35.560 1.00 21.41 C ATOM 1464 O MET A 92 -10.315 -55.594 -36.058 1.00 32.13 O ATOM 1465 CB MET A 92 -8.244 -53.374 -34.757 1.00 54.11 C ATOM 1466 CG MET A 92 -6.812 -53.222 -35.243 1.00 11.23 C ATOM 1467 SD MET A 92 -5.602 -53.741 -34.011 1.00 11.33 S ATOM 1468 CE MET A 92 -6.259 -52.957 -32.540 1.00 70.21 C ATOM 0 H MET A 92 -9.634 -51.431 -35.399 1.00 23.35 H new ATOM 0 HA MET A 92 -8.769 -53.744 -36.808 1.00 2.22 H new ATOM 0 HB2 MET A 92 -8.488 -52.537 -34.103 1.00 54.11 H new ATOM 0 HB3 MET A 92 -8.321 -54.280 -34.156 1.00 54.11 H new ATOM 0 HG2 MET A 92 -6.676 -53.810 -36.151 1.00 11.23 H new ATOM 0 HG3 MET A 92 -6.631 -52.180 -35.508 1.00 11.23 H new ATOM 0 HE1 MET A 92 -5.493 -52.939 -31.764 1.00 70.21 H new ATOM 0 HE2 MET A 92 -6.561 -51.936 -32.776 1.00 70.21 H new ATOM 0 HE3 MET A 92 -7.123 -53.518 -32.184 1.00 70.21 H new ATOM 1478 N LYS A 93 -11.296 -54.077 -34.718 1.00 1.34 N ATOM 1479 CA LYS A 93 -12.382 -54.966 -34.321 1.00 42.54 C ATOM 1480 C LYS A 93 -13.395 -55.124 -35.451 1.00 23.12 C ATOM 1481 O LYS A 93 -14.213 -56.043 -35.438 1.00 74.54 O ATOM 1482 CB LYS A 93 -13.078 -54.427 -33.069 1.00 71.15 C ATOM 1483 CG LYS A 93 -14.255 -53.515 -33.372 1.00 65.44 C ATOM 1484 CD LYS A 93 -15.563 -54.286 -33.405 1.00 75.41 C ATOM 1485 CE LYS A 93 -16.471 -53.797 -34.524 1.00 24.13 C ATOM 1486 NZ LYS A 93 -17.888 -53.687 -34.080 1.00 41.22 N ATOM 0 H LYS A 93 -11.336 -53.149 -34.297 1.00 1.34 H new ATOM 0 HA LYS A 93 -11.956 -55.944 -34.099 1.00 42.54 H new ATOM 0 HB2 LYS A 93 -13.425 -55.267 -32.467 1.00 71.15 H new ATOM 0 HB3 LYS A 93 -12.352 -53.881 -32.466 1.00 71.15 H new ATOM 0 HG2 LYS A 93 -14.313 -52.731 -32.617 1.00 65.44 H new ATOM 0 HG3 LYS A 93 -14.097 -53.023 -34.332 1.00 65.44 H new ATOM 0 HD2 LYS A 93 -15.357 -55.348 -33.540 1.00 75.41 H new ATOM 0 HD3 LYS A 93 -16.074 -54.179 -32.448 1.00 75.41 H new ATOM 0 HE2 LYS A 93 -16.124 -52.825 -34.875 1.00 24.13 H new ATOM 0 HE3 LYS A 93 -16.407 -54.482 -35.369 1.00 24.13 H new ATOM 0 HZ1 LYS A 93 -18.514 -53.704 -34.910 1.00 41.22 H new ATOM 0 HZ2 LYS A 93 -18.119 -54.486 -33.456 1.00 41.22 H new ATOM 0 HZ3 LYS A 93 -18.022 -52.794 -33.564 1.00 41.22 H new ATOM 1500 N ARG A 94 -13.332 -54.223 -36.426 1.00 75.41 N ATOM 1501 CA ARG A 94 -14.244 -54.264 -37.563 1.00 33.20 C ATOM 1502 C ARG A 94 -13.698 -55.166 -38.666 1.00 41.31 C ATOM 1503 O ARG A 94 -14.455 -55.851 -39.354 1.00 1.15 O ATOM 1504 CB ARG A 94 -14.475 -52.854 -38.110 1.00 32.15 C ATOM 1505 CG ARG A 94 -15.463 -52.802 -39.263 1.00 72.44 C ATOM 1506 CD ARG A 94 -16.506 -51.716 -39.055 1.00 53.44 C ATOM 1507 NE ARG A 94 -17.522 -52.110 -38.083 1.00 23.52 N ATOM 1508 CZ ARG A 94 -18.549 -51.342 -37.740 1.00 13.30 C ATOM 1509 NH1 ARG A 94 -18.697 -50.144 -38.288 1.00 51.43 N ATOM 1510 NH2 ARG A 94 -19.432 -51.771 -36.847 1.00 60.22 N ATOM 0 H ARG A 94 -12.660 -53.456 -36.452 1.00 75.41 H new ATOM 0 HA ARG A 94 -15.194 -54.673 -37.220 1.00 33.20 H new ATOM 0 HB2 ARG A 94 -14.837 -52.216 -37.304 1.00 32.15 H new ATOM 0 HB3 ARG A 94 -13.522 -52.441 -38.441 1.00 32.15 H new ATOM 0 HG2 ARG A 94 -14.927 -52.620 -40.195 1.00 72.44 H new ATOM 0 HG3 ARG A 94 -15.957 -53.768 -39.364 1.00 72.44 H new ATOM 0 HD2 ARG A 94 -16.016 -50.803 -38.717 1.00 53.44 H new ATOM 0 HD3 ARG A 94 -16.985 -51.487 -40.007 1.00 53.44 H new ATOM 0 HE ARG A 94 -17.438 -53.026 -37.643 1.00 23.52 H new ATOM 0 HH11 ARG A 94 -18.021 -49.810 -38.975 1.00 51.43 H new ATOM 0 HH12 ARG A 94 -19.487 -49.556 -38.023 1.00 51.43 H new ATOM 0 HH21 ARG A 94 -19.322 -52.692 -36.423 1.00 60.22 H new ATOM 0 HH22 ARG A 94 -20.220 -51.180 -36.585 1.00 60.22 H new ATOM 1524 N SER A 95 -12.379 -55.159 -38.829 1.00 63.25 N ATOM 1525 CA SER A 95 -11.731 -55.973 -39.852 1.00 11.23 C ATOM 1526 C SER A 95 -11.393 -57.358 -39.310 1.00 33.41 C ATOM 1527 O SER A 95 -11.236 -58.313 -40.071 1.00 23.42 O ATOM 1528 CB SER A 95 -10.460 -55.284 -40.352 1.00 24.33 C ATOM 1529 OG SER A 95 -10.600 -53.874 -40.329 1.00 35.41 O ATOM 0 H SER A 95 -11.738 -54.599 -38.267 1.00 63.25 H new ATOM 0 HA SER A 95 -12.425 -56.087 -40.685 1.00 11.23 H new ATOM 0 HB2 SER A 95 -9.615 -55.579 -39.730 1.00 24.33 H new ATOM 0 HB3 SER A 95 -10.239 -55.614 -41.367 1.00 24.33 H new ATOM 0 HG SER A 95 -10.512 -53.551 -39.408 1.00 35.41 H new ATOM 1535 N TYR A 96 -11.283 -57.460 -37.990 1.00 15.30 N ATOM 1536 CA TYR A 96 -10.962 -58.727 -37.345 1.00 21.12 C ATOM 1537 C TYR A 96 -12.231 -59.501 -37.000 1.00 51.54 C ATOM 1538 O TYR A 96 -12.297 -60.718 -37.174 1.00 10.40 O ATOM 1539 CB TYR A 96 -10.140 -58.484 -36.078 1.00 63.41 C ATOM 1540 CG TYR A 96 -9.935 -59.727 -35.242 1.00 30.34 C ATOM 1541 CD1 TYR A 96 -9.849 -60.981 -35.834 1.00 45.00 C ATOM 1542 CD2 TYR A 96 -9.827 -59.647 -33.859 1.00 31.44 C ATOM 1543 CE1 TYR A 96 -9.662 -62.119 -35.074 1.00 34.15 C ATOM 1544 CE2 TYR A 96 -9.639 -60.780 -33.090 1.00 74.12 C ATOM 1545 CZ TYR A 96 -9.558 -62.014 -33.702 1.00 52.52 C ATOM 1546 OH TYR A 96 -9.371 -63.145 -32.941 1.00 53.32 O ATOM 0 H TYR A 96 -11.412 -56.680 -37.346 1.00 15.30 H new ATOM 0 HA TYR A 96 -10.374 -59.322 -38.044 1.00 21.12 H new ATOM 0 HB2 TYR A 96 -9.167 -58.080 -36.358 1.00 63.41 H new ATOM 0 HB3 TYR A 96 -10.637 -57.727 -35.472 1.00 63.41 H new ATOM 0 HD1 TYR A 96 -9.930 -61.067 -36.907 1.00 45.00 H new ATOM 0 HD2 TYR A 96 -9.891 -58.683 -33.377 1.00 31.44 H new ATOM 0 HE1 TYR A 96 -9.598 -63.086 -35.551 1.00 34.15 H new ATOM 0 HE2 TYR A 96 -9.556 -60.700 -32.016 1.00 74.12 H new ATOM 0 HH TYR A 96 -9.317 -62.897 -31.994 1.00 53.32 H new ATOM 1556 N VAL A 97 -13.238 -58.784 -36.511 1.00 74.23 N ATOM 1557 CA VAL A 97 -14.507 -59.401 -36.144 1.00 13.04 C ATOM 1558 C VAL A 97 -15.552 -59.202 -37.236 1.00 61.41 C ATOM 1559 O VAL A 97 -16.601 -58.602 -37.004 1.00 44.44 O ATOM 1560 CB VAL A 97 -15.048 -58.826 -34.821 1.00 32.32 C ATOM 1561 CG1 VAL A 97 -16.105 -59.748 -34.231 1.00 2.34 C ATOM 1562 CG2 VAL A 97 -13.913 -58.603 -33.834 1.00 5.33 C ATOM 0 H VAL A 97 -13.200 -57.776 -36.360 1.00 74.23 H new ATOM 0 HA VAL A 97 -14.316 -60.467 -36.018 1.00 13.04 H new ATOM 0 HB VAL A 97 -15.514 -57.863 -35.027 1.00 32.32 H new ATOM 0 HG11 VAL A 97 -16.476 -59.326 -33.297 1.00 2.34 H new ATOM 0 HG12 VAL A 97 -16.931 -59.852 -34.935 1.00 2.34 H new ATOM 0 HG13 VAL A 97 -15.667 -60.727 -34.038 1.00 2.34 H new ATOM 0 HG21 VAL A 97 -14.313 -58.197 -32.905 1.00 5.33 H new ATOM 0 HG22 VAL A 97 -13.416 -59.552 -33.631 1.00 5.33 H new ATOM 0 HG23 VAL A 97 -13.195 -57.901 -34.258 1.00 5.33 H new ATOM 1572 N ALA A 98 -15.258 -59.712 -38.428 1.00 1.22 N ATOM 1573 CA ALA A 98 -16.173 -59.593 -39.556 1.00 42.13 C ATOM 1574 C ALA A 98 -15.588 -60.239 -40.808 1.00 32.24 C ATOM 1575 O ALA A 98 -16.254 -61.024 -41.481 1.00 33.31 O ATOM 1576 CB ALA A 98 -16.500 -58.130 -39.819 1.00 25.21 C ATOM 0 H ALA A 98 -14.393 -60.211 -38.637 1.00 1.22 H new ATOM 0 HA ALA A 98 -17.093 -60.120 -39.302 1.00 42.13 H new ATOM 0 HB1 ALA A 98 -17.184 -58.056 -40.664 1.00 25.21 H new ATOM 0 HB2 ALA A 98 -16.968 -57.697 -38.935 1.00 25.21 H new ATOM 0 HB3 ALA A 98 -15.583 -57.587 -40.047 1.00 25.21 H new ATOM 1582 N ASN A 99 -14.339 -59.903 -41.113 1.00 72.02 N ATOM 1583 CA ASN A 99 -13.665 -60.450 -42.285 1.00 74.31 C ATOM 1584 C ASN A 99 -12.159 -60.535 -42.056 1.00 73.44 C ATOM 1585 O ASN A 99 -11.389 -59.768 -42.634 1.00 30.02 O ATOM 1586 CB ASN A 99 -13.958 -59.589 -43.516 1.00 23.43 C ATOM 1587 CG ASN A 99 -15.306 -58.900 -43.432 1.00 3.42 C ATOM 1588 OD1 ASN A 99 -16.347 -59.520 -43.647 1.00 12.34 O ATOM 1589 ND2 ASN A 99 -15.291 -57.609 -43.118 1.00 73.31 N ATOM 0 H ASN A 99 -13.773 -59.255 -40.565 1.00 72.02 H new ATOM 0 HA ASN A 99 -14.046 -61.457 -42.456 1.00 74.31 H new ATOM 0 HB2 ASN A 99 -13.175 -58.838 -43.625 1.00 23.43 H new ATOM 0 HB3 ASN A 99 -13.927 -60.214 -44.409 1.00 23.43 H new ATOM 0 HD21 ASN A 99 -16.167 -57.091 -43.047 1.00 73.31 H new ATOM 0 HD22 ASN A 99 -14.404 -57.136 -42.948 1.00 73.31 H new ATOM 1596 N ASP A 100 -11.747 -61.474 -41.211 1.00 52.31 N ATOM 1597 CA ASP A 100 -10.333 -61.661 -40.907 1.00 33.01 C ATOM 1598 C ASP A 100 -9.848 -63.022 -41.397 1.00 4.41 C ATOM 1599 O ASP A 100 -9.829 -64.005 -40.656 1.00 44.13 O ATOM 1600 CB ASP A 100 -10.092 -61.531 -39.402 1.00 61.12 C ATOM 1601 CG ASP A 100 -8.768 -60.865 -39.084 1.00 22.14 C ATOM 1602 OD1 ASP A 100 -8.450 -59.842 -39.724 1.00 44.33 O ATOM 1603 OD2 ASP A 100 -8.049 -61.368 -38.194 1.00 52.22 O ATOM 0 H ASP A 100 -12.372 -62.117 -40.725 1.00 52.31 H new ATOM 0 HA ASP A 100 -9.769 -60.886 -41.426 1.00 33.01 H new ATOM 0 HB2 ASP A 100 -10.902 -60.954 -38.956 1.00 61.12 H new ATOM 0 HB3 ASP A 100 -10.116 -62.521 -38.946 1.00 61.12 H new ATOM 1608 N PRO A 101 -9.446 -63.082 -42.675 1.00 52.33 N ATOM 1609 CA PRO A 101 -8.954 -64.316 -43.293 1.00 63.52 C ATOM 1610 C PRO A 101 -7.595 -64.737 -42.744 1.00 63.33 C ATOM 1611 O PRO A 101 -7.103 -65.826 -43.043 1.00 71.44 O ATOM 1612 CB PRO A 101 -8.842 -63.951 -44.775 1.00 61.35 C ATOM 1613 CG PRO A 101 -8.660 -62.473 -44.789 1.00 2.23 C ATOM 1614 CD PRO A 101 -9.442 -61.949 -43.616 1.00 3.30 C ATOM 0 HA PRO A 101 -9.614 -65.161 -43.097 1.00 63.52 H new ATOM 0 HB2 PRO A 101 -7.999 -64.458 -45.245 1.00 61.35 H new ATOM 0 HB3 PRO A 101 -9.737 -64.245 -45.324 1.00 61.35 H new ATOM 0 HG2 PRO A 101 -7.606 -62.209 -44.705 1.00 2.23 H new ATOM 0 HG3 PRO A 101 -9.023 -62.044 -45.723 1.00 2.23 H new ATOM 0 HD2 PRO A 101 -8.972 -61.067 -43.181 1.00 3.30 H new ATOM 0 HD3 PRO A 101 -10.453 -61.662 -43.903 1.00 3.30 H new ATOM 1622 N LEU A 102 -6.992 -63.869 -41.940 1.00 12.23 N ATOM 1623 CA LEU A 102 -5.689 -64.151 -41.348 1.00 0.21 C ATOM 1624 C LEU A 102 -5.822 -65.114 -40.173 1.00 24.41 C ATOM 1625 O LEU A 102 -4.825 -65.624 -39.661 1.00 74.33 O ATOM 1626 CB LEU A 102 -5.025 -62.853 -40.885 1.00 53.43 C ATOM 1627 CG LEU A 102 -5.964 -61.777 -40.338 1.00 50.45 C ATOM 1628 CD1 LEU A 102 -5.342 -61.088 -39.133 1.00 53.05 C ATOM 1629 CD2 LEU A 102 -6.300 -60.761 -41.421 1.00 64.31 C ATOM 0 H LEU A 102 -7.385 -62.963 -41.683 1.00 12.23 H new ATOM 0 HA LEU A 102 -5.065 -64.619 -42.110 1.00 0.21 H new ATOM 0 HB2 LEU A 102 -4.295 -63.097 -40.113 1.00 53.43 H new ATOM 0 HB3 LEU A 102 -4.472 -62.432 -41.724 1.00 53.43 H new ATOM 0 HG LEU A 102 -6.889 -62.257 -40.019 1.00 50.45 H new ATOM 0 HD11 LEU A 102 -6.024 -60.326 -38.757 1.00 53.05 H new ATOM 0 HD12 LEU A 102 -5.153 -61.823 -38.351 1.00 53.05 H new ATOM 0 HD13 LEU A 102 -4.402 -60.621 -39.426 1.00 53.05 H new ATOM 0 HD21 LEU A 102 -6.969 -60.003 -41.014 1.00 64.31 H new ATOM 0 HD22 LEU A 102 -5.384 -60.286 -41.771 1.00 64.31 H new ATOM 0 HD23 LEU A 102 -6.788 -61.266 -42.255 1.00 64.31 H new ATOM 1641 N GLU A 103 -7.058 -65.360 -39.752 1.00 75.13 N ATOM 1642 CA GLU A 103 -7.320 -66.264 -38.638 1.00 54.04 C ATOM 1643 C GLU A 103 -7.712 -67.650 -39.143 1.00 1.11 C ATOM 1644 O GLU A 103 -8.455 -68.376 -38.482 1.00 72.33 O ATOM 1645 CB GLU A 103 -8.429 -65.702 -37.746 1.00 53.14 C ATOM 1646 CG GLU A 103 -9.810 -65.771 -38.376 1.00 14.40 C ATOM 1647 CD GLU A 103 -10.680 -66.848 -37.758 1.00 13.00 C ATOM 1648 OE1 GLU A 103 -10.711 -66.943 -36.513 1.00 62.30 O ATOM 1649 OE2 GLU A 103 -11.330 -67.596 -38.518 1.00 41.44 O ATOM 0 H GLU A 103 -7.894 -64.946 -40.165 1.00 75.13 H new ATOM 0 HA GLU A 103 -6.404 -66.354 -38.054 1.00 54.04 H new ATOM 0 HB2 GLU A 103 -8.440 -66.252 -36.805 1.00 53.14 H new ATOM 0 HB3 GLU A 103 -8.200 -64.664 -37.506 1.00 53.14 H new ATOM 0 HG2 GLU A 103 -10.303 -64.805 -38.268 1.00 14.40 H new ATOM 0 HG3 GLU A 103 -9.709 -65.960 -39.445 1.00 14.40 H new ATOM 1656 N HIS A 104 -7.207 -68.010 -40.319 1.00 2.24 N ATOM 1657 CA HIS A 104 -7.503 -69.309 -40.913 1.00 11.42 C ATOM 1658 C HIS A 104 -8.994 -69.443 -41.209 1.00 43.15 C ATOM 1659 O HIS A 104 -9.483 -68.937 -42.220 1.00 60.42 O ATOM 1660 CB HIS A 104 -7.053 -70.434 -39.981 1.00 33.03 C ATOM 1661 CG HIS A 104 -7.069 -71.787 -40.624 1.00 12.43 C ATOM 1662 ND1 HIS A 104 -8.198 -72.336 -41.194 1.00 53.40 N ATOM 1663 CD2 HIS A 104 -6.085 -72.701 -40.786 1.00 63.23 C ATOM 1664 CE1 HIS A 104 -7.908 -73.530 -41.678 1.00 70.00 C ATOM 1665 NE2 HIS A 104 -6.632 -73.776 -41.444 1.00 5.51 N ATOM 0 H HIS A 104 -6.591 -67.421 -40.879 1.00 2.24 H new ATOM 0 HA HIS A 104 -6.955 -69.385 -41.852 1.00 11.42 H new ATOM 0 HB2 HIS A 104 -6.044 -70.221 -39.628 1.00 33.03 H new ATOM 0 HB3 HIS A 104 -7.701 -70.450 -39.105 1.00 33.03 H new ATOM 0 HD2 HIS A 104 -5.060 -72.604 -40.459 1.00 63.23 H new ATOM 0 HE1 HIS A 104 -8.597 -74.193 -42.180 1.00 70.00 H new ATOM 0 HE2 HIS A 104 -6.134 -74.626 -41.709 1.00 5.51 H new TER 1673 HIS A 104