USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 731 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 14 SER OG : rot 180:sc= -0.0518 USER MOD Set 1.2: A 34 SER OG : rot -55:sc= 0.194 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 4 HIS : no HD1:sc= -0.218 X(o=-0.22,f=0.023) USER MOD Single : A 5 HIS : no HD1:sc= -0.015 X(o=-0.015,f=-0.015) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 51:sc= 0.0328 USER MOD Single : A 10 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.068) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot -140:sc= 0 USER MOD Single : A 21 HIS :FLIP no HD1:sc= -0.279 F(o=-2.8!,f=-0.28) USER MOD Single : A 23 ASN : amide:sc= -0.443 K(o=-0.44,f=-3.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 37 MET CE :methyl -167:sc= 0 (180deg=-0.465) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 153:sc= 1.34 (180deg=1.01) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 CYS SG : rot 74:sc= 1.23 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.87 USER MOD Single : A 57 MET CE :methyl 162:sc= -0.341 (180deg=-0.998) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 79:sc= 1.27 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0525 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc=-0.000559 USER MOD Single : A 76 SER OG : rot 111:sc= 1.21 USER MOD Single : A 83 SER OG : rot -67:sc= 0.818 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 29.858 -0.006 -17.850 1.00 51.41 N ATOM 2 CA MET A 1 28.685 0.105 -16.955 1.00 74.31 C ATOM 3 C MET A 1 27.406 -0.021 -17.769 1.00 42.33 C ATOM 4 O MET A 1 27.132 0.808 -18.642 1.00 53.12 O ATOM 5 CB MET A 1 28.715 1.445 -16.203 1.00 44.01 C ATOM 6 CG MET A 1 27.746 1.527 -15.030 1.00 34.03 C ATOM 7 SD MET A 1 26.024 1.740 -15.531 1.00 73.33 S ATOM 8 CE MET A 1 25.211 1.654 -13.937 1.00 33.34 C ATOM 0 H1 MET A 1 30.731 0.080 -17.291 1.00 51.41 H new ATOM 0 H2 MET A 1 29.843 -0.929 -18.329 1.00 51.41 H new ATOM 0 H3 MET A 1 29.826 0.753 -18.561 1.00 51.41 H new ATOM 0 HA MET A 1 28.717 -0.700 -16.221 1.00 74.31 H new ATOM 0 HB2 MET A 1 29.727 1.620 -15.837 1.00 44.01 H new ATOM 0 HB3 MET A 1 28.487 2.247 -16.905 1.00 44.01 H new ATOM 0 HG2 MET A 1 27.833 0.619 -14.433 1.00 34.03 H new ATOM 0 HG3 MET A 1 28.035 2.359 -14.388 1.00 34.03 H new ATOM 0 HE1 MET A 1 24.135 1.769 -14.071 1.00 33.34 H new ATOM 0 HE2 MET A 1 25.418 0.689 -13.474 1.00 33.34 H new ATOM 0 HE3 MET A 1 25.584 2.452 -13.295 1.00 33.34 H new ATOM 20 N GLY A 2 26.629 -1.056 -17.488 1.00 35.42 N ATOM 21 CA GLY A 2 25.403 -1.291 -18.225 1.00 22.22 C ATOM 22 C GLY A 2 24.182 -1.181 -17.337 1.00 50.23 C ATOM 23 O GLY A 2 24.194 -1.645 -16.195 1.00 31.24 O ATOM 0 H GLY A 2 26.826 -1.741 -16.759 1.00 35.42 H new ATOM 0 HA2 GLY A 2 25.325 -0.571 -19.040 1.00 22.22 H new ATOM 0 HA3 GLY A 2 25.435 -2.282 -18.677 1.00 22.22 H new ATOM 27 N HIS A 3 23.129 -0.568 -17.852 1.00 34.30 N ATOM 28 CA HIS A 3 21.904 -0.404 -17.089 1.00 0.25 C ATOM 29 C HIS A 3 21.067 -1.668 -17.175 1.00 22.43 C ATOM 30 O HIS A 3 20.575 -2.027 -18.245 1.00 53.42 O ATOM 31 CB HIS A 3 21.084 0.782 -17.608 1.00 65.54 C ATOM 32 CG HIS A 3 21.736 2.117 -17.430 1.00 42.31 C ATOM 33 ND1 HIS A 3 22.076 2.928 -18.487 1.00 71.11 N ATOM 34 CD2 HIS A 3 22.081 2.795 -16.312 1.00 43.52 C ATOM 35 CE1 HIS A 3 22.603 4.048 -18.029 1.00 72.31 C ATOM 36 NE2 HIS A 3 22.618 3.997 -16.711 1.00 74.41 N ATOM 0 H HIS A 3 23.098 -0.177 -18.793 1.00 34.30 H new ATOM 0 HA HIS A 3 22.178 -0.211 -16.052 1.00 0.25 H new ATOM 0 HB2 HIS A 3 20.881 0.630 -18.668 1.00 65.54 H new ATOM 0 HB3 HIS A 3 20.121 0.792 -17.097 1.00 65.54 H new ATOM 0 HD2 HIS A 3 21.958 2.456 -15.294 1.00 43.52 H new ATOM 0 HE1 HIS A 3 22.962 4.869 -18.632 1.00 72.31 H new ATOM 0 HE2 HIS A 3 22.969 4.727 -16.091 1.00 74.41 H new ATOM 45 N HIS A 4 20.910 -2.345 -16.052 1.00 44.45 N ATOM 46 CA HIS A 4 20.081 -3.536 -15.992 1.00 53.52 C ATOM 47 C HIS A 4 18.628 -3.142 -15.761 1.00 34.41 C ATOM 48 O HIS A 4 18.004 -3.552 -14.780 1.00 53.43 O ATOM 49 CB HIS A 4 20.565 -4.489 -14.893 1.00 15.23 C ATOM 50 CG HIS A 4 21.855 -5.183 -15.218 1.00 10.10 C ATOM 51 ND1 HIS A 4 21.990 -6.552 -15.221 1.00 42.13 N ATOM 52 CD2 HIS A 4 23.075 -4.690 -15.555 1.00 62.23 C ATOM 53 CE1 HIS A 4 23.228 -6.873 -15.544 1.00 34.15 C ATOM 54 NE2 HIS A 4 23.907 -5.764 -15.754 1.00 12.42 N ATOM 0 H HIS A 4 21.347 -2.090 -15.166 1.00 44.45 H new ATOM 0 HA HIS A 4 20.159 -4.062 -16.944 1.00 53.52 H new ATOM 0 HB2 HIS A 4 20.689 -3.928 -13.967 1.00 15.23 H new ATOM 0 HB3 HIS A 4 19.796 -5.239 -14.711 1.00 15.23 H new ATOM 0 HD2 HIS A 4 23.341 -3.648 -15.649 1.00 62.23 H new ATOM 0 HE1 HIS A 4 23.619 -7.877 -15.623 1.00 34.15 H new ATOM 0 HE2 HIS A 4 24.890 -5.712 -16.021 1.00 12.42 H new ATOM 63 N HIS A 5 18.105 -2.331 -16.671 1.00 1.11 N ATOM 64 CA HIS A 5 16.731 -1.857 -16.584 1.00 2.21 C ATOM 65 C HIS A 5 15.778 -2.936 -17.084 1.00 24.41 C ATOM 66 O HIS A 5 15.229 -2.844 -18.182 1.00 51.41 O ATOM 67 CB HIS A 5 16.561 -0.560 -17.385 1.00 60.13 C ATOM 68 CG HIS A 5 15.193 0.054 -17.279 1.00 53.52 C ATOM 69 ND1 HIS A 5 14.744 0.700 -16.151 1.00 21.24 N ATOM 70 CD2 HIS A 5 14.182 0.125 -18.178 1.00 50.44 C ATOM 71 CE1 HIS A 5 13.517 1.144 -16.357 1.00 13.21 C ATOM 72 NE2 HIS A 5 13.152 0.810 -17.580 1.00 74.30 N ATOM 0 H HIS A 5 18.616 -1.986 -17.483 1.00 1.11 H new ATOM 0 HA HIS A 5 16.493 -1.642 -15.542 1.00 2.21 H new ATOM 0 HB2 HIS A 5 17.300 0.165 -17.043 1.00 60.13 H new ATOM 0 HB3 HIS A 5 16.776 -0.763 -18.434 1.00 60.13 H new ATOM 0 HD2 HIS A 5 14.185 -0.281 -19.179 1.00 50.44 H new ATOM 0 HE1 HIS A 5 12.915 1.688 -15.645 1.00 13.21 H new ATOM 0 HE2 HIS A 5 12.253 1.025 -18.011 1.00 74.30 H new ATOM 81 N HIS A 6 15.635 -3.973 -16.280 1.00 14.44 N ATOM 82 CA HIS A 6 14.760 -5.094 -16.584 1.00 71.34 C ATOM 83 C HIS A 6 14.719 -6.028 -15.386 1.00 62.15 C ATOM 84 O HIS A 6 15.705 -6.701 -15.078 1.00 65.34 O ATOM 85 CB HIS A 6 15.243 -5.849 -17.830 1.00 61.33 C ATOM 86 CG HIS A 6 14.340 -6.967 -18.244 1.00 41.32 C ATOM 87 ND1 HIS A 6 13.181 -6.771 -18.961 1.00 4.23 N ATOM 88 CD2 HIS A 6 14.430 -8.297 -18.032 1.00 42.44 C ATOM 89 CE1 HIS A 6 12.596 -7.933 -19.172 1.00 53.20 C ATOM 90 NE2 HIS A 6 13.336 -8.878 -18.618 1.00 71.00 N ATOM 0 H HIS A 6 16.126 -4.063 -15.390 1.00 14.44 H new ATOM 0 HA HIS A 6 13.759 -4.716 -16.793 1.00 71.34 H new ATOM 0 HB2 HIS A 6 15.337 -5.145 -18.657 1.00 61.33 H new ATOM 0 HB3 HIS A 6 16.238 -6.250 -17.638 1.00 61.33 H new ATOM 0 HD2 HIS A 6 15.218 -8.808 -17.499 1.00 42.44 H new ATOM 0 HE1 HIS A 6 11.670 -8.087 -19.706 1.00 53.20 H new ATOM 0 HE2 HIS A 6 13.127 -9.876 -18.626 1.00 71.00 H new ATOM 99 N HIS A 7 13.590 -6.050 -14.700 1.00 74.25 N ATOM 100 CA HIS A 7 13.439 -6.876 -13.514 1.00 51.41 C ATOM 101 C HIS A 7 13.229 -8.330 -13.907 1.00 52.23 C ATOM 102 O HIS A 7 12.789 -8.625 -15.022 1.00 44.15 O ATOM 103 CB HIS A 7 12.263 -6.398 -12.657 1.00 63.33 C ATOM 104 CG HIS A 7 12.389 -4.978 -12.188 1.00 55.43 C ATOM 105 ND1 HIS A 7 13.429 -4.535 -11.403 1.00 33.01 N ATOM 106 CD2 HIS A 7 11.598 -3.900 -12.401 1.00 45.02 C ATOM 107 CE1 HIS A 7 13.272 -3.250 -11.153 1.00 45.14 C ATOM 108 NE2 HIS A 7 12.169 -2.839 -11.745 1.00 15.11 N ATOM 0 H HIS A 7 12.763 -5.505 -14.944 1.00 74.25 H new ATOM 0 HA HIS A 7 14.353 -6.790 -12.927 1.00 51.41 H new ATOM 0 HB2 HIS A 7 11.342 -6.500 -13.232 1.00 63.33 H new ATOM 0 HB3 HIS A 7 12.171 -7.050 -11.789 1.00 63.33 H new ATOM 0 HD2 HIS A 7 10.687 -3.879 -12.980 1.00 45.02 H new ATOM 0 HE1 HIS A 7 13.936 -2.637 -10.562 1.00 45.14 H new ATOM 0 HE2 HIS A 7 11.800 -1.888 -11.720 1.00 15.11 H new ATOM 117 N HIS A 8 13.556 -9.235 -12.995 1.00 70.51 N ATOM 118 CA HIS A 8 13.368 -10.657 -13.229 1.00 62.03 C ATOM 119 C HIS A 8 11.874 -10.962 -13.258 1.00 23.14 C ATOM 120 O HIS A 8 11.193 -10.859 -12.237 1.00 73.30 O ATOM 121 CB HIS A 8 14.074 -11.466 -12.135 1.00 11.24 C ATOM 122 CG HIS A 8 14.172 -12.931 -12.427 1.00 2.02 C ATOM 123 ND1 HIS A 8 13.521 -13.894 -11.689 1.00 11.35 N ATOM 124 CD2 HIS A 8 14.877 -13.598 -13.370 1.00 54.10 C ATOM 125 CE1 HIS A 8 13.821 -15.085 -12.166 1.00 5.45 C ATOM 126 NE2 HIS A 8 14.644 -14.938 -13.186 1.00 71.21 N ATOM 0 H HIS A 8 13.954 -9.007 -12.084 1.00 70.51 H new ATOM 0 HA HIS A 8 13.805 -10.938 -14.187 1.00 62.03 H new ATOM 0 HB2 HIS A 8 15.078 -11.066 -11.993 1.00 11.24 H new ATOM 0 HB3 HIS A 8 13.540 -11.329 -11.195 1.00 11.24 H new ATOM 0 HD2 HIS A 8 15.507 -13.157 -14.128 1.00 54.10 H new ATOM 0 HE1 HIS A 8 13.454 -16.026 -11.785 1.00 5.45 H new ATOM 0 HE2 HIS A 8 15.041 -15.694 -13.745 1.00 71.21 H new ATOM 135 N SER A 9 11.369 -11.308 -14.437 1.00 72.21 N ATOM 136 CA SER A 9 9.938 -11.489 -14.643 1.00 62.55 C ATOM 137 C SER A 9 9.374 -12.644 -13.817 1.00 24.24 C ATOM 138 O SER A 9 9.399 -13.803 -14.232 1.00 44.54 O ATOM 139 CB SER A 9 9.652 -11.698 -16.131 1.00 62.12 C ATOM 140 OG SER A 9 10.598 -12.582 -16.712 1.00 53.10 O ATOM 0 H SER A 9 11.935 -11.470 -15.270 1.00 72.21 H new ATOM 0 HA SER A 9 9.436 -10.584 -14.300 1.00 62.55 H new ATOM 0 HB2 SER A 9 8.647 -12.100 -16.259 1.00 62.12 H new ATOM 0 HB3 SER A 9 9.680 -10.739 -16.648 1.00 62.12 H new ATOM 0 HG SER A 9 10.655 -13.400 -16.175 1.00 53.10 H new ATOM 146 N HIS A 10 8.900 -12.319 -12.626 1.00 71.10 N ATOM 147 CA HIS A 10 8.204 -13.278 -11.785 1.00 62.44 C ATOM 148 C HIS A 10 7.257 -12.525 -10.860 1.00 25.13 C ATOM 149 O HIS A 10 6.922 -12.986 -9.774 1.00 65.54 O ATOM 150 CB HIS A 10 9.202 -14.115 -10.979 1.00 64.03 C ATOM 151 CG HIS A 10 8.611 -15.380 -10.425 1.00 53.21 C ATOM 152 ND1 HIS A 10 8.415 -16.511 -11.186 1.00 33.10 N ATOM 153 CD2 HIS A 10 8.166 -15.683 -9.185 1.00 21.42 C ATOM 154 CE1 HIS A 10 7.872 -17.453 -10.439 1.00 73.15 C ATOM 155 NE2 HIS A 10 7.711 -16.978 -9.221 1.00 3.41 N ATOM 0 H HIS A 10 8.986 -11.389 -12.217 1.00 71.10 H new ATOM 0 HA HIS A 10 7.631 -13.963 -12.410 1.00 62.44 H new ATOM 0 HB2 HIS A 10 10.050 -14.368 -11.615 1.00 64.03 H new ATOM 0 HB3 HIS A 10 9.589 -13.513 -10.157 1.00 64.03 H new ATOM 0 HD2 HIS A 10 8.168 -15.028 -8.326 1.00 21.42 H new ATOM 0 HE1 HIS A 10 7.605 -18.446 -10.770 1.00 73.15 H new ATOM 0 HE2 HIS A 10 7.313 -17.489 -8.433 1.00 3.41 H new ATOM 164 N GLY A 11 6.817 -11.360 -11.314 1.00 4.12 N ATOM 165 CA GLY A 11 5.874 -10.571 -10.545 1.00 13.32 C ATOM 166 C GLY A 11 4.445 -10.940 -10.875 1.00 73.15 C ATOM 167 O GLY A 11 3.582 -10.071 -11.010 1.00 31.13 O ATOM 0 H GLY A 11 7.097 -10.946 -12.203 1.00 4.12 H new ATOM 0 HA2 GLY A 11 6.054 -10.723 -9.481 1.00 13.32 H new ATOM 0 HA3 GLY A 11 6.034 -9.512 -10.747 1.00 13.32 H new ATOM 171 N ASP A 12 4.202 -12.236 -11.019 1.00 31.52 N ATOM 172 CA ASP A 12 2.882 -12.742 -11.364 1.00 60.12 C ATOM 173 C ASP A 12 1.958 -12.687 -10.158 1.00 42.23 C ATOM 174 O ASP A 12 0.793 -12.316 -10.277 1.00 12.50 O ATOM 175 CB ASP A 12 2.972 -14.175 -11.900 1.00 42.23 C ATOM 176 CG ASP A 12 3.580 -15.140 -10.902 1.00 4.43 C ATOM 177 OD1 ASP A 12 4.827 -15.235 -10.844 1.00 2.20 O ATOM 178 OD2 ASP A 12 2.820 -15.807 -10.170 1.00 44.43 O ATOM 0 H ASP A 12 4.910 -12.961 -10.901 1.00 31.52 H new ATOM 0 HA ASP A 12 2.469 -12.107 -12.148 1.00 60.12 H new ATOM 0 HB2 ASP A 12 1.974 -14.520 -12.170 1.00 42.23 H new ATOM 0 HB3 ASP A 12 3.568 -14.180 -12.812 1.00 42.23 H new ATOM 183 N ASP A 13 2.487 -13.040 -8.997 1.00 11.05 N ATOM 184 CA ASP A 13 1.712 -13.002 -7.768 1.00 53.13 C ATOM 185 C ASP A 13 2.014 -11.731 -7.000 1.00 34.44 C ATOM 186 O ASP A 13 3.174 -11.337 -6.848 1.00 50.24 O ATOM 187 CB ASP A 13 1.999 -14.225 -6.899 1.00 10.33 C ATOM 188 CG ASP A 13 1.215 -14.212 -5.600 1.00 43.42 C ATOM 189 OD1 ASP A 13 -0.034 -14.176 -5.654 1.00 43.14 O ATOM 190 OD2 ASP A 13 1.841 -14.254 -4.523 1.00 72.13 O ATOM 0 H ASP A 13 3.450 -13.356 -8.880 1.00 11.05 H new ATOM 0 HA ASP A 13 0.655 -13.016 -8.032 1.00 53.13 H new ATOM 0 HB2 ASP A 13 1.755 -15.129 -7.458 1.00 10.33 H new ATOM 0 HB3 ASP A 13 3.065 -14.266 -6.676 1.00 10.33 H new ATOM 195 N SER A 14 0.966 -11.078 -6.547 1.00 10.01 N ATOM 196 CA SER A 14 1.095 -9.830 -5.823 1.00 45.21 C ATOM 197 C SER A 14 -0.080 -9.651 -4.875 1.00 11.24 C ATOM 198 O SER A 14 -1.162 -10.198 -5.105 1.00 30.42 O ATOM 199 CB SER A 14 1.169 -8.662 -6.811 1.00 32.15 C ATOM 200 OG SER A 14 2.295 -8.789 -7.663 1.00 43.44 O ATOM 0 H SER A 14 0.004 -11.395 -6.669 1.00 10.01 H new ATOM 0 HA SER A 14 2.013 -9.851 -5.235 1.00 45.21 H new ATOM 0 HB2 SER A 14 0.258 -8.628 -7.409 1.00 32.15 H new ATOM 0 HB3 SER A 14 1.227 -7.721 -6.264 1.00 32.15 H new ATOM 0 HG SER A 14 2.321 -8.033 -8.286 1.00 43.44 H new ATOM 206 N VAL A 15 0.135 -8.902 -3.804 1.00 53.05 N ATOM 207 CA VAL A 15 -0.932 -8.606 -2.863 1.00 50.34 C ATOM 208 C VAL A 15 -1.695 -7.381 -3.339 1.00 52.54 C ATOM 209 O VAL A 15 -1.149 -6.547 -4.065 1.00 43.20 O ATOM 210 CB VAL A 15 -0.401 -8.376 -1.428 1.00 71.31 C ATOM 211 CG1 VAL A 15 0.285 -9.631 -0.908 1.00 42.11 C ATOM 212 CG2 VAL A 15 0.548 -7.184 -1.380 1.00 23.13 C ATOM 0 H VAL A 15 1.037 -8.489 -3.566 1.00 53.05 H new ATOM 0 HA VAL A 15 -1.594 -9.471 -2.825 1.00 50.34 H new ATOM 0 HB VAL A 15 -1.251 -8.153 -0.783 1.00 71.31 H new ATOM 0 HG11 VAL A 15 0.653 -9.452 0.102 1.00 42.11 H new ATOM 0 HG12 VAL A 15 -0.427 -10.456 -0.894 1.00 42.11 H new ATOM 0 HG13 VAL A 15 1.122 -9.885 -1.559 1.00 42.11 H new ATOM 0 HG21 VAL A 15 0.906 -7.045 -0.360 1.00 23.13 H new ATOM 0 HG22 VAL A 15 1.396 -7.367 -2.040 1.00 23.13 H new ATOM 0 HG23 VAL A 15 0.022 -6.287 -1.705 1.00 23.13 H new ATOM 222 N HIS A 16 -2.952 -7.278 -2.955 1.00 20.30 N ATOM 223 CA HIS A 16 -3.782 -6.173 -3.401 1.00 53.21 C ATOM 224 C HIS A 16 -3.851 -5.087 -2.345 1.00 72.31 C ATOM 225 O HIS A 16 -4.700 -5.116 -1.452 1.00 70.42 O ATOM 226 CB HIS A 16 -5.184 -6.658 -3.768 1.00 43.30 C ATOM 227 CG HIS A 16 -5.211 -7.469 -5.023 1.00 20.54 C ATOM 228 ND1 HIS A 16 -5.392 -8.832 -5.031 1.00 4.34 N ATOM 229 CD2 HIS A 16 -5.071 -7.101 -6.319 1.00 15.31 C ATOM 230 CE1 HIS A 16 -5.361 -9.272 -6.274 1.00 34.03 C ATOM 231 NE2 HIS A 16 -5.165 -8.243 -7.078 1.00 63.43 N ATOM 0 H HIS A 16 -3.421 -7.942 -2.338 1.00 20.30 H new ATOM 0 HA HIS A 16 -3.324 -5.749 -4.295 1.00 53.21 H new ATOM 0 HB2 HIS A 16 -5.582 -7.255 -2.948 1.00 43.30 H new ATOM 0 HB3 HIS A 16 -5.842 -5.797 -3.884 1.00 43.30 H new ATOM 0 HD2 HIS A 16 -4.915 -6.098 -6.687 1.00 15.31 H new ATOM 0 HE1 HIS A 16 -5.476 -10.301 -6.582 1.00 34.03 H new ATOM 0 HE2 HIS A 16 -5.095 -8.288 -8.095 1.00 63.43 H new ATOM 240 N LEU A 17 -2.934 -4.140 -2.439 1.00 23.32 N ATOM 241 CA LEU A 17 -2.893 -3.024 -1.519 1.00 4.42 C ATOM 242 C LEU A 17 -3.959 -2.009 -1.899 1.00 62.23 C ATOM 243 O LEU A 17 -3.892 -1.398 -2.964 1.00 62.02 O ATOM 244 CB LEU A 17 -1.509 -2.368 -1.537 1.00 72.40 C ATOM 245 CG LEU A 17 -0.356 -3.272 -1.102 1.00 25.13 C ATOM 246 CD1 LEU A 17 0.966 -2.534 -1.210 1.00 35.30 C ATOM 247 CD2 LEU A 17 -0.573 -3.765 0.320 1.00 12.01 C ATOM 0 H LEU A 17 -2.203 -4.125 -3.151 1.00 23.32 H new ATOM 0 HA LEU A 17 -3.088 -3.389 -0.511 1.00 4.42 H new ATOM 0 HB2 LEU A 17 -1.308 -2.009 -2.546 1.00 72.40 H new ATOM 0 HB3 LEU A 17 -1.530 -1.494 -0.886 1.00 72.40 H new ATOM 0 HG LEU A 17 -0.326 -4.136 -1.766 1.00 25.13 H new ATOM 0 HD11 LEU A 17 1.777 -3.192 -0.897 1.00 35.30 H new ATOM 0 HD12 LEU A 17 1.127 -2.226 -2.243 1.00 35.30 H new ATOM 0 HD13 LEU A 17 0.945 -1.653 -0.568 1.00 35.30 H new ATOM 0 HD21 LEU A 17 0.257 -4.407 0.613 1.00 12.01 H new ATOM 0 HD22 LEU A 17 -0.628 -2.912 0.996 1.00 12.01 H new ATOM 0 HD23 LEU A 17 -1.504 -4.330 0.371 1.00 12.01 H new ATOM 259 N HIS A 18 -4.950 -1.847 -1.036 1.00 14.24 N ATOM 260 CA HIS A 18 -6.059 -0.948 -1.323 1.00 62.41 C ATOM 261 C HIS A 18 -5.788 0.430 -0.746 1.00 55.54 C ATOM 262 O HIS A 18 -6.051 0.689 0.427 1.00 2.44 O ATOM 263 CB HIS A 18 -7.374 -1.504 -0.770 1.00 21.32 C ATOM 264 CG HIS A 18 -7.775 -2.816 -1.377 1.00 14.13 C ATOM 265 ND1 HIS A 18 -8.421 -2.917 -2.589 1.00 41.40 N ATOM 266 CD2 HIS A 18 -7.618 -4.084 -0.928 1.00 64.14 C ATOM 267 CE1 HIS A 18 -8.644 -4.190 -2.862 1.00 42.41 C ATOM 268 NE2 HIS A 18 -8.164 -4.921 -1.870 1.00 54.21 N ATOM 0 H HIS A 18 -5.010 -2.323 -0.136 1.00 14.24 H new ATOM 0 HA HIS A 18 -6.153 -0.864 -2.406 1.00 62.41 H new ATOM 0 HB2 HIS A 18 -7.282 -1.626 0.309 1.00 21.32 H new ATOM 0 HB3 HIS A 18 -8.167 -0.776 -0.942 1.00 21.32 H new ATOM 0 HD2 HIS A 18 -7.150 -4.382 -0.001 1.00 64.14 H new ATOM 0 HE1 HIS A 18 -9.135 -4.570 -3.746 1.00 42.41 H new ATOM 0 HE2 HIS A 18 -8.194 -5.939 -1.814 1.00 54.21 H new ATOM 277 N ILE A 19 -5.241 1.303 -1.572 1.00 52.43 N ATOM 278 CA ILE A 19 -4.905 2.654 -1.151 1.00 70.10 C ATOM 279 C ILE A 19 -6.173 3.463 -0.908 1.00 55.22 C ATOM 280 O ILE A 19 -6.969 3.670 -1.822 1.00 32.11 O ATOM 281 CB ILE A 19 -4.035 3.371 -2.206 1.00 15.22 C ATOM 282 CG1 ILE A 19 -2.792 2.531 -2.528 1.00 43.32 C ATOM 283 CG2 ILE A 19 -3.634 4.752 -1.708 1.00 53.13 C ATOM 284 CD1 ILE A 19 -1.922 3.120 -3.620 1.00 71.11 C ATOM 0 H ILE A 19 -5.018 1.100 -2.546 1.00 52.43 H new ATOM 0 HA ILE A 19 -4.336 2.578 -0.225 1.00 70.10 H new ATOM 0 HB ILE A 19 -4.617 3.490 -3.120 1.00 15.22 H new ATOM 0 HG12 ILE A 19 -2.196 2.419 -1.622 1.00 43.32 H new ATOM 0 HG13 ILE A 19 -3.108 1.532 -2.827 1.00 43.32 H new ATOM 0 HG21 ILE A 19 -3.021 5.247 -2.461 1.00 53.13 H new ATOM 0 HG22 ILE A 19 -4.529 5.346 -1.522 1.00 53.13 H new ATOM 0 HG23 ILE A 19 -3.064 4.654 -0.784 1.00 53.13 H new ATOM 0 HD11 ILE A 19 -1.064 2.471 -3.791 1.00 71.11 H new ATOM 0 HD12 ILE A 19 -2.501 3.206 -4.540 1.00 71.11 H new ATOM 0 HD13 ILE A 19 -1.575 4.107 -3.316 1.00 71.11 H new ATOM 296 N THR A 20 -6.358 3.904 0.326 1.00 34.30 N ATOM 297 CA THR A 20 -7.540 4.659 0.705 1.00 61.13 C ATOM 298 C THR A 20 -7.134 6.015 1.276 1.00 45.40 C ATOM 299 O THR A 20 -6.330 6.086 2.201 1.00 54.43 O ATOM 300 CB THR A 20 -8.362 3.883 1.752 1.00 1.30 C ATOM 301 OG1 THR A 20 -8.515 2.518 1.336 1.00 21.30 O ATOM 302 CG2 THR A 20 -9.734 4.514 1.943 1.00 74.01 C ATOM 0 H THR A 20 -5.698 3.750 1.088 1.00 34.30 H new ATOM 0 HA THR A 20 -8.152 4.810 -0.184 1.00 61.13 H new ATOM 0 HB THR A 20 -7.828 3.920 2.702 1.00 1.30 H new ATOM 0 HG1 THR A 20 -9.423 2.213 1.541 1.00 21.30 H new ATOM 0 HG21 THR A 20 -10.295 3.948 2.687 1.00 74.01 H new ATOM 0 HG22 THR A 20 -9.617 5.543 2.283 1.00 74.01 H new ATOM 0 HG23 THR A 20 -10.274 4.504 0.996 1.00 74.01 H new ATOM 310 N HIS A 21 -7.677 7.086 0.719 1.00 71.41 N ATOM 311 CA HIS A 21 -7.330 8.433 1.163 1.00 13.30 C ATOM 312 C HIS A 21 -8.170 8.841 2.366 1.00 41.24 C ATOM 313 O HIS A 21 -9.177 8.205 2.672 1.00 41.24 O ATOM 314 CB HIS A 21 -7.532 9.437 0.029 1.00 44.12 C ATOM 315 CG HIS A 21 -6.272 10.116 -0.407 1.00 25.52 C ATOM 316 ND1 HIS A 21 -4.981 9.869 -0.096 1.00 61.44 N flip ATOM 317 CD2 HIS A 21 -6.256 11.187 -1.270 1.00 14.11 C flip ATOM 318 CE1 HIS A 21 -4.215 10.786 -0.766 1.00 14.02 C flip ATOM 319 NE2 HIS A 21 -5.011 11.568 -1.469 1.00 55.43 N flip ATOM 0 H HIS A 21 -8.358 7.052 -0.039 1.00 71.41 H new ATOM 0 HA HIS A 21 -6.280 8.430 1.455 1.00 13.30 H new ATOM 0 HB2 HIS A 21 -7.971 8.922 -0.826 1.00 44.12 H new ATOM 0 HB3 HIS A 21 -8.249 10.193 0.349 1.00 44.12 H new ATOM 0 HD2 HIS A 21 -7.128 11.644 -1.715 1.00 14.11 H new ATOM 0 HE1 HIS A 21 -3.138 10.857 -0.725 1.00 14.02 H new ATOM 0 HE2 HIS A 21 -4.712 12.339 -2.067 1.00 55.43 H new ATOM 328 N ALA A 22 -7.748 9.900 3.049 1.00 64.42 N ATOM 329 CA ALA A 22 -8.485 10.406 4.199 1.00 24.32 C ATOM 330 C ALA A 22 -9.344 11.593 3.796 1.00 64.42 C ATOM 331 O ALA A 22 -10.468 11.750 4.273 1.00 41.02 O ATOM 332 CB ALA A 22 -7.532 10.796 5.319 1.00 22.22 C ATOM 0 H ALA A 22 -6.901 10.423 2.826 1.00 64.42 H new ATOM 0 HA ALA A 22 -9.137 9.613 4.565 1.00 24.32 H new ATOM 0 HB1 ALA A 22 -8.103 11.171 6.168 1.00 22.22 H new ATOM 0 HB2 ALA A 22 -6.955 9.924 5.626 1.00 22.22 H new ATOM 0 HB3 ALA A 22 -6.854 11.573 4.966 1.00 22.22 H new ATOM 338 N ASN A 23 -8.803 12.434 2.924 1.00 72.05 N ATOM 339 CA ASN A 23 -9.550 13.572 2.402 1.00 64.43 C ATOM 340 C ASN A 23 -10.562 13.082 1.376 1.00 15.31 C ATOM 341 O ASN A 23 -11.773 13.189 1.571 1.00 51.43 O ATOM 342 CB ASN A 23 -8.591 14.596 1.774 1.00 71.25 C ATOM 343 CG ASN A 23 -9.268 15.900 1.371 1.00 21.10 C ATOM 344 OD1 ASN A 23 -10.428 15.925 0.962 1.00 33.22 O ATOM 345 ND2 ASN A 23 -8.542 17.004 1.488 1.00 4.45 N ATOM 0 H ASN A 23 -7.852 12.350 2.564 1.00 72.05 H new ATOM 0 HA ASN A 23 -10.081 14.063 3.218 1.00 64.43 H new ATOM 0 HB2 ASN A 23 -7.792 14.815 2.483 1.00 71.25 H new ATOM 0 HB3 ASN A 23 -8.124 14.152 0.895 1.00 71.25 H new ATOM 0 HD21 ASN A 23 -8.943 17.907 1.236 1.00 4.45 H new ATOM 0 HD22 ASN A 23 -7.583 16.950 1.830 1.00 4.45 H new ATOM 352 N LEU A 24 -10.059 12.527 0.287 1.00 51.03 N ATOM 353 CA LEU A 24 -10.912 11.940 -0.731 1.00 3.42 C ATOM 354 C LEU A 24 -11.194 10.486 -0.390 1.00 33.42 C ATOM 355 O LEU A 24 -10.430 9.596 -0.752 1.00 40.22 O ATOM 356 CB LEU A 24 -10.250 12.034 -2.107 1.00 55.41 C ATOM 357 CG LEU A 24 -9.962 13.451 -2.594 1.00 2.02 C ATOM 358 CD1 LEU A 24 -9.196 13.412 -3.905 1.00 65.10 C ATOM 359 CD2 LEU A 24 -11.258 14.233 -2.752 1.00 53.13 C ATOM 0 H LEU A 24 -9.061 12.471 0.085 1.00 51.03 H new ATOM 0 HA LEU A 24 -11.851 12.492 -0.760 1.00 3.42 H new ATOM 0 HB2 LEU A 24 -9.312 11.479 -2.080 1.00 55.41 H new ATOM 0 HB3 LEU A 24 -10.892 11.540 -2.836 1.00 55.41 H new ATOM 0 HG LEU A 24 -9.346 13.957 -1.850 1.00 2.02 H new ATOM 0 HD11 LEU A 24 -8.997 14.430 -4.241 1.00 65.10 H new ATOM 0 HD12 LEU A 24 -8.252 12.887 -3.759 1.00 65.10 H new ATOM 0 HD13 LEU A 24 -9.788 12.891 -4.657 1.00 65.10 H new ATOM 0 HD21 LEU A 24 -11.034 15.241 -3.100 1.00 53.13 H new ATOM 0 HD22 LEU A 24 -11.899 13.732 -3.478 1.00 53.13 H new ATOM 0 HD23 LEU A 24 -11.770 14.286 -1.791 1.00 53.13 H new ATOM 371 N LYS A 25 -12.293 10.252 0.310 1.00 23.24 N ATOM 372 CA LYS A 25 -12.640 8.912 0.763 1.00 10.44 C ATOM 373 C LYS A 25 -12.992 8.022 -0.427 1.00 15.33 C ATOM 374 O LYS A 25 -12.810 6.804 -0.386 1.00 21.34 O ATOM 375 CB LYS A 25 -13.814 8.975 1.738 1.00 52.23 C ATOM 376 CG LYS A 25 -14.109 7.653 2.424 1.00 43.00 C ATOM 377 CD LYS A 25 -15.395 7.727 3.225 1.00 54.24 C ATOM 378 CE LYS A 25 -16.599 7.890 2.314 1.00 55.15 C ATOM 379 NZ LYS A 25 -17.849 8.110 3.078 1.00 12.23 N ATOM 0 H LYS A 25 -12.962 10.974 0.578 1.00 23.24 H new ATOM 0 HA LYS A 25 -11.778 8.483 1.275 1.00 10.44 H new ATOM 0 HB2 LYS A 25 -13.605 9.729 2.497 1.00 52.23 H new ATOM 0 HB3 LYS A 25 -14.704 9.302 1.201 1.00 52.23 H new ATOM 0 HG2 LYS A 25 -14.187 6.862 1.678 1.00 43.00 H new ATOM 0 HG3 LYS A 25 -13.282 7.389 3.083 1.00 43.00 H new ATOM 0 HD2 LYS A 25 -15.507 6.822 3.823 1.00 54.24 H new ATOM 0 HD3 LYS A 25 -15.346 8.565 3.921 1.00 54.24 H new ATOM 0 HE2 LYS A 25 -16.433 8.731 1.641 1.00 55.15 H new ATOM 0 HE3 LYS A 25 -16.706 7.001 1.692 1.00 55.15 H new ATOM 0 HZ1 LYS A 25 -18.645 8.216 2.418 1.00 12.23 H new ATOM 0 HZ2 LYS A 25 -18.022 7.296 3.702 1.00 12.23 H new ATOM 0 HZ3 LYS A 25 -17.758 8.973 3.652 1.00 12.23 H new ATOM 393 N SER A 26 -13.485 8.644 -1.492 1.00 34.33 N ATOM 394 CA SER A 26 -13.826 7.926 -2.712 1.00 43.42 C ATOM 395 C SER A 26 -12.569 7.420 -3.423 1.00 75.02 C ATOM 396 O SER A 26 -12.645 6.550 -4.294 1.00 32.15 O ATOM 397 CB SER A 26 -14.620 8.839 -3.647 1.00 62.23 C ATOM 398 OG SER A 26 -15.716 9.438 -2.970 1.00 51.45 O ATOM 0 H SER A 26 -13.658 9.648 -1.534 1.00 34.33 H new ATOM 0 HA SER A 26 -14.435 7.064 -2.441 1.00 43.42 H new ATOM 0 HB2 SER A 26 -13.966 9.615 -4.044 1.00 62.23 H new ATOM 0 HB3 SER A 26 -14.985 8.264 -4.498 1.00 62.23 H new ATOM 0 HG SER A 26 -16.206 10.018 -3.590 1.00 51.45 H new ATOM 404 N PHE A 27 -11.414 7.966 -3.048 1.00 13.33 N ATOM 405 CA PHE A 27 -10.152 7.552 -3.636 1.00 64.43 C ATOM 406 C PHE A 27 -9.736 6.202 -3.072 1.00 30.15 C ATOM 407 O PHE A 27 -9.330 6.090 -1.912 1.00 75.40 O ATOM 408 CB PHE A 27 -9.057 8.597 -3.386 1.00 20.34 C ATOM 409 CG PHE A 27 -7.717 8.214 -3.949 1.00 43.12 C ATOM 410 CD1 PHE A 27 -7.459 8.341 -5.303 1.00 52.30 C ATOM 411 CD2 PHE A 27 -6.716 7.727 -3.123 1.00 0.51 C ATOM 412 CE1 PHE A 27 -6.232 7.986 -5.825 1.00 52.25 C ATOM 413 CE2 PHE A 27 -5.486 7.372 -3.639 1.00 55.31 C ATOM 414 CZ PHE A 27 -5.242 7.501 -4.993 1.00 72.41 C ATOM 0 H PHE A 27 -11.331 8.695 -2.340 1.00 13.33 H new ATOM 0 HA PHE A 27 -10.288 7.462 -4.714 1.00 64.43 H new ATOM 0 HB2 PHE A 27 -9.367 9.547 -3.823 1.00 20.34 H new ATOM 0 HB3 PHE A 27 -8.958 8.757 -2.312 1.00 20.34 H new ATOM 0 HD1 PHE A 27 -8.227 8.723 -5.959 1.00 52.30 H new ATOM 0 HD2 PHE A 27 -6.901 7.624 -2.064 1.00 0.51 H new ATOM 0 HE1 PHE A 27 -6.046 8.087 -6.884 1.00 52.25 H new ATOM 0 HE2 PHE A 27 -4.715 6.994 -2.985 1.00 55.31 H new ATOM 0 HZ PHE A 27 -4.281 7.224 -5.399 1.00 72.41 H new ATOM 424 N SER A 28 -9.871 5.180 -3.893 1.00 0.14 N ATOM 425 CA SER A 28 -9.486 3.833 -3.522 1.00 72.10 C ATOM 426 C SER A 28 -8.778 3.170 -4.690 1.00 21.32 C ATOM 427 O SER A 28 -9.368 2.964 -5.751 1.00 50.22 O ATOM 428 CB SER A 28 -10.715 3.025 -3.105 1.00 40.43 C ATOM 429 OG SER A 28 -11.404 3.659 -2.036 1.00 14.23 O ATOM 0 H SER A 28 -10.251 5.260 -4.836 1.00 0.14 H new ATOM 0 HA SER A 28 -8.805 3.873 -2.672 1.00 72.10 H new ATOM 0 HB2 SER A 28 -11.385 2.910 -3.957 1.00 40.43 H new ATOM 0 HB3 SER A 28 -10.410 2.023 -2.802 1.00 40.43 H new ATOM 0 HG SER A 28 -12.187 3.124 -1.788 1.00 14.23 H new ATOM 435 N ALA A 29 -7.504 2.876 -4.508 1.00 72.05 N ATOM 436 CA ALA A 29 -6.701 2.299 -5.570 1.00 12.22 C ATOM 437 C ALA A 29 -6.273 0.880 -5.230 1.00 63.52 C ATOM 438 O ALA A 29 -5.548 0.655 -4.262 1.00 33.45 O ATOM 439 CB ALA A 29 -5.486 3.172 -5.834 1.00 63.24 C ATOM 0 H ALA A 29 -7.002 3.028 -3.633 1.00 72.05 H new ATOM 0 HA ALA A 29 -7.310 2.254 -6.473 1.00 12.22 H new ATOM 0 HB1 ALA A 29 -4.888 2.732 -6.632 1.00 63.24 H new ATOM 0 HB2 ALA A 29 -5.812 4.169 -6.132 1.00 63.24 H new ATOM 0 HB3 ALA A 29 -4.885 3.243 -4.928 1.00 63.24 H new ATOM 445 N ASP A 30 -6.743 -0.072 -6.021 1.00 71.40 N ATOM 446 CA ASP A 30 -6.321 -1.462 -5.882 1.00 14.14 C ATOM 447 C ASP A 30 -4.984 -1.653 -6.579 1.00 3.22 C ATOM 448 O ASP A 30 -4.915 -1.696 -7.810 1.00 23.54 O ATOM 449 CB ASP A 30 -7.376 -2.408 -6.472 1.00 42.34 C ATOM 450 CG ASP A 30 -6.963 -3.867 -6.403 1.00 4.24 C ATOM 451 OD1 ASP A 30 -6.632 -4.341 -5.300 1.00 42.10 O ATOM 452 OD2 ASP A 30 -6.968 -4.543 -7.456 1.00 72.23 O ATOM 0 H ASP A 30 -7.418 0.090 -6.768 1.00 71.40 H new ATOM 0 HA ASP A 30 -6.212 -1.699 -4.824 1.00 14.14 H new ATOM 0 HB2 ASP A 30 -8.316 -2.276 -5.936 1.00 42.34 H new ATOM 0 HB3 ASP A 30 -7.560 -2.136 -7.511 1.00 42.34 H new ATOM 457 N ALA A 31 -3.919 -1.716 -5.796 1.00 23.22 N ATOM 458 CA ALA A 31 -2.576 -1.807 -6.342 1.00 51.55 C ATOM 459 C ALA A 31 -1.940 -3.154 -6.029 1.00 51.15 C ATOM 460 O ALA A 31 -1.753 -3.511 -4.866 1.00 43.33 O ATOM 461 CB ALA A 31 -1.714 -0.675 -5.801 1.00 33.41 C ATOM 0 H ALA A 31 -3.960 -1.706 -4.777 1.00 23.22 H new ATOM 0 HA ALA A 31 -2.645 -1.716 -7.426 1.00 51.55 H new ATOM 0 HB1 ALA A 31 -0.709 -0.752 -6.216 1.00 33.41 H new ATOM 0 HB2 ALA A 31 -2.151 0.282 -6.084 1.00 33.41 H new ATOM 0 HB3 ALA A 31 -1.664 -0.743 -4.714 1.00 33.41 H new ATOM 467 N ARG A 32 -1.609 -3.898 -7.073 1.00 31.34 N ATOM 468 CA ARG A 32 -0.966 -5.192 -6.907 1.00 41.32 C ATOM 469 C ARG A 32 0.554 -5.049 -6.877 1.00 44.05 C ATOM 470 O ARG A 32 1.174 -4.635 -7.859 1.00 31.21 O ATOM 471 CB ARG A 32 -1.386 -6.162 -8.020 1.00 15.33 C ATOM 472 CG ARG A 32 -1.241 -5.598 -9.426 1.00 21.53 C ATOM 473 CD ARG A 32 -1.411 -6.676 -10.482 1.00 11.11 C ATOM 474 NE ARG A 32 -0.256 -7.568 -10.539 1.00 34.51 N ATOM 475 CZ ARG A 32 -0.325 -8.892 -10.436 1.00 41.14 C ATOM 476 NH1 ARG A 32 -1.495 -9.492 -10.253 1.00 2.04 N ATOM 477 NH2 ARG A 32 0.777 -9.617 -10.507 1.00 23.00 N ATOM 0 H ARG A 32 -1.775 -3.628 -8.043 1.00 31.34 H new ATOM 0 HA ARG A 32 -1.292 -5.602 -5.951 1.00 41.32 H new ATOM 0 HB2 ARG A 32 -0.787 -7.069 -7.941 1.00 15.33 H new ATOM 0 HB3 ARG A 32 -2.425 -6.451 -7.862 1.00 15.33 H new ATOM 0 HG2 ARG A 32 -1.983 -4.815 -9.582 1.00 21.53 H new ATOM 0 HG3 ARG A 32 -0.260 -5.135 -9.533 1.00 21.53 H new ATOM 0 HD2 ARG A 32 -2.308 -7.257 -10.267 1.00 11.11 H new ATOM 0 HD3 ARG A 32 -1.559 -6.210 -11.456 1.00 11.11 H new ATOM 0 HE ARG A 32 0.665 -7.148 -10.666 1.00 34.51 H new ATOM 0 HH11 ARG A 32 -2.349 -8.937 -10.191 1.00 2.04 H new ATOM 0 HH12 ARG A 32 -1.540 -10.508 -10.175 1.00 2.04 H new ATOM 0 HH21 ARG A 32 1.680 -9.161 -10.641 1.00 23.00 H new ATOM 0 HH22 ARG A 32 0.725 -10.633 -10.428 1.00 23.00 H new ATOM 491 N PHE A 33 1.143 -5.379 -5.739 1.00 40.25 N ATOM 492 CA PHE A 33 2.594 -5.385 -5.598 1.00 23.34 C ATOM 493 C PHE A 33 3.041 -6.662 -4.903 1.00 22.12 C ATOM 494 O PHE A 33 2.360 -7.157 -4.004 1.00 11.35 O ATOM 495 CB PHE A 33 3.080 -4.164 -4.807 1.00 51.14 C ATOM 496 CG PHE A 33 2.925 -2.862 -5.543 1.00 35.42 C ATOM 497 CD1 PHE A 33 3.748 -2.558 -6.616 1.00 11.43 C ATOM 498 CD2 PHE A 33 1.963 -1.940 -5.159 1.00 13.33 C ATOM 499 CE1 PHE A 33 3.614 -1.361 -7.294 1.00 65.13 C ATOM 500 CE2 PHE A 33 1.826 -0.742 -5.832 1.00 52.14 C ATOM 501 CZ PHE A 33 2.651 -0.451 -6.902 1.00 32.11 C ATOM 0 H PHE A 33 0.638 -5.648 -4.895 1.00 40.25 H new ATOM 0 HA PHE A 33 3.032 -5.340 -6.595 1.00 23.34 H new ATOM 0 HB2 PHE A 33 2.528 -4.108 -3.869 1.00 51.14 H new ATOM 0 HB3 PHE A 33 4.130 -4.303 -4.551 1.00 51.14 H new ATOM 0 HD1 PHE A 33 4.503 -3.265 -6.926 1.00 11.43 H new ATOM 0 HD2 PHE A 33 1.314 -2.161 -4.325 1.00 13.33 H new ATOM 0 HE1 PHE A 33 4.261 -1.137 -8.129 1.00 65.13 H new ATOM 0 HE2 PHE A 33 1.074 -0.032 -5.522 1.00 52.14 H new ATOM 0 HZ PHE A 33 2.543 0.485 -7.430 1.00 32.11 H new ATOM 511 N SER A 34 4.159 -7.217 -5.346 1.00 64.14 N ATOM 512 CA SER A 34 4.696 -8.425 -4.742 1.00 24.40 C ATOM 513 C SER A 34 5.090 -8.172 -3.288 1.00 40.11 C ATOM 514 O SER A 34 5.576 -7.093 -2.947 1.00 0.23 O ATOM 515 CB SER A 34 5.902 -8.926 -5.544 1.00 42.42 C ATOM 516 OG SER A 34 5.525 -9.256 -6.870 1.00 71.54 O ATOM 0 H SER A 34 4.711 -6.850 -6.121 1.00 64.14 H new ATOM 0 HA SER A 34 3.922 -9.192 -4.757 1.00 24.40 H new ATOM 0 HB2 SER A 34 6.676 -8.159 -5.562 1.00 42.42 H new ATOM 0 HB3 SER A 34 6.331 -9.801 -5.055 1.00 42.42 H new ATOM 0 HG SER A 34 4.792 -9.906 -6.849 1.00 71.54 H new ATOM 522 N PRO A 35 4.890 -9.171 -2.411 1.00 42.34 N ATOM 523 CA PRO A 35 5.160 -9.041 -0.970 1.00 74.31 C ATOM 524 C PRO A 35 6.641 -8.817 -0.655 1.00 31.11 C ATOM 525 O PRO A 35 7.016 -8.582 0.491 1.00 14.24 O ATOM 526 CB PRO A 35 4.680 -10.376 -0.396 1.00 33.11 C ATOM 527 CG PRO A 35 4.710 -11.326 -1.540 1.00 0.23 C ATOM 528 CD PRO A 35 4.377 -10.510 -2.755 1.00 31.55 C ATOM 0 HA PRO A 35 4.658 -8.172 -0.545 1.00 74.31 H new ATOM 0 HB2 PRO A 35 5.329 -10.713 0.413 1.00 33.11 H new ATOM 0 HB3 PRO A 35 3.675 -10.289 0.017 1.00 33.11 H new ATOM 0 HG2 PRO A 35 5.691 -11.791 -1.637 1.00 0.23 H new ATOM 0 HG3 PRO A 35 3.989 -12.131 -1.399 1.00 0.23 H new ATOM 0 HD2 PRO A 35 4.855 -10.907 -3.650 1.00 31.55 H new ATOM 0 HD3 PRO A 35 3.304 -10.493 -2.947 1.00 31.55 H new ATOM 536 N GLN A 36 7.474 -8.889 -1.681 1.00 33.45 N ATOM 537 CA GLN A 36 8.901 -8.633 -1.534 1.00 40.23 C ATOM 538 C GLN A 36 9.167 -7.131 -1.448 1.00 11.42 C ATOM 539 O GLN A 36 10.254 -6.697 -1.067 1.00 0.13 O ATOM 540 CB GLN A 36 9.659 -9.244 -2.711 1.00 72.25 C ATOM 541 CG GLN A 36 9.520 -10.757 -2.789 1.00 31.33 C ATOM 542 CD GLN A 36 10.044 -11.335 -4.085 1.00 62.03 C ATOM 543 OE1 GLN A 36 10.962 -10.795 -4.702 1.00 30.15 O ATOM 544 NE2 GLN A 36 9.460 -12.445 -4.504 1.00 61.54 N ATOM 0 H GLN A 36 7.186 -9.124 -2.631 1.00 33.45 H new ATOM 0 HA GLN A 36 9.251 -9.095 -0.611 1.00 40.23 H new ATOM 0 HB2 GLN A 36 9.294 -8.803 -3.639 1.00 72.25 H new ATOM 0 HB3 GLN A 36 10.715 -8.986 -2.629 1.00 72.25 H new ATOM 0 HG2 GLN A 36 10.056 -11.209 -1.954 1.00 31.33 H new ATOM 0 HG3 GLN A 36 8.470 -11.026 -2.677 1.00 31.33 H new ATOM 0 HE21 GLN A 36 8.702 -12.859 -3.961 1.00 61.54 H new ATOM 0 HE22 GLN A 36 9.767 -12.887 -5.370 1.00 61.54 H new ATOM 553 N MET A 37 8.156 -6.344 -1.792 1.00 55.41 N ATOM 554 CA MET A 37 8.264 -4.895 -1.761 1.00 61.52 C ATOM 555 C MET A 37 7.890 -4.378 -0.372 1.00 24.31 C ATOM 556 O MET A 37 7.044 -4.960 0.312 1.00 33.45 O ATOM 557 CB MET A 37 7.351 -4.286 -2.831 1.00 54.43 C ATOM 558 CG MET A 37 7.533 -2.791 -3.034 1.00 72.11 C ATOM 559 SD MET A 37 6.564 -2.165 -4.420 1.00 71.42 S ATOM 560 CE MET A 37 7.008 -0.429 -4.403 1.00 71.12 C ATOM 0 H MET A 37 7.246 -6.690 -2.098 1.00 55.41 H new ATOM 0 HA MET A 37 9.292 -4.601 -1.974 1.00 61.52 H new ATOM 0 HB2 MET A 37 7.533 -4.794 -3.778 1.00 54.43 H new ATOM 0 HB3 MET A 37 6.313 -4.480 -2.559 1.00 54.43 H new ATOM 0 HG2 MET A 37 7.243 -2.265 -2.124 1.00 72.11 H new ATOM 0 HG3 MET A 37 8.588 -2.576 -3.204 1.00 72.11 H new ATOM 0 HE1 MET A 37 6.324 0.128 -5.043 1.00 71.12 H new ATOM 0 HE2 MET A 37 6.944 -0.047 -3.384 1.00 71.12 H new ATOM 0 HE3 MET A 37 8.027 -0.310 -4.771 1.00 71.12 H new ATOM 570 N SER A 38 8.541 -3.303 0.049 1.00 14.12 N ATOM 571 CA SER A 38 8.293 -2.711 1.355 1.00 30.15 C ATOM 572 C SER A 38 7.420 -1.467 1.229 1.00 32.20 C ATOM 573 O SER A 38 7.281 -0.899 0.142 1.00 33.20 O ATOM 574 CB SER A 38 9.629 -2.349 2.005 1.00 52.14 C ATOM 575 OG SER A 38 10.411 -1.546 1.133 1.00 32.32 O ATOM 0 H SER A 38 9.251 -2.820 -0.501 1.00 14.12 H new ATOM 0 HA SER A 38 7.765 -3.434 1.977 1.00 30.15 H new ATOM 0 HB2 SER A 38 9.452 -1.815 2.938 1.00 52.14 H new ATOM 0 HB3 SER A 38 10.175 -3.258 2.257 1.00 52.14 H new ATOM 0 HG SER A 38 11.261 -1.323 1.567 1.00 32.32 H new ATOM 581 N VAL A 39 6.840 -1.042 2.344 1.00 33.02 N ATOM 582 CA VAL A 39 6.038 0.174 2.373 1.00 14.41 C ATOM 583 C VAL A 39 6.930 1.383 2.099 1.00 2.55 C ATOM 584 O VAL A 39 6.516 2.349 1.458 1.00 32.31 O ATOM 585 CB VAL A 39 5.328 0.351 3.736 1.00 51.33 C ATOM 586 CG1 VAL A 39 4.409 1.560 3.719 1.00 61.33 C ATOM 587 CG2 VAL A 39 4.554 -0.905 4.106 1.00 20.23 C ATOM 0 H VAL A 39 6.910 -1.522 3.241 1.00 33.02 H new ATOM 0 HA VAL A 39 5.273 0.093 1.601 1.00 14.41 H new ATOM 0 HB VAL A 39 6.093 0.519 4.494 1.00 51.33 H new ATOM 0 HG11 VAL A 39 3.923 1.661 4.689 1.00 61.33 H new ATOM 0 HG12 VAL A 39 4.992 2.457 3.510 1.00 61.33 H new ATOM 0 HG13 VAL A 39 3.652 1.431 2.945 1.00 61.33 H new ATOM 0 HG21 VAL A 39 4.062 -0.759 5.068 1.00 20.23 H new ATOM 0 HG22 VAL A 39 3.804 -1.108 3.342 1.00 20.23 H new ATOM 0 HG23 VAL A 39 5.241 -1.749 4.174 1.00 20.23 H new ATOM 597 N GLU A 40 8.164 1.291 2.580 1.00 23.32 N ATOM 598 CA GLU A 40 9.185 2.311 2.358 1.00 54.04 C ATOM 599 C GLU A 40 9.319 2.644 0.872 1.00 52.54 C ATOM 600 O GLU A 40 9.376 3.812 0.489 1.00 74.00 O ATOM 601 CB GLU A 40 10.526 1.814 2.907 1.00 15.33 C ATOM 602 CG GLU A 40 11.683 2.778 2.705 1.00 65.01 C ATOM 603 CD GLU A 40 13.002 2.197 3.167 1.00 32.14 C ATOM 604 OE1 GLU A 40 13.341 2.349 4.358 1.00 22.43 O ATOM 605 OE2 GLU A 40 13.704 1.567 2.345 1.00 32.30 O ATOM 0 H GLU A 40 8.488 0.502 3.139 1.00 23.32 H new ATOM 0 HA GLU A 40 8.887 3.221 2.879 1.00 54.04 H new ATOM 0 HB2 GLU A 40 10.417 1.615 3.973 1.00 15.33 H new ATOM 0 HB3 GLU A 40 10.771 0.866 2.429 1.00 15.33 H new ATOM 0 HG2 GLU A 40 11.754 3.041 1.650 1.00 65.01 H new ATOM 0 HG3 GLU A 40 11.484 3.700 3.250 1.00 65.01 H new ATOM 612 N ALA A 41 9.348 1.609 0.039 1.00 0.20 N ATOM 613 CA ALA A 41 9.515 1.786 -1.398 1.00 41.13 C ATOM 614 C ALA A 41 8.309 2.494 -2.015 1.00 64.13 C ATOM 615 O ALA A 41 8.447 3.259 -2.970 1.00 50.33 O ATOM 616 CB ALA A 41 9.748 0.440 -2.069 1.00 54.53 C ATOM 0 H ALA A 41 9.258 0.637 0.336 1.00 0.20 H new ATOM 0 HA ALA A 41 10.388 2.417 -1.563 1.00 41.13 H new ATOM 0 HB1 ALA A 41 9.871 0.585 -3.142 1.00 54.53 H new ATOM 0 HB2 ALA A 41 10.647 -0.020 -1.659 1.00 54.53 H new ATOM 0 HB3 ALA A 41 8.892 -0.210 -1.887 1.00 54.53 H new ATOM 622 N VAL A 42 7.131 2.242 -1.460 1.00 20.31 N ATOM 623 CA VAL A 42 5.909 2.881 -1.933 1.00 21.42 C ATOM 624 C VAL A 42 5.876 4.340 -1.487 1.00 34.21 C ATOM 625 O VAL A 42 5.502 5.234 -2.252 1.00 31.30 O ATOM 626 CB VAL A 42 4.652 2.156 -1.402 1.00 1.02 C ATOM 627 CG1 VAL A 42 3.384 2.787 -1.961 1.00 44.44 C ATOM 628 CG2 VAL A 42 4.702 0.670 -1.736 1.00 72.13 C ATOM 0 H VAL A 42 6.995 1.599 -0.680 1.00 20.31 H new ATOM 0 HA VAL A 42 5.905 2.826 -3.022 1.00 21.42 H new ATOM 0 HB VAL A 42 4.636 2.263 -0.317 1.00 1.02 H new ATOM 0 HG11 VAL A 42 2.513 2.259 -1.573 1.00 44.44 H new ATOM 0 HG12 VAL A 42 3.337 3.834 -1.662 1.00 44.44 H new ATOM 0 HG13 VAL A 42 3.393 2.720 -3.049 1.00 44.44 H new ATOM 0 HG21 VAL A 42 3.807 0.181 -1.352 1.00 72.13 H new ATOM 0 HG22 VAL A 42 4.751 0.542 -2.817 1.00 72.13 H new ATOM 0 HG23 VAL A 42 5.584 0.224 -1.278 1.00 72.13 H new ATOM 638 N LYS A 43 6.298 4.568 -0.248 1.00 43.32 N ATOM 639 CA LYS A 43 6.322 5.904 0.337 1.00 10.23 C ATOM 640 C LYS A 43 7.236 6.840 -0.443 1.00 53.32 C ATOM 641 O LYS A 43 6.988 8.044 -0.498 1.00 30.51 O ATOM 642 CB LYS A 43 6.765 5.827 1.800 1.00 55.41 C ATOM 643 CG LYS A 43 5.713 5.219 2.714 1.00 44.50 C ATOM 644 CD LYS A 43 6.278 4.876 4.085 1.00 15.20 C ATOM 645 CE LYS A 43 6.922 6.078 4.755 1.00 2.10 C ATOM 646 NZ LYS A 43 7.373 5.765 6.135 1.00 40.24 N ATOM 0 H LYS A 43 6.632 3.835 0.377 1.00 43.32 H new ATOM 0 HA LYS A 43 5.312 6.311 0.288 1.00 10.23 H new ATOM 0 HB2 LYS A 43 7.679 5.236 1.865 1.00 55.41 H new ATOM 0 HB3 LYS A 43 7.008 6.829 2.153 1.00 55.41 H new ATOM 0 HG2 LYS A 43 4.884 5.918 2.828 1.00 44.50 H new ATOM 0 HG3 LYS A 43 5.309 4.318 2.253 1.00 44.50 H new ATOM 0 HD2 LYS A 43 5.479 4.492 4.720 1.00 15.20 H new ATOM 0 HD3 LYS A 43 7.015 4.080 3.984 1.00 15.20 H new ATOM 0 HE2 LYS A 43 7.773 6.412 4.162 1.00 2.10 H new ATOM 0 HE3 LYS A 43 6.210 6.903 4.784 1.00 2.10 H new ATOM 0 HZ1 LYS A 43 8.168 6.385 6.389 1.00 40.24 H new ATOM 0 HZ2 LYS A 43 6.588 5.918 6.800 1.00 40.24 H new ATOM 0 HZ3 LYS A 43 7.679 4.772 6.183 1.00 40.24 H new ATOM 660 N GLU A 44 8.286 6.284 -1.043 1.00 10.45 N ATOM 661 CA GLU A 44 9.202 7.063 -1.877 1.00 23.01 C ATOM 662 C GLU A 44 8.437 7.837 -2.944 1.00 44.12 C ATOM 663 O GLU A 44 8.619 9.045 -3.105 1.00 54.13 O ATOM 664 CB GLU A 44 10.220 6.149 -2.568 1.00 41.14 C ATOM 665 CG GLU A 44 11.136 6.892 -3.532 1.00 23.13 C ATOM 666 CD GLU A 44 11.777 5.984 -4.563 1.00 30.53 C ATOM 667 OE1 GLU A 44 11.111 5.663 -5.574 1.00 15.33 O ATOM 668 OE2 GLU A 44 12.950 5.603 -4.386 1.00 32.12 O ATOM 0 H GLU A 44 8.525 5.295 -0.968 1.00 10.45 H new ATOM 0 HA GLU A 44 9.724 7.762 -1.223 1.00 23.01 H new ATOM 0 HB2 GLU A 44 10.826 5.653 -1.810 1.00 41.14 H new ATOM 0 HB3 GLU A 44 9.688 5.368 -3.111 1.00 41.14 H new ATOM 0 HG2 GLU A 44 10.564 7.666 -4.044 1.00 23.13 H new ATOM 0 HG3 GLU A 44 11.918 7.397 -2.965 1.00 23.13 H new ATOM 675 N LYS A 45 7.563 7.130 -3.649 1.00 14.10 N ATOM 676 CA LYS A 45 6.873 7.683 -4.802 1.00 34.13 C ATOM 677 C LYS A 45 5.889 8.770 -4.393 1.00 2.21 C ATOM 678 O LYS A 45 5.703 9.749 -5.113 1.00 63.12 O ATOM 679 CB LYS A 45 6.152 6.573 -5.568 1.00 2.44 C ATOM 680 CG LYS A 45 7.072 5.424 -5.955 1.00 2.52 C ATOM 681 CD LYS A 45 6.385 4.427 -6.876 1.00 21.52 C ATOM 682 CE LYS A 45 6.077 5.045 -8.228 1.00 55.23 C ATOM 683 NZ LYS A 45 5.510 4.056 -9.182 1.00 64.04 N ATOM 0 H LYS A 45 7.315 6.163 -3.438 1.00 14.10 H new ATOM 0 HA LYS A 45 7.619 8.138 -5.453 1.00 34.13 H new ATOM 0 HB2 LYS A 45 5.336 6.188 -4.956 1.00 2.44 H new ATOM 0 HB3 LYS A 45 5.704 6.992 -6.469 1.00 2.44 H new ATOM 0 HG2 LYS A 45 7.959 5.821 -6.448 1.00 2.52 H new ATOM 0 HG3 LYS A 45 7.410 4.912 -5.054 1.00 2.52 H new ATOM 0 HD2 LYS A 45 7.023 3.553 -7.010 1.00 21.52 H new ATOM 0 HD3 LYS A 45 5.461 4.079 -6.414 1.00 21.52 H new ATOM 0 HE2 LYS A 45 5.373 5.867 -8.098 1.00 55.23 H new ATOM 0 HE3 LYS A 45 6.989 5.470 -8.647 1.00 55.23 H new ATOM 0 HZ1 LYS A 45 5.315 4.522 -10.091 1.00 64.04 H new ATOM 0 HZ2 LYS A 45 6.192 3.284 -9.328 1.00 64.04 H new ATOM 0 HZ3 LYS A 45 4.626 3.668 -8.796 1.00 64.04 H new ATOM 697 N LEU A 46 5.268 8.596 -3.236 1.00 73.33 N ATOM 698 CA LEU A 46 4.322 9.582 -2.730 1.00 40.32 C ATOM 699 C LEU A 46 5.061 10.793 -2.173 1.00 43.12 C ATOM 700 O LEU A 46 4.618 11.934 -2.327 1.00 42.42 O ATOM 701 CB LEU A 46 3.436 8.963 -1.646 1.00 20.34 C ATOM 702 CG LEU A 46 2.612 7.753 -2.087 1.00 43.45 C ATOM 703 CD1 LEU A 46 1.842 7.181 -0.907 1.00 75.01 C ATOM 704 CD2 LEU A 46 1.659 8.136 -3.208 1.00 44.13 C ATOM 0 H LEU A 46 5.400 7.785 -2.631 1.00 73.33 H new ATOM 0 HA LEU A 46 3.690 9.908 -3.556 1.00 40.32 H new ATOM 0 HB2 LEU A 46 4.068 8.666 -0.809 1.00 20.34 H new ATOM 0 HB3 LEU A 46 2.756 9.729 -1.275 1.00 20.34 H new ATOM 0 HG LEU A 46 3.293 6.989 -2.462 1.00 43.45 H new ATOM 0 HD11 LEU A 46 1.260 6.320 -1.235 1.00 75.01 H new ATOM 0 HD12 LEU A 46 2.542 6.871 -0.131 1.00 75.01 H new ATOM 0 HD13 LEU A 46 1.171 7.941 -0.507 1.00 75.01 H new ATOM 0 HD21 LEU A 46 1.081 7.262 -3.509 1.00 44.13 H new ATOM 0 HD22 LEU A 46 0.982 8.916 -2.860 1.00 44.13 H new ATOM 0 HD23 LEU A 46 2.229 8.505 -4.061 1.00 44.13 H new ATOM 716 N TRP A 47 6.197 10.534 -1.544 1.00 65.51 N ATOM 717 CA TRP A 47 7.018 11.579 -0.954 1.00 65.43 C ATOM 718 C TRP A 47 7.563 12.529 -2.020 1.00 63.51 C ATOM 719 O TRP A 47 7.296 13.734 -1.980 1.00 35.41 O ATOM 720 CB TRP A 47 8.165 10.949 -0.161 1.00 34.40 C ATOM 721 CG TRP A 47 9.241 11.916 0.225 1.00 1.01 C ATOM 722 CD1 TRP A 47 9.134 12.969 1.087 1.00 75.31 C ATOM 723 CD2 TRP A 47 10.599 11.912 -0.235 1.00 13.41 C ATOM 724 NE1 TRP A 47 10.337 13.627 1.179 1.00 23.15 N ATOM 725 CE2 TRP A 47 11.251 12.995 0.381 1.00 2.21 C ATOM 726 CE3 TRP A 47 11.322 11.098 -1.109 1.00 54.35 C ATOM 727 CZ2 TRP A 47 12.590 13.288 0.150 1.00 63.35 C ATOM 728 CZ3 TRP A 47 12.655 11.390 -1.336 1.00 55.42 C ATOM 729 CH2 TRP A 47 13.276 12.476 -0.710 1.00 3.11 C ATOM 0 H TRP A 47 6.575 9.594 -1.428 1.00 65.51 H new ATOM 0 HA TRP A 47 6.394 12.165 -0.280 1.00 65.43 H new ATOM 0 HB2 TRP A 47 7.761 10.492 0.742 1.00 34.40 H new ATOM 0 HB3 TRP A 47 8.606 10.148 -0.754 1.00 34.40 H new ATOM 0 HD1 TRP A 47 8.235 13.245 1.619 1.00 75.31 H new ATOM 0 HE1 TRP A 47 10.519 14.453 1.750 1.00 23.15 H new ATOM 0 HE3 TRP A 47 10.851 10.258 -1.598 1.00 54.35 H new ATOM 0 HZ2 TRP A 47 13.071 14.126 0.632 1.00 63.35 H new ATOM 0 HZ3 TRP A 47 13.227 10.768 -2.009 1.00 55.42 H new ATOM 0 HH2 TRP A 47 14.318 12.677 -0.910 1.00 3.11 H new ATOM 740 N LYS A 48 8.300 11.984 -2.984 1.00 1.44 N ATOM 741 CA LYS A 48 8.965 12.806 -3.995 1.00 2.25 C ATOM 742 C LYS A 48 7.970 13.382 -4.998 1.00 55.23 C ATOM 743 O LYS A 48 8.335 14.182 -5.863 1.00 5.13 O ATOM 744 CB LYS A 48 10.055 12.012 -4.721 1.00 10.41 C ATOM 745 CG LYS A 48 9.552 10.776 -5.448 1.00 4.12 C ATOM 746 CD LYS A 48 10.685 10.092 -6.190 1.00 1.43 C ATOM 747 CE LYS A 48 10.229 8.818 -6.876 1.00 32.33 C ATOM 748 NZ LYS A 48 11.309 8.235 -7.713 1.00 21.22 N ATOM 0 H LYS A 48 8.452 10.981 -3.088 1.00 1.44 H new ATOM 0 HA LYS A 48 9.434 13.640 -3.473 1.00 2.25 H new ATOM 0 HB2 LYS A 48 10.547 12.667 -5.440 1.00 10.41 H new ATOM 0 HB3 LYS A 48 10.811 11.710 -3.996 1.00 10.41 H new ATOM 0 HG2 LYS A 48 9.108 10.083 -4.733 1.00 4.12 H new ATOM 0 HG3 LYS A 48 8.767 11.056 -6.151 1.00 4.12 H new ATOM 0 HD2 LYS A 48 11.097 10.776 -6.932 1.00 1.43 H new ATOM 0 HD3 LYS A 48 11.488 9.859 -5.491 1.00 1.43 H new ATOM 0 HE2 LYS A 48 9.916 8.092 -6.126 1.00 32.33 H new ATOM 0 HE3 LYS A 48 9.359 9.029 -7.498 1.00 32.33 H new ATOM 0 HZ1 LYS A 48 10.965 7.365 -8.168 1.00 21.22 H new ATOM 0 HZ2 LYS A 48 11.590 8.920 -8.443 1.00 21.22 H new ATOM 0 HZ3 LYS A 48 12.129 8.011 -7.114 1.00 21.22 H new ATOM 762 N LYS A 49 6.720 12.965 -4.886 1.00 60.41 N ATOM 763 CA LYS A 49 5.650 13.546 -5.676 1.00 24.22 C ATOM 764 C LYS A 49 5.252 14.897 -5.093 1.00 45.34 C ATOM 765 O LYS A 49 4.914 15.835 -5.819 1.00 45.11 O ATOM 766 CB LYS A 49 4.433 12.616 -5.678 1.00 61.14 C ATOM 767 CG LYS A 49 3.225 13.202 -6.390 1.00 63.42 C ATOM 768 CD LYS A 49 1.938 12.499 -5.993 1.00 61.23 C ATOM 769 CE LYS A 49 0.729 13.193 -6.595 1.00 11.53 C ATOM 770 NZ LYS A 49 -0.546 12.619 -6.101 1.00 31.41 N ATOM 0 H LYS A 49 6.422 12.223 -4.253 1.00 60.41 H new ATOM 0 HA LYS A 49 6.002 13.680 -6.699 1.00 24.22 H new ATOM 0 HB2 LYS A 49 4.705 11.675 -6.156 1.00 61.14 H new ATOM 0 HB3 LYS A 49 4.161 12.384 -4.648 1.00 61.14 H new ATOM 0 HG2 LYS A 49 3.146 14.264 -6.157 1.00 63.42 H new ATOM 0 HG3 LYS A 49 3.365 13.122 -7.468 1.00 63.42 H new ATOM 0 HD2 LYS A 49 1.969 11.461 -6.326 1.00 61.23 H new ATOM 0 HD3 LYS A 49 1.849 12.483 -4.907 1.00 61.23 H new ATOM 0 HE2 LYS A 49 0.765 14.256 -6.355 1.00 11.53 H new ATOM 0 HE3 LYS A 49 0.767 13.110 -7.681 1.00 11.53 H new ATOM 0 HZ1 LYS A 49 -1.345 13.122 -6.537 1.00 31.41 H new ATOM 0 HZ2 LYS A 49 -0.593 11.611 -6.352 1.00 31.41 H new ATOM 0 HZ3 LYS A 49 -0.595 12.721 -5.067 1.00 31.41 H new ATOM 784 N CYS A 50 5.323 14.992 -3.775 1.00 50.33 N ATOM 785 CA CYS A 50 4.804 16.146 -3.065 1.00 2.21 C ATOM 786 C CYS A 50 5.922 17.084 -2.611 1.00 51.44 C ATOM 787 O CYS A 50 5.860 18.290 -2.850 1.00 13.44 O ATOM 788 CB CYS A 50 3.996 15.678 -1.854 1.00 14.41 C ATOM 789 SG CYS A 50 2.793 14.378 -2.228 1.00 54.21 S ATOM 0 H CYS A 50 5.737 14.279 -3.174 1.00 50.33 H new ATOM 0 HA CYS A 50 4.164 16.703 -3.749 1.00 2.21 H new ATOM 0 HB2 CYS A 50 4.683 15.314 -1.091 1.00 14.41 H new ATOM 0 HB3 CYS A 50 3.471 16.533 -1.428 1.00 14.41 H new ATOM 0 HG CYS A 50 3.415 13.252 -2.417 1.00 54.21 H new ATOM 795 N GLY A 51 6.947 16.532 -1.971 1.00 74.02 N ATOM 796 CA GLY A 51 7.965 17.366 -1.355 1.00 72.42 C ATOM 797 C GLY A 51 7.521 17.836 0.014 1.00 52.13 C ATOM 798 O GLY A 51 7.895 18.917 0.476 1.00 40.10 O ATOM 0 H GLY A 51 7.092 15.528 -1.867 1.00 74.02 H new ATOM 0 HA2 GLY A 51 8.896 16.806 -1.268 1.00 72.42 H new ATOM 0 HA3 GLY A 51 8.170 18.227 -1.991 1.00 72.42 H new ATOM 802 N THR A 52 6.697 17.022 0.650 1.00 31.41 N ATOM 803 CA THR A 52 6.153 17.324 1.962 1.00 63.34 C ATOM 804 C THR A 52 6.928 16.562 3.038 1.00 44.33 C ATOM 805 O THR A 52 7.593 15.569 2.735 1.00 54.11 O ATOM 806 CB THR A 52 4.652 16.948 2.007 1.00 12.23 C ATOM 807 OG1 THR A 52 3.953 17.633 0.958 1.00 32.30 O ATOM 808 CG2 THR A 52 4.014 17.295 3.345 1.00 41.34 C ATOM 0 H THR A 52 6.385 16.129 0.269 1.00 31.41 H new ATOM 0 HA THR A 52 6.252 18.392 2.154 1.00 63.34 H new ATOM 0 HB THR A 52 4.580 15.869 1.872 1.00 12.23 H new ATOM 0 HG1 THR A 52 3.003 17.393 0.987 1.00 32.30 H new ATOM 0 HG21 THR A 52 2.961 17.013 3.330 1.00 41.34 H new ATOM 0 HG22 THR A 52 4.523 16.753 4.142 1.00 41.34 H new ATOM 0 HG23 THR A 52 4.100 18.367 3.522 1.00 41.34 H new ATOM 816 N SER A 53 6.876 17.045 4.277 1.00 1.40 N ATOM 817 CA SER A 53 7.512 16.365 5.398 1.00 70.23 C ATOM 818 C SER A 53 7.013 14.920 5.491 1.00 4.44 C ATOM 819 O SER A 53 5.815 14.661 5.347 1.00 22.22 O ATOM 820 CB SER A 53 7.208 17.110 6.697 1.00 72.13 C ATOM 821 OG SER A 53 7.484 18.498 6.572 1.00 0.51 O ATOM 0 H SER A 53 6.397 17.910 4.529 1.00 1.40 H new ATOM 0 HA SER A 53 8.590 16.353 5.239 1.00 70.23 H new ATOM 0 HB2 SER A 53 6.161 16.968 6.964 1.00 72.13 H new ATOM 0 HB3 SER A 53 7.803 16.690 7.508 1.00 72.13 H new ATOM 0 HG SER A 53 7.279 18.950 7.417 1.00 0.51 H new ATOM 827 N VAL A 54 7.927 13.988 5.733 1.00 54.30 N ATOM 828 CA VAL A 54 7.583 12.568 5.764 1.00 73.02 C ATOM 829 C VAL A 54 6.675 12.244 6.957 1.00 44.31 C ATOM 830 O VAL A 54 5.925 11.269 6.933 1.00 55.11 O ATOM 831 CB VAL A 54 8.854 11.681 5.796 1.00 22.14 C ATOM 832 CG1 VAL A 54 9.630 11.863 7.093 1.00 52.20 C ATOM 833 CG2 VAL A 54 8.499 10.216 5.578 1.00 14.53 C ATOM 0 H VAL A 54 8.911 14.188 5.911 1.00 54.30 H new ATOM 0 HA VAL A 54 7.037 12.346 4.847 1.00 73.02 H new ATOM 0 HB VAL A 54 9.499 12.002 4.978 1.00 22.14 H new ATOM 0 HG11 VAL A 54 10.514 11.226 7.080 1.00 52.20 H new ATOM 0 HG12 VAL A 54 9.935 12.905 7.192 1.00 52.20 H new ATOM 0 HG13 VAL A 54 8.997 11.589 7.937 1.00 52.20 H new ATOM 0 HG21 VAL A 54 9.407 9.614 5.605 1.00 14.53 H new ATOM 0 HG22 VAL A 54 7.821 9.885 6.365 1.00 14.53 H new ATOM 0 HG23 VAL A 54 8.015 10.099 4.609 1.00 14.53 H new ATOM 843 N ASN A 55 6.731 13.083 7.984 1.00 32.32 N ATOM 844 CA ASN A 55 5.886 12.909 9.160 1.00 3.05 C ATOM 845 C ASN A 55 4.461 13.371 8.872 1.00 35.43 C ATOM 846 O ASN A 55 3.506 12.902 9.489 1.00 43.22 O ATOM 847 CB ASN A 55 6.472 13.677 10.351 1.00 14.43 C ATOM 848 CG ASN A 55 5.676 13.488 11.629 1.00 24.01 C ATOM 849 OD1 ASN A 55 5.863 12.509 12.354 1.00 13.11 O ATOM 850 ND2 ASN A 55 4.802 14.433 11.934 1.00 30.43 N ATOM 0 H ASN A 55 7.352 13.891 8.027 1.00 32.32 H new ATOM 0 HA ASN A 55 5.855 11.849 9.411 1.00 3.05 H new ATOM 0 HB2 ASN A 55 7.498 13.350 10.517 1.00 14.43 H new ATOM 0 HB3 ASN A 55 6.511 14.739 10.108 1.00 14.43 H new ATOM 0 HD21 ASN A 55 4.257 14.365 12.793 1.00 30.43 H new ATOM 0 HD22 ASN A 55 4.674 15.230 11.310 1.00 30.43 H new ATOM 857 N SER A 56 4.321 14.287 7.920 1.00 64.24 N ATOM 858 CA SER A 56 3.010 14.780 7.519 1.00 54.01 C ATOM 859 C SER A 56 2.273 13.724 6.698 1.00 4.30 C ATOM 860 O SER A 56 1.041 13.710 6.638 1.00 45.45 O ATOM 861 CB SER A 56 3.160 16.066 6.708 1.00 61.42 C ATOM 862 OG SER A 56 3.949 17.017 7.402 1.00 34.01 O ATOM 0 H SER A 56 5.101 14.703 7.411 1.00 64.24 H new ATOM 0 HA SER A 56 2.427 14.993 8.415 1.00 54.01 H new ATOM 0 HB2 SER A 56 3.619 15.841 5.745 1.00 61.42 H new ATOM 0 HB3 SER A 56 2.176 16.486 6.502 1.00 61.42 H new ATOM 0 HG SER A 56 4.032 17.830 6.862 1.00 34.01 H new ATOM 868 N MET A 57 3.040 12.843 6.071 1.00 32.52 N ATOM 869 CA MET A 57 2.471 11.761 5.285 1.00 23.01 C ATOM 870 C MET A 57 2.306 10.520 6.154 1.00 40.01 C ATOM 871 O MET A 57 3.172 9.642 6.187 1.00 34.54 O ATOM 872 CB MET A 57 3.354 11.454 4.071 1.00 20.35 C ATOM 873 CG MET A 57 2.795 10.370 3.160 1.00 12.13 C ATOM 874 SD MET A 57 3.889 9.995 1.776 1.00 42.22 S ATOM 875 CE MET A 57 5.389 9.525 2.637 1.00 62.41 C ATOM 0 H MET A 57 4.060 12.858 6.092 1.00 32.52 H new ATOM 0 HA MET A 57 1.491 12.069 4.921 1.00 23.01 H new ATOM 0 HB2 MET A 57 3.489 12.368 3.492 1.00 20.35 H new ATOM 0 HB3 MET A 57 4.341 11.149 4.420 1.00 20.35 H new ATOM 0 HG2 MET A 57 2.627 9.463 3.741 1.00 12.13 H new ATOM 0 HG3 MET A 57 1.825 10.687 2.776 1.00 12.13 H new ATOM 0 HE1 MET A 57 6.039 8.971 1.960 1.00 62.41 H new ATOM 0 HE2 MET A 57 5.905 10.420 2.984 1.00 62.41 H new ATOM 0 HE3 MET A 57 5.136 8.898 3.492 1.00 62.41 H new ATOM 885 N ALA A 58 1.206 10.472 6.887 1.00 52.31 N ATOM 886 CA ALA A 58 0.928 9.350 7.763 1.00 51.52 C ATOM 887 C ALA A 58 0.168 8.272 7.010 1.00 64.31 C ATOM 888 O ALA A 58 -0.729 8.567 6.221 1.00 23.14 O ATOM 889 CB ALA A 58 0.148 9.806 8.984 1.00 12.13 C ATOM 0 H ALA A 58 0.491 11.199 6.892 1.00 52.31 H new ATOM 0 HA ALA A 58 1.875 8.931 8.104 1.00 51.52 H new ATOM 0 HB1 ALA A 58 -0.051 8.950 9.629 1.00 12.13 H new ATOM 0 HB2 ALA A 58 0.731 10.546 9.532 1.00 12.13 H new ATOM 0 HB3 ALA A 58 -0.796 10.249 8.668 1.00 12.13 H new ATOM 895 N LEU A 59 0.536 7.027 7.244 1.00 71.22 N ATOM 896 CA LEU A 59 -0.109 5.907 6.589 1.00 23.30 C ATOM 897 C LEU A 59 -0.650 4.959 7.648 1.00 72.04 C ATOM 898 O LEU A 59 0.098 4.456 8.482 1.00 62.23 O ATOM 899 CB LEU A 59 0.895 5.187 5.669 1.00 0.45 C ATOM 900 CG LEU A 59 0.297 4.243 4.611 1.00 55.14 C ATOM 901 CD1 LEU A 59 1.348 3.891 3.571 1.00 33.32 C ATOM 902 CD2 LEU A 59 -0.244 2.968 5.240 1.00 22.32 C ATOM 0 H LEU A 59 1.283 6.766 7.887 1.00 71.22 H new ATOM 0 HA LEU A 59 -0.936 6.262 5.974 1.00 23.30 H new ATOM 0 HB2 LEU A 59 1.491 5.942 5.156 1.00 0.45 H new ATOM 0 HB3 LEU A 59 1.579 4.612 6.293 1.00 0.45 H new ATOM 0 HG LEU A 59 -0.532 4.765 4.134 1.00 55.14 H new ATOM 0 HD11 LEU A 59 0.914 3.223 2.827 1.00 33.32 H new ATOM 0 HD12 LEU A 59 1.695 4.801 3.082 1.00 33.32 H new ATOM 0 HD13 LEU A 59 2.189 3.396 4.057 1.00 33.32 H new ATOM 0 HD21 LEU A 59 -0.658 2.326 4.463 1.00 22.32 H new ATOM 0 HD22 LEU A 59 0.563 2.444 5.752 1.00 22.32 H new ATOM 0 HD23 LEU A 59 -1.025 3.219 5.957 1.00 22.32 H new ATOM 914 N GLU A 60 -1.950 4.745 7.631 1.00 34.34 N ATOM 915 CA GLU A 60 -2.569 3.815 8.556 1.00 35.25 C ATOM 916 C GLU A 60 -2.740 2.458 7.886 1.00 74.12 C ATOM 917 O GLU A 60 -3.557 2.303 6.978 1.00 53.51 O ATOM 918 CB GLU A 60 -3.927 4.344 9.030 1.00 74.11 C ATOM 919 CG GLU A 60 -3.862 5.723 9.667 1.00 2.41 C ATOM 920 CD GLU A 60 -2.909 5.793 10.845 1.00 0.43 C ATOM 921 OE1 GLU A 60 -3.206 5.189 11.895 1.00 11.12 O ATOM 922 OE2 GLU A 60 -1.870 6.474 10.734 1.00 42.52 O ATOM 0 H GLU A 60 -2.598 5.201 6.989 1.00 34.34 H new ATOM 0 HA GLU A 60 -1.922 3.707 9.426 1.00 35.25 H new ATOM 0 HB2 GLU A 60 -4.609 4.379 8.181 1.00 74.11 H new ATOM 0 HB3 GLU A 60 -4.349 3.642 9.749 1.00 74.11 H new ATOM 0 HG2 GLU A 60 -3.554 6.449 8.915 1.00 2.41 H new ATOM 0 HG3 GLU A 60 -4.860 6.011 9.998 1.00 2.41 H new ATOM 929 N LEU A 61 -1.931 1.493 8.306 1.00 53.32 N ATOM 930 CA LEU A 61 -2.028 0.138 7.784 1.00 11.22 C ATOM 931 C LEU A 61 -3.267 -0.547 8.352 1.00 72.14 C ATOM 932 O LEU A 61 -3.214 -1.206 9.395 1.00 14.25 O ATOM 933 CB LEU A 61 -0.768 -0.658 8.131 1.00 42.11 C ATOM 934 CG LEU A 61 -0.673 -2.044 7.483 1.00 23.52 C ATOM 935 CD1 LEU A 61 -0.540 -1.917 5.971 1.00 43.21 C ATOM 936 CD2 LEU A 61 0.503 -2.824 8.054 1.00 13.21 C ATOM 0 H LEU A 61 -1.201 1.625 9.006 1.00 53.32 H new ATOM 0 HA LEU A 61 -2.116 0.181 6.698 1.00 11.22 H new ATOM 0 HB2 LEU A 61 0.104 -0.075 7.834 1.00 42.11 H new ATOM 0 HB3 LEU A 61 -0.719 -0.776 9.213 1.00 42.11 H new ATOM 0 HG LEU A 61 -1.590 -2.590 7.707 1.00 23.52 H new ATOM 0 HD11 LEU A 61 -0.474 -2.910 5.527 1.00 43.21 H new ATOM 0 HD12 LEU A 61 -1.411 -1.398 5.571 1.00 43.21 H new ATOM 0 HD13 LEU A 61 0.360 -1.352 5.731 1.00 43.21 H new ATOM 0 HD21 LEU A 61 0.553 -3.805 7.581 1.00 13.21 H new ATOM 0 HD22 LEU A 61 1.428 -2.281 7.861 1.00 13.21 H new ATOM 0 HD23 LEU A 61 0.371 -2.946 9.129 1.00 13.21 H new ATOM 948 N TYR A 62 -4.388 -0.366 7.671 1.00 33.45 N ATOM 949 CA TYR A 62 -5.667 -0.806 8.191 1.00 65.43 C ATOM 950 C TYR A 62 -6.085 -2.172 7.672 1.00 61.33 C ATOM 951 O TYR A 62 -6.230 -2.385 6.468 1.00 54.01 O ATOM 952 CB TYR A 62 -6.771 0.202 7.852 1.00 34.02 C ATOM 953 CG TYR A 62 -6.889 1.352 8.823 1.00 0.12 C ATOM 954 CD1 TYR A 62 -6.603 1.182 10.169 1.00 25.31 C ATOM 955 CD2 TYR A 62 -7.304 2.604 8.393 1.00 2.31 C ATOM 956 CE1 TYR A 62 -6.724 2.229 11.061 1.00 35.24 C ATOM 957 CE2 TYR A 62 -7.430 3.654 9.278 1.00 34.21 C ATOM 958 CZ TYR A 62 -7.138 3.463 10.609 1.00 35.31 C ATOM 959 OH TYR A 62 -7.268 4.507 11.492 1.00 34.44 O ATOM 0 H TYR A 62 -4.435 0.083 6.756 1.00 33.45 H new ATOM 0 HA TYR A 62 -5.535 -0.879 9.271 1.00 65.43 H new ATOM 0 HB2 TYR A 62 -6.586 0.602 6.855 1.00 34.02 H new ATOM 0 HB3 TYR A 62 -7.725 -0.323 7.813 1.00 34.02 H new ATOM 0 HD1 TYR A 62 -6.280 0.215 10.526 1.00 25.31 H new ATOM 0 HD2 TYR A 62 -7.532 2.759 7.349 1.00 2.31 H new ATOM 0 HE1 TYR A 62 -6.496 2.082 12.106 1.00 35.24 H new ATOM 0 HE2 TYR A 62 -7.756 4.622 8.928 1.00 34.21 H new ATOM 0 HH TYR A 62 -7.568 5.307 11.011 1.00 34.44 H new ATOM 969 N ASP A 63 -6.259 -3.098 8.597 1.00 34.31 N ATOM 970 CA ASP A 63 -7.099 -4.254 8.352 1.00 12.11 C ATOM 971 C ASP A 63 -8.532 -3.767 8.474 1.00 3.14 C ATOM 972 O ASP A 63 -8.801 -2.876 9.284 1.00 15.42 O ATOM 973 CB ASP A 63 -6.812 -5.362 9.370 1.00 74.24 C ATOM 974 CG ASP A 63 -7.786 -6.523 9.277 1.00 63.32 C ATOM 975 OD1 ASP A 63 -7.599 -7.401 8.409 1.00 74.41 O ATOM 976 OD2 ASP A 63 -8.742 -6.566 10.081 1.00 73.44 O ATOM 0 H ASP A 63 -5.831 -3.072 9.522 1.00 34.31 H new ATOM 0 HA ASP A 63 -6.908 -4.680 7.367 1.00 12.11 H new ATOM 0 HB2 ASP A 63 -5.798 -5.733 9.218 1.00 74.24 H new ATOM 0 HB3 ASP A 63 -6.851 -4.943 10.375 1.00 74.24 H new ATOM 981 N ASP A 64 -9.453 -4.304 7.690 1.00 60.32 N ATOM 982 CA ASP A 64 -10.798 -3.738 7.646 1.00 13.42 C ATOM 983 C ASP A 64 -11.621 -4.203 8.843 1.00 35.43 C ATOM 984 O ASP A 64 -12.612 -4.920 8.710 1.00 31.35 O ATOM 985 CB ASP A 64 -11.506 -4.072 6.335 1.00 73.44 C ATOM 986 CG ASP A 64 -12.723 -3.197 6.104 1.00 73.03 C ATOM 987 OD1 ASP A 64 -12.548 -2.003 5.779 1.00 73.42 O ATOM 988 OD2 ASP A 64 -13.861 -3.697 6.223 1.00 43.31 O ATOM 0 H ASP A 64 -9.303 -5.113 7.087 1.00 60.32 H new ATOM 0 HA ASP A 64 -10.700 -2.654 7.698 1.00 13.42 H new ATOM 0 HB2 ASP A 64 -10.809 -3.949 5.506 1.00 73.44 H new ATOM 0 HB3 ASP A 64 -11.809 -5.119 6.344 1.00 73.44 H new ATOM 993 N SER A 65 -11.152 -3.813 10.014 1.00 62.11 N ATOM 994 CA SER A 65 -11.863 -4.035 11.257 1.00 30.03 C ATOM 995 C SER A 65 -12.080 -2.702 11.968 1.00 32.13 C ATOM 996 O SER A 65 -13.130 -2.468 12.572 1.00 11.01 O ATOM 997 CB SER A 65 -11.081 -4.999 12.153 1.00 25.53 C ATOM 998 OG SER A 65 -10.931 -6.268 11.531 1.00 41.15 O ATOM 0 H SER A 65 -10.261 -3.330 10.129 1.00 62.11 H new ATOM 0 HA SER A 65 -12.833 -4.483 11.039 1.00 30.03 H new ATOM 0 HB2 SER A 65 -10.099 -4.580 12.373 1.00 25.53 H new ATOM 0 HB3 SER A 65 -11.598 -5.116 13.105 1.00 25.53 H new ATOM 0 HG SER A 65 -10.208 -6.225 10.871 1.00 41.15 H new ATOM 1004 N GLY A 66 -11.089 -1.822 11.876 1.00 12.35 N ATOM 1005 CA GLY A 66 -11.210 -0.505 12.467 1.00 41.32 C ATOM 1006 C GLY A 66 -9.869 0.092 12.830 1.00 55.11 C ATOM 1007 O GLY A 66 -9.544 1.208 12.423 1.00 31.34 O ATOM 0 H GLY A 66 -10.203 -1.999 11.402 1.00 12.35 H new ATOM 0 HA2 GLY A 66 -11.722 0.157 11.769 1.00 41.32 H new ATOM 0 HA3 GLY A 66 -11.831 -0.567 13.361 1.00 41.32 H new ATOM 1011 N SER A 67 -9.095 -0.646 13.603 1.00 31.52 N ATOM 1012 CA SER A 67 -7.786 -0.192 14.030 1.00 41.54 C ATOM 1013 C SER A 67 -6.700 -0.762 13.123 1.00 63.00 C ATOM 1014 O SER A 67 -6.942 -1.691 12.346 1.00 42.14 O ATOM 1015 CB SER A 67 -7.539 -0.603 15.483 1.00 21.33 C ATOM 1016 OG SER A 67 -6.322 -0.063 15.971 1.00 24.50 O ATOM 0 H SER A 67 -9.353 -1.570 13.950 1.00 31.52 H new ATOM 0 HA SER A 67 -7.752 0.895 13.961 1.00 41.54 H new ATOM 0 HB2 SER A 67 -8.366 -0.262 16.105 1.00 21.33 H new ATOM 0 HB3 SER A 67 -7.512 -1.690 15.556 1.00 21.33 H new ATOM 0 HG SER A 67 -6.191 -0.340 16.902 1.00 24.50 H new ATOM 1022 N LYS A 68 -5.508 -0.187 13.217 1.00 53.11 N ATOM 1023 CA LYS A 68 -4.358 -0.671 12.470 1.00 2.33 C ATOM 1024 C LYS A 68 -3.755 -1.879 13.175 1.00 73.42 C ATOM 1025 O LYS A 68 -3.659 -1.909 14.402 1.00 32.25 O ATOM 1026 CB LYS A 68 -3.312 0.440 12.310 1.00 31.14 C ATOM 1027 CG LYS A 68 -2.934 1.114 13.618 1.00 31.24 C ATOM 1028 CD LYS A 68 -1.902 2.211 13.413 1.00 74.50 C ATOM 1029 CE LYS A 68 -1.631 2.948 14.713 1.00 51.44 C ATOM 1030 NZ LYS A 68 -0.593 4.002 14.562 1.00 71.25 N ATOM 0 H LYS A 68 -5.313 0.621 13.808 1.00 53.11 H new ATOM 0 HA LYS A 68 -4.685 -0.972 11.475 1.00 2.33 H new ATOM 0 HB2 LYS A 68 -2.415 0.020 11.855 1.00 31.14 H new ATOM 0 HB3 LYS A 68 -3.696 1.192 11.621 1.00 31.14 H new ATOM 0 HG2 LYS A 68 -3.826 1.537 14.080 1.00 31.24 H new ATOM 0 HG3 LYS A 68 -2.540 0.369 14.309 1.00 31.24 H new ATOM 0 HD2 LYS A 68 -0.976 1.779 13.035 1.00 74.50 H new ATOM 0 HD3 LYS A 68 -2.257 2.914 12.659 1.00 74.50 H new ATOM 0 HE2 LYS A 68 -2.556 3.401 15.070 1.00 51.44 H new ATOM 0 HE3 LYS A 68 -1.312 2.234 15.472 1.00 51.44 H new ATOM 0 HZ1 LYS A 68 -0.444 4.476 15.476 1.00 71.25 H new ATOM 0 HZ2 LYS A 68 0.298 3.569 14.247 1.00 71.25 H new ATOM 0 HZ3 LYS A 68 -0.907 4.700 13.857 1.00 71.25 H new ATOM 1044 N VAL A 69 -3.352 -2.874 12.402 1.00 22.24 N ATOM 1045 CA VAL A 69 -2.828 -4.111 12.971 1.00 24.35 C ATOM 1046 C VAL A 69 -1.329 -4.024 13.219 1.00 42.11 C ATOM 1047 O VAL A 69 -0.719 -4.962 13.735 1.00 11.11 O ATOM 1048 CB VAL A 69 -3.124 -5.326 12.065 1.00 13.32 C ATOM 1049 CG1 VAL A 69 -4.617 -5.613 12.023 1.00 15.10 C ATOM 1050 CG2 VAL A 69 -2.580 -5.096 10.662 1.00 45.01 C ATOM 0 H VAL A 69 -3.376 -2.853 11.383 1.00 22.24 H new ATOM 0 HA VAL A 69 -3.337 -4.250 13.925 1.00 24.35 H new ATOM 0 HB VAL A 69 -2.621 -6.197 12.486 1.00 13.32 H new ATOM 0 HG11 VAL A 69 -4.804 -6.473 11.379 1.00 15.10 H new ATOM 0 HG12 VAL A 69 -4.974 -5.829 13.030 1.00 15.10 H new ATOM 0 HG13 VAL A 69 -5.144 -4.744 11.630 1.00 15.10 H new ATOM 0 HG21 VAL A 69 -2.799 -5.964 10.040 1.00 45.01 H new ATOM 0 HG22 VAL A 69 -3.049 -4.212 10.230 1.00 45.01 H new ATOM 0 HG23 VAL A 69 -1.501 -4.947 10.710 1.00 45.01 H new ATOM 1060 N ALA A 70 -0.733 -2.896 12.868 1.00 61.40 N ATOM 1061 CA ALA A 70 0.697 -2.720 13.031 1.00 55.50 C ATOM 1062 C ALA A 70 1.036 -1.275 13.344 1.00 63.42 C ATOM 1063 O ALA A 70 0.325 -0.359 12.931 1.00 72.21 O ATOM 1064 CB ALA A 70 1.439 -3.173 11.780 1.00 15.11 C ATOM 0 H ALA A 70 -1.218 -2.092 12.470 1.00 61.40 H new ATOM 0 HA ALA A 70 1.016 -3.337 13.871 1.00 55.50 H new ATOM 0 HB1 ALA A 70 2.511 -3.033 11.922 1.00 15.11 H new ATOM 0 HB2 ALA A 70 1.232 -4.227 11.596 1.00 15.11 H new ATOM 0 HB3 ALA A 70 1.106 -2.583 10.926 1.00 15.11 H new ATOM 1070 N VAL A 71 2.121 -1.082 14.081 1.00 72.43 N ATOM 1071 CA VAL A 71 2.639 0.251 14.366 1.00 43.13 C ATOM 1072 C VAL A 71 3.247 0.858 13.095 1.00 51.03 C ATOM 1073 O VAL A 71 3.446 2.071 12.993 1.00 2.13 O ATOM 1074 CB VAL A 71 3.683 0.196 15.514 1.00 71.02 C ATOM 1075 CG1 VAL A 71 4.829 -0.749 15.177 1.00 32.40 C ATOM 1076 CG2 VAL A 71 4.212 1.581 15.856 1.00 24.23 C ATOM 0 H VAL A 71 2.665 -1.839 14.496 1.00 72.43 H new ATOM 0 HA VAL A 71 1.818 0.889 14.694 1.00 43.13 H new ATOM 0 HB VAL A 71 3.171 -0.193 16.394 1.00 71.02 H new ATOM 0 HG11 VAL A 71 5.542 -0.764 16.001 1.00 32.40 H new ATOM 0 HG12 VAL A 71 4.437 -1.754 15.017 1.00 32.40 H new ATOM 0 HG13 VAL A 71 5.329 -0.406 14.271 1.00 32.40 H new ATOM 0 HG21 VAL A 71 4.940 1.503 16.663 1.00 24.23 H new ATOM 0 HG22 VAL A 71 4.689 2.015 14.978 1.00 24.23 H new ATOM 0 HG23 VAL A 71 3.386 2.218 16.172 1.00 24.23 H new ATOM 1086 N LEU A 72 3.532 -0.017 12.130 1.00 53.54 N ATOM 1087 CA LEU A 72 4.018 0.369 10.804 1.00 54.31 C ATOM 1088 C LEU A 72 5.388 1.042 10.878 1.00 34.32 C ATOM 1089 O LEU A 72 5.807 1.733 9.953 1.00 42.14 O ATOM 1090 CB LEU A 72 3.010 1.270 10.081 1.00 10.02 C ATOM 1091 CG LEU A 72 3.279 1.451 8.583 1.00 31.05 C ATOM 1092 CD1 LEU A 72 3.205 0.114 7.856 1.00 65.41 C ATOM 1093 CD2 LEU A 72 2.302 2.434 7.977 1.00 53.02 C ATOM 0 H LEU A 72 3.431 -1.025 12.248 1.00 53.54 H new ATOM 0 HA LEU A 72 4.129 -0.548 10.225 1.00 54.31 H new ATOM 0 HB2 LEU A 72 2.011 0.853 10.210 1.00 10.02 H new ATOM 0 HB3 LEU A 72 3.010 2.250 10.558 1.00 10.02 H new ATOM 0 HG LEU A 72 4.286 1.851 8.468 1.00 31.05 H new ATOM 0 HD11 LEU A 72 3.399 0.266 6.794 1.00 65.41 H new ATOM 0 HD12 LEU A 72 3.951 -0.566 8.268 1.00 65.41 H new ATOM 0 HD13 LEU A 72 2.212 -0.316 7.985 1.00 65.41 H new ATOM 0 HD21 LEU A 72 2.512 2.547 6.913 1.00 53.02 H new ATOM 0 HD22 LEU A 72 1.285 2.065 8.109 1.00 53.02 H new ATOM 0 HD23 LEU A 72 2.404 3.400 8.471 1.00 53.02 H new ATOM 1105 N SER A 73 6.095 0.815 11.974 1.00 30.22 N ATOM 1106 CA SER A 73 7.493 1.199 12.065 1.00 34.34 C ATOM 1107 C SER A 73 8.333 0.107 11.416 1.00 25.24 C ATOM 1108 O SER A 73 9.561 0.160 11.391 1.00 5.43 O ATOM 1109 CB SER A 73 7.896 1.411 13.524 1.00 21.13 C ATOM 1110 OG SER A 73 7.074 2.396 14.133 1.00 52.12 O ATOM 0 H SER A 73 5.723 0.367 12.812 1.00 30.22 H new ATOM 0 HA SER A 73 7.658 2.142 11.544 1.00 34.34 H new ATOM 0 HB2 SER A 73 7.812 0.471 14.070 1.00 21.13 H new ATOM 0 HB3 SER A 73 8.940 1.718 13.577 1.00 21.13 H new ATOM 0 HG SER A 73 7.346 2.517 15.067 1.00 52.12 H new ATOM 1116 N ASP A 74 7.621 -0.884 10.898 1.00 64.44 N ATOM 1117 CA ASP A 74 8.204 -1.991 10.162 1.00 1.41 C ATOM 1118 C ASP A 74 8.017 -1.747 8.669 1.00 2.15 C ATOM 1119 O ASP A 74 8.011 -2.680 7.870 1.00 12.13 O ATOM 1120 CB ASP A 74 7.501 -3.298 10.544 1.00 63.23 C ATOM 1121 CG ASP A 74 7.336 -3.474 12.041 1.00 24.54 C ATOM 1122 OD1 ASP A 74 6.374 -2.906 12.608 1.00 33.12 O ATOM 1123 OD2 ASP A 74 8.153 -4.191 12.654 1.00 72.33 O ATOM 0 H ASP A 74 6.606 -0.940 10.980 1.00 64.44 H new ATOM 0 HA ASP A 74 9.264 -2.066 10.403 1.00 1.41 H new ATOM 0 HB2 ASP A 74 6.519 -3.326 10.071 1.00 63.23 H new ATOM 0 HB3 ASP A 74 8.070 -4.138 10.147 1.00 63.23 H new ATOM 1128 N ASP A 75 7.870 -0.479 8.298 1.00 61.22 N ATOM 1129 CA ASP A 75 7.541 -0.108 6.923 1.00 0.54 C ATOM 1130 C ASP A 75 8.720 -0.342 5.983 1.00 14.44 C ATOM 1131 O ASP A 75 8.553 -0.384 4.763 1.00 73.21 O ATOM 1132 CB ASP A 75 7.082 1.356 6.851 1.00 54.04 C ATOM 1133 CG ASP A 75 8.193 2.355 7.120 1.00 72.15 C ATOM 1134 OD1 ASP A 75 8.890 2.224 8.147 1.00 30.00 O ATOM 1135 OD2 ASP A 75 8.369 3.285 6.302 1.00 41.22 O ATOM 0 H ASP A 75 7.974 0.313 8.932 1.00 61.22 H new ATOM 0 HA ASP A 75 6.721 -0.748 6.597 1.00 0.54 H new ATOM 0 HB2 ASP A 75 6.663 1.549 5.863 1.00 54.04 H new ATOM 0 HB3 ASP A 75 6.281 1.513 7.573 1.00 54.04 H new ATOM 1140 N SER A 76 9.905 -0.514 6.549 1.00 2.41 N ATOM 1141 CA SER A 76 11.090 -0.792 5.755 1.00 13.32 C ATOM 1142 C SER A 76 11.222 -2.301 5.537 1.00 33.40 C ATOM 1143 O SER A 76 12.115 -2.769 4.830 1.00 35.40 O ATOM 1144 CB SER A 76 12.334 -0.228 6.454 1.00 51.33 C ATOM 1145 OG SER A 76 13.403 -0.023 5.541 1.00 12.25 O ATOM 0 H SER A 76 10.071 -0.466 7.554 1.00 2.41 H new ATOM 0 HA SER A 76 10.998 -0.309 4.782 1.00 13.32 H new ATOM 0 HB2 SER A 76 12.083 0.716 6.938 1.00 51.33 H new ATOM 0 HB3 SER A 76 12.653 -0.914 7.239 1.00 51.33 H new ATOM 0 HG SER A 76 13.560 0.938 5.432 1.00 12.25 H new ATOM 1151 N ARG A 77 10.310 -3.058 6.141 1.00 1.51 N ATOM 1152 CA ARG A 77 10.284 -4.508 5.996 1.00 11.33 C ATOM 1153 C ARG A 77 9.420 -4.904 4.800 1.00 42.32 C ATOM 1154 O ARG A 77 8.432 -4.232 4.494 1.00 62.53 O ATOM 1155 CB ARG A 77 9.710 -5.163 7.257 1.00 12.40 C ATOM 1156 CG ARG A 77 10.504 -4.913 8.534 1.00 14.02 C ATOM 1157 CD ARG A 77 11.756 -5.776 8.616 1.00 70.23 C ATOM 1158 NE ARG A 77 12.818 -5.306 7.731 1.00 73.50 N ATOM 1159 CZ ARG A 77 13.513 -6.092 6.913 1.00 13.24 C ATOM 1160 NH1 ARG A 77 13.218 -7.383 6.826 1.00 63.21 N ATOM 1161 NH2 ARG A 77 14.497 -5.588 6.177 1.00 12.32 N ATOM 0 H ARG A 77 9.574 -2.686 6.740 1.00 1.51 H new ATOM 0 HA ARG A 77 11.307 -4.850 5.841 1.00 11.33 H new ATOM 0 HB2 ARG A 77 8.692 -4.802 7.404 1.00 12.40 H new ATOM 0 HB3 ARG A 77 9.646 -6.239 7.092 1.00 12.40 H new ATOM 0 HG2 ARG A 77 10.787 -3.861 8.583 1.00 14.02 H new ATOM 0 HG3 ARG A 77 9.870 -5.113 9.398 1.00 14.02 H new ATOM 0 HD2 ARG A 77 12.121 -5.785 9.643 1.00 70.23 H new ATOM 0 HD3 ARG A 77 11.502 -6.804 8.359 1.00 70.23 H new ATOM 0 HE ARG A 77 13.041 -4.311 7.741 1.00 73.50 H new ATOM 0 HH11 ARG A 77 12.459 -7.772 7.386 1.00 63.21 H new ATOM 0 HH12 ARG A 77 13.750 -7.987 6.199 1.00 63.21 H new ATOM 0 HH21 ARG A 77 14.722 -4.595 6.238 1.00 12.32 H new ATOM 0 HH22 ARG A 77 15.028 -6.194 5.551 1.00 12.32 H new ATOM 1175 N PRO A 78 9.790 -5.981 4.093 1.00 72.04 N ATOM 1176 CA PRO A 78 8.965 -6.541 3.022 1.00 4.31 C ATOM 1177 C PRO A 78 7.676 -7.142 3.575 1.00 42.34 C ATOM 1178 O PRO A 78 7.700 -7.852 4.580 1.00 2.00 O ATOM 1179 CB PRO A 78 9.849 -7.634 2.401 1.00 1.44 C ATOM 1180 CG PRO A 78 11.223 -7.366 2.912 1.00 24.00 C ATOM 1181 CD PRO A 78 11.042 -6.725 4.258 1.00 73.15 C ATOM 0 HA PRO A 78 8.657 -5.785 2.300 1.00 4.31 H new ATOM 0 HB2 PRO A 78 9.508 -8.628 2.692 1.00 1.44 H new ATOM 0 HB3 PRO A 78 9.819 -7.593 1.312 1.00 1.44 H new ATOM 0 HG2 PRO A 78 11.797 -8.289 2.993 1.00 24.00 H new ATOM 0 HG3 PRO A 78 11.770 -6.709 2.236 1.00 24.00 H new ATOM 0 HD2 PRO A 78 10.971 -7.467 5.054 1.00 73.15 H new ATOM 0 HD3 PRO A 78 11.874 -6.067 4.509 1.00 73.15 H new ATOM 1189 N LEU A 79 6.565 -6.862 2.907 1.00 3.21 N ATOM 1190 CA LEU A 79 5.243 -7.280 3.377 1.00 44.43 C ATOM 1191 C LEU A 79 5.155 -8.794 3.583 1.00 25.05 C ATOM 1192 O LEU A 79 4.513 -9.265 4.522 1.00 0.00 O ATOM 1193 CB LEU A 79 4.169 -6.829 2.381 1.00 61.31 C ATOM 1194 CG LEU A 79 4.082 -5.316 2.160 1.00 55.51 C ATOM 1195 CD1 LEU A 79 3.042 -4.992 1.100 1.00 61.34 C ATOM 1196 CD2 LEU A 79 3.757 -4.605 3.465 1.00 1.40 C ATOM 0 H LEU A 79 6.550 -6.342 2.029 1.00 3.21 H new ATOM 0 HA LEU A 79 5.076 -6.806 4.344 1.00 44.43 H new ATOM 0 HB2 LEU A 79 4.360 -7.310 1.422 1.00 61.31 H new ATOM 0 HB3 LEU A 79 3.200 -7.186 2.729 1.00 61.31 H new ATOM 0 HG LEU A 79 5.051 -4.962 1.809 1.00 55.51 H new ATOM 0 HD11 LEU A 79 2.993 -3.913 0.956 1.00 61.34 H new ATOM 0 HD12 LEU A 79 3.318 -5.472 0.161 1.00 61.34 H new ATOM 0 HD13 LEU A 79 2.068 -5.359 1.422 1.00 61.34 H new ATOM 0 HD21 LEU A 79 3.699 -3.531 3.289 1.00 1.40 H new ATOM 0 HD22 LEU A 79 2.800 -4.963 3.846 1.00 1.40 H new ATOM 0 HD23 LEU A 79 4.539 -4.811 4.196 1.00 1.40 H new ATOM 1208 N GLY A 80 5.824 -9.544 2.717 1.00 2.42 N ATOM 1209 CA GLY A 80 5.772 -10.994 2.779 1.00 72.31 C ATOM 1210 C GLY A 80 6.625 -11.562 3.891 1.00 31.25 C ATOM 1211 O GLY A 80 6.543 -12.748 4.196 1.00 15.05 O ATOM 0 H GLY A 80 6.406 -9.172 1.967 1.00 2.42 H new ATOM 0 HA2 GLY A 80 4.739 -11.311 2.921 1.00 72.31 H new ATOM 0 HA3 GLY A 80 6.103 -11.406 1.826 1.00 72.31 H new ATOM 1215 N PHE A 81 7.452 -10.714 4.485 1.00 4.53 N ATOM 1216 CA PHE A 81 8.287 -11.121 5.602 1.00 21.34 C ATOM 1217 C PHE A 81 7.681 -10.589 6.898 1.00 44.21 C ATOM 1218 O PHE A 81 8.201 -10.808 7.993 1.00 4.15 O ATOM 1219 CB PHE A 81 9.719 -10.603 5.405 1.00 74.33 C ATOM 1220 CG PHE A 81 10.739 -11.257 6.295 1.00 1.20 C ATOM 1221 CD1 PHE A 81 10.998 -12.615 6.193 1.00 51.43 C ATOM 1222 CD2 PHE A 81 11.447 -10.513 7.227 1.00 72.33 C ATOM 1223 CE1 PHE A 81 11.940 -13.217 7.005 1.00 60.12 C ATOM 1224 CE2 PHE A 81 12.387 -11.110 8.042 1.00 41.21 C ATOM 1225 CZ PHE A 81 12.635 -12.464 7.930 1.00 33.01 C ATOM 0 H PHE A 81 7.562 -9.738 4.210 1.00 4.53 H new ATOM 0 HA PHE A 81 8.331 -12.209 5.656 1.00 21.34 H new ATOM 0 HB2 PHE A 81 10.009 -10.756 4.365 1.00 74.33 H new ATOM 0 HB3 PHE A 81 9.732 -9.528 5.585 1.00 74.33 H new ATOM 0 HD1 PHE A 81 10.458 -13.209 5.471 1.00 51.43 H new ATOM 0 HD2 PHE A 81 11.260 -9.453 7.316 1.00 72.33 H new ATOM 0 HE1 PHE A 81 12.132 -14.276 6.916 1.00 60.12 H new ATOM 0 HE2 PHE A 81 12.928 -10.519 8.766 1.00 41.21 H new ATOM 0 HZ PHE A 81 13.372 -12.933 8.565 1.00 33.01 H new ATOM 1235 N PHE A 82 6.568 -9.880 6.755 1.00 42.12 N ATOM 1236 CA PHE A 82 5.839 -9.353 7.894 1.00 13.41 C ATOM 1237 C PHE A 82 4.587 -10.192 8.142 1.00 31.02 C ATOM 1238 O PHE A 82 4.471 -10.852 9.178 1.00 10.12 O ATOM 1239 CB PHE A 82 5.469 -7.885 7.655 1.00 30.32 C ATOM 1240 CG PHE A 82 4.828 -7.221 8.840 1.00 24.40 C ATOM 1241 CD1 PHE A 82 5.549 -7.015 10.004 1.00 21.23 C ATOM 1242 CD2 PHE A 82 3.509 -6.804 8.788 1.00 20.42 C ATOM 1243 CE1 PHE A 82 4.965 -6.404 11.098 1.00 31.54 C ATOM 1244 CE2 PHE A 82 2.919 -6.193 9.877 1.00 44.14 C ATOM 1245 CZ PHE A 82 3.648 -5.994 11.033 1.00 61.51 C ATOM 0 H PHE A 82 6.150 -9.657 5.851 1.00 42.12 H new ATOM 0 HA PHE A 82 6.474 -9.405 8.778 1.00 13.41 H new ATOM 0 HB2 PHE A 82 6.369 -7.333 7.383 1.00 30.32 H new ATOM 0 HB3 PHE A 82 4.789 -7.825 6.805 1.00 30.32 H new ATOM 0 HD1 PHE A 82 6.579 -7.335 10.058 1.00 21.23 H new ATOM 0 HD2 PHE A 82 2.935 -6.958 7.886 1.00 20.42 H new ATOM 0 HE1 PHE A 82 5.537 -6.248 12.001 1.00 31.54 H new ATOM 0 HE2 PHE A 82 1.889 -5.871 9.825 1.00 44.14 H new ATOM 0 HZ PHE A 82 3.188 -5.518 11.886 1.00 61.51 H new ATOM 1255 N SER A 83 3.672 -10.181 7.174 1.00 70.04 N ATOM 1256 CA SER A 83 2.450 -10.978 7.242 1.00 4.34 C ATOM 1257 C SER A 83 1.654 -10.851 5.941 1.00 61.14 C ATOM 1258 O SER A 83 1.036 -9.815 5.677 1.00 14.11 O ATOM 1259 CB SER A 83 1.587 -10.552 8.435 1.00 53.32 C ATOM 1260 OG SER A 83 1.416 -9.143 8.469 1.00 74.11 O ATOM 0 H SER A 83 3.757 -9.622 6.325 1.00 70.04 H new ATOM 0 HA SER A 83 2.734 -12.022 7.378 1.00 4.34 H new ATOM 0 HB2 SER A 83 0.613 -11.038 8.374 1.00 53.32 H new ATOM 0 HB3 SER A 83 2.053 -10.887 9.362 1.00 53.32 H new ATOM 0 HG SER A 83 2.275 -8.714 8.662 1.00 74.11 H new ATOM 1266 N PRO A 84 1.682 -11.893 5.099 1.00 62.12 N ATOM 1267 CA PRO A 84 0.959 -11.919 3.831 1.00 72.42 C ATOM 1268 C PRO A 84 -0.521 -12.255 4.018 1.00 21.44 C ATOM 1269 O PRO A 84 -0.970 -13.353 3.684 1.00 61.33 O ATOM 1270 CB PRO A 84 1.664 -13.026 3.025 1.00 12.32 C ATOM 1271 CG PRO A 84 2.768 -13.542 3.900 1.00 3.41 C ATOM 1272 CD PRO A 84 2.427 -13.134 5.304 1.00 1.54 C ATOM 0 HA PRO A 84 0.975 -10.947 3.338 1.00 72.42 H new ATOM 0 HB2 PRO A 84 0.967 -13.823 2.767 1.00 12.32 H new ATOM 0 HB3 PRO A 84 2.061 -12.633 2.089 1.00 12.32 H new ATOM 0 HG2 PRO A 84 2.851 -14.626 3.821 1.00 3.41 H new ATOM 0 HG3 PRO A 84 3.729 -13.126 3.598 1.00 3.41 H new ATOM 0 HD2 PRO A 84 1.827 -13.889 5.812 1.00 1.54 H new ATOM 0 HD3 PRO A 84 3.320 -12.977 5.909 1.00 1.54 H new ATOM 1280 N PHE A 85 -1.261 -11.308 4.579 1.00 21.52 N ATOM 1281 CA PHE A 85 -2.692 -11.475 4.807 1.00 0.21 C ATOM 1282 C PHE A 85 -3.456 -11.563 3.484 1.00 1.21 C ATOM 1283 O PHE A 85 -4.073 -12.582 3.184 1.00 64.45 O ATOM 1284 CB PHE A 85 -3.223 -10.310 5.653 1.00 31.14 C ATOM 1285 CG PHE A 85 -4.718 -10.309 5.834 1.00 60.41 C ATOM 1286 CD1 PHE A 85 -5.341 -11.270 6.614 1.00 2.43 C ATOM 1287 CD2 PHE A 85 -5.500 -9.337 5.228 1.00 13.31 C ATOM 1288 CE1 PHE A 85 -6.712 -11.266 6.785 1.00 41.03 C ATOM 1289 CE2 PHE A 85 -6.872 -9.328 5.395 1.00 42.22 C ATOM 1290 CZ PHE A 85 -7.481 -10.292 6.174 1.00 64.01 C ATOM 0 H PHE A 85 -0.891 -10.409 4.887 1.00 21.52 H new ATOM 0 HA PHE A 85 -2.848 -12.410 5.345 1.00 0.21 H new ATOM 0 HB2 PHE A 85 -2.750 -10.343 6.634 1.00 31.14 H new ATOM 0 HB3 PHE A 85 -2.924 -9.371 5.186 1.00 31.14 H new ATOM 0 HD1 PHE A 85 -4.747 -12.033 7.095 1.00 2.43 H new ATOM 0 HD2 PHE A 85 -5.031 -8.578 4.619 1.00 13.31 H new ATOM 0 HE1 PHE A 85 -7.183 -12.023 7.395 1.00 41.03 H new ATOM 0 HE2 PHE A 85 -7.469 -8.566 4.916 1.00 42.22 H new ATOM 0 HZ PHE A 85 -8.553 -10.285 6.306 1.00 64.01 H new ATOM 1300 N ASP A 86 -3.388 -10.489 2.701 1.00 44.21 N ATOM 1301 CA ASP A 86 -4.125 -10.389 1.436 1.00 62.50 C ATOM 1302 C ASP A 86 -3.870 -9.034 0.799 1.00 71.54 C ATOM 1303 O ASP A 86 -3.400 -8.937 -0.335 1.00 41.12 O ATOM 1304 CB ASP A 86 -5.633 -10.566 1.667 1.00 11.44 C ATOM 1305 CG ASP A 86 -6.465 -10.224 0.445 1.00 51.33 C ATOM 1306 OD1 ASP A 86 -6.499 -11.031 -0.508 1.00 25.20 O ATOM 1307 OD2 ASP A 86 -7.104 -9.150 0.437 1.00 75.11 O ATOM 0 H ASP A 86 -2.826 -9.667 2.920 1.00 44.21 H new ATOM 0 HA ASP A 86 -3.777 -11.181 0.773 1.00 62.50 H new ATOM 0 HB2 ASP A 86 -5.832 -11.598 1.958 1.00 11.44 H new ATOM 0 HB3 ASP A 86 -5.944 -9.935 2.499 1.00 11.44 H new ATOM 1312 N GLY A 87 -4.175 -7.993 1.551 1.00 54.21 N ATOM 1313 CA GLY A 87 -3.987 -6.645 1.075 1.00 24.31 C ATOM 1314 C GLY A 87 -4.683 -5.650 1.967 1.00 2.12 C ATOM 1315 O GLY A 87 -5.893 -5.452 1.864 1.00 50.41 O ATOM 0 H GLY A 87 -4.555 -8.061 2.495 1.00 54.21 H new ATOM 0 HA2 GLY A 87 -2.922 -6.417 1.033 1.00 24.31 H new ATOM 0 HA3 GLY A 87 -4.372 -6.558 0.059 1.00 24.31 H new ATOM 1319 N PHE A 88 -3.925 -5.041 2.864 1.00 61.34 N ATOM 1320 CA PHE A 88 -4.484 -4.101 3.822 1.00 54.04 C ATOM 1321 C PHE A 88 -4.888 -2.810 3.128 1.00 44.32 C ATOM 1322 O PHE A 88 -4.431 -2.515 2.019 1.00 4.10 O ATOM 1323 CB PHE A 88 -3.474 -3.800 4.932 1.00 64.54 C ATOM 1324 CG PHE A 88 -3.028 -5.014 5.699 1.00 32.10 C ATOM 1325 CD1 PHE A 88 -3.810 -5.533 6.717 1.00 41.31 C ATOM 1326 CD2 PHE A 88 -1.823 -5.631 5.402 1.00 11.34 C ATOM 1327 CE1 PHE A 88 -3.399 -6.646 7.426 1.00 22.14 C ATOM 1328 CE2 PHE A 88 -1.406 -6.744 6.106 1.00 71.11 C ATOM 1329 CZ PHE A 88 -2.195 -7.253 7.120 1.00 44.51 C ATOM 0 H PHE A 88 -2.918 -5.181 2.949 1.00 61.34 H new ATOM 0 HA PHE A 88 -5.370 -4.555 4.266 1.00 54.04 H new ATOM 0 HB2 PHE A 88 -2.600 -3.319 4.493 1.00 64.54 H new ATOM 0 HB3 PHE A 88 -3.916 -3.086 5.627 1.00 64.54 H new ATOM 0 HD1 PHE A 88 -4.752 -5.063 6.960 1.00 41.31 H new ATOM 0 HD2 PHE A 88 -1.203 -5.237 4.611 1.00 11.34 H new ATOM 0 HE1 PHE A 88 -4.018 -7.041 8.218 1.00 22.14 H new ATOM 0 HE2 PHE A 88 -0.465 -7.216 5.864 1.00 71.11 H new ATOM 0 HZ PHE A 88 -1.872 -8.123 7.672 1.00 44.51 H new ATOM 1339 N ARG A 89 -5.742 -2.043 3.779 1.00 5.12 N ATOM 1340 CA ARG A 89 -6.163 -0.764 3.244 1.00 64.15 C ATOM 1341 C ARG A 89 -5.163 0.304 3.653 1.00 42.12 C ATOM 1342 O ARG A 89 -5.078 0.675 4.825 1.00 32.13 O ATOM 1343 CB ARG A 89 -7.573 -0.400 3.728 1.00 60.10 C ATOM 1344 CG ARG A 89 -8.632 -1.426 3.343 1.00 15.42 C ATOM 1345 CD ARG A 89 -10.019 -1.022 3.822 1.00 30.31 C ATOM 1346 NE ARG A 89 -10.556 0.122 3.084 1.00 72.54 N ATOM 1347 CZ ARG A 89 -11.692 0.747 3.402 1.00 53.45 C ATOM 1348 NH1 ARG A 89 -12.411 0.346 4.446 1.00 24.43 N ATOM 1349 NH2 ARG A 89 -12.119 1.758 2.665 1.00 22.11 N ATOM 0 H ARG A 89 -6.157 -2.284 4.679 1.00 5.12 H new ATOM 0 HA ARG A 89 -6.197 -0.830 2.157 1.00 64.15 H new ATOM 0 HB2 ARG A 89 -7.560 -0.293 4.813 1.00 60.10 H new ATOM 0 HB3 ARG A 89 -7.851 0.570 3.315 1.00 60.10 H new ATOM 0 HG2 ARG A 89 -8.643 -1.546 2.260 1.00 15.42 H new ATOM 0 HG3 ARG A 89 -8.370 -2.395 3.768 1.00 15.42 H new ATOM 0 HD2 ARG A 89 -10.697 -1.869 3.717 1.00 30.31 H new ATOM 0 HD3 ARG A 89 -9.976 -0.778 4.883 1.00 30.31 H new ATOM 0 HE ARG A 89 -10.031 0.462 2.278 1.00 72.54 H new ATOM 0 HH11 ARG A 89 -12.096 -0.444 5.009 1.00 24.43 H new ATOM 0 HH12 ARG A 89 -13.278 0.828 4.683 1.00 24.43 H new ATOM 0 HH21 ARG A 89 -11.581 2.061 1.853 1.00 22.11 H new ATOM 0 HH22 ARG A 89 -12.987 2.235 2.908 1.00 22.11 H new ATOM 1363 N LEU A 90 -4.378 0.759 2.691 1.00 75.53 N ATOM 1364 CA LEU A 90 -3.383 1.785 2.939 1.00 73.31 C ATOM 1365 C LEU A 90 -4.068 3.131 3.097 1.00 33.53 C ATOM 1366 O LEU A 90 -4.279 3.852 2.121 1.00 44.21 O ATOM 1367 CB LEU A 90 -2.362 1.846 1.797 1.00 35.22 C ATOM 1368 CG LEU A 90 -1.613 0.542 1.505 1.00 72.42 C ATOM 1369 CD1 LEU A 90 -0.648 0.734 0.345 1.00 64.54 C ATOM 1370 CD2 LEU A 90 -0.867 0.058 2.737 1.00 50.22 C ATOM 0 H LEU A 90 -4.412 0.431 1.726 1.00 75.53 H new ATOM 0 HA LEU A 90 -2.850 1.537 3.857 1.00 73.31 H new ATOM 0 HB2 LEU A 90 -2.878 2.158 0.889 1.00 35.22 H new ATOM 0 HB3 LEU A 90 -1.630 2.620 2.030 1.00 35.22 H new ATOM 0 HG LEU A 90 -2.346 -0.217 1.230 1.00 72.42 H new ATOM 0 HD11 LEU A 90 -0.123 -0.201 0.150 1.00 64.54 H new ATOM 0 HD12 LEU A 90 -1.203 1.031 -0.545 1.00 64.54 H new ATOM 0 HD13 LEU A 90 0.075 1.510 0.598 1.00 64.54 H new ATOM 0 HD21 LEU A 90 -0.343 -0.869 2.504 1.00 50.22 H new ATOM 0 HD22 LEU A 90 -0.146 0.814 3.046 1.00 50.22 H new ATOM 0 HD23 LEU A 90 -1.576 -0.119 3.546 1.00 50.22 H new ATOM 1382 N HIS A 91 -4.456 3.449 4.320 1.00 63.02 N ATOM 1383 CA HIS A 91 -5.176 4.678 4.585 1.00 23.45 C ATOM 1384 C HIS A 91 -4.203 5.840 4.713 1.00 22.15 C ATOM 1385 O HIS A 91 -3.633 6.079 5.780 1.00 71.41 O ATOM 1386 CB HIS A 91 -6.034 4.549 5.847 1.00 40.31 C ATOM 1387 CG HIS A 91 -7.052 5.643 5.999 1.00 21.40 C ATOM 1388 ND1 HIS A 91 -7.126 6.460 7.107 1.00 3.43 N ATOM 1389 CD2 HIS A 91 -8.058 6.034 5.180 1.00 71.12 C ATOM 1390 CE1 HIS A 91 -8.132 7.305 6.962 1.00 43.32 C ATOM 1391 NE2 HIS A 91 -8.714 7.067 5.802 1.00 2.04 N ATOM 0 H HIS A 91 -4.284 2.872 5.143 1.00 63.02 H new ATOM 0 HA HIS A 91 -5.843 4.873 3.745 1.00 23.45 H new ATOM 0 HB2 HIS A 91 -6.547 3.587 5.830 1.00 40.31 H new ATOM 0 HB3 HIS A 91 -5.382 4.547 6.720 1.00 40.31 H new ATOM 0 HD2 HIS A 91 -8.299 5.611 4.216 1.00 71.12 H new ATOM 0 HE1 HIS A 91 -8.428 8.062 7.673 1.00 43.32 H new ATOM 0 HE2 HIS A 91 -9.520 7.569 5.428 1.00 2.04 H new ATOM 1400 N ILE A 92 -4.002 6.538 3.608 1.00 32.21 N ATOM 1401 CA ILE A 92 -3.119 7.689 3.571 1.00 61.03 C ATOM 1402 C ILE A 92 -3.785 8.868 4.260 1.00 42.55 C ATOM 1403 O ILE A 92 -4.841 9.335 3.830 1.00 42.00 O ATOM 1404 CB ILE A 92 -2.760 8.081 2.120 1.00 22.01 C ATOM 1405 CG1 ILE A 92 -2.142 6.891 1.375 1.00 73.01 C ATOM 1406 CG2 ILE A 92 -1.806 9.270 2.106 1.00 60.12 C ATOM 1407 CD1 ILE A 92 -0.847 6.398 1.980 1.00 75.15 C ATOM 0 H ILE A 92 -4.445 6.323 2.715 1.00 32.21 H new ATOM 0 HA ILE A 92 -2.199 7.422 4.091 1.00 61.03 H new ATOM 0 HB ILE A 92 -3.678 8.369 1.608 1.00 22.01 H new ATOM 0 HG12 ILE A 92 -2.860 6.071 1.360 1.00 73.01 H new ATOM 0 HG13 ILE A 92 -1.962 7.177 0.339 1.00 73.01 H new ATOM 0 HG21 ILE A 92 -1.565 9.531 1.076 1.00 60.12 H new ATOM 0 HG22 ILE A 92 -2.279 10.122 2.595 1.00 60.12 H new ATOM 0 HG23 ILE A 92 -0.891 9.009 2.638 1.00 60.12 H new ATOM 0 HD11 ILE A 92 -0.471 5.556 1.399 1.00 75.15 H new ATOM 0 HD12 ILE A 92 -0.112 7.202 1.971 1.00 75.15 H new ATOM 0 HD13 ILE A 92 -1.023 6.080 3.007 1.00 75.15 H new ATOM 1419 N ILE A 93 -3.182 9.326 5.340 1.00 72.21 N ATOM 1420 CA ILE A 93 -3.721 10.441 6.086 1.00 51.03 C ATOM 1421 C ILE A 93 -3.336 11.752 5.421 1.00 62.10 C ATOM 1422 O ILE A 93 -2.171 12.162 5.455 1.00 5.32 O ATOM 1423 CB ILE A 93 -3.226 10.446 7.550 1.00 33.34 C ATOM 1424 CG1 ILE A 93 -3.653 9.163 8.268 1.00 34.21 C ATOM 1425 CG2 ILE A 93 -3.750 11.669 8.293 1.00 5.31 C ATOM 1426 CD1 ILE A 93 -5.154 8.993 8.380 1.00 14.44 C ATOM 0 H ILE A 93 -2.317 8.941 5.719 1.00 72.21 H new ATOM 0 HA ILE A 93 -4.806 10.332 6.093 1.00 51.03 H new ATOM 0 HB ILE A 93 -2.137 10.491 7.539 1.00 33.34 H new ATOM 0 HG12 ILE A 93 -3.239 8.306 7.737 1.00 34.21 H new ATOM 0 HG13 ILE A 93 -3.221 9.157 9.269 1.00 34.21 H new ATOM 0 HG21 ILE A 93 -3.389 11.652 9.321 1.00 5.31 H new ATOM 0 HG22 ILE A 93 -3.396 12.574 7.799 1.00 5.31 H new ATOM 0 HG23 ILE A 93 -4.840 11.657 8.291 1.00 5.31 H new ATOM 0 HD11 ILE A 93 -5.377 8.061 8.900 1.00 14.44 H new ATOM 0 HD12 ILE A 93 -5.574 9.830 8.938 1.00 14.44 H new ATOM 0 HD13 ILE A 93 -5.592 8.965 7.382 1.00 14.44 H new ATOM 1438 N ASP A 94 -4.310 12.387 4.788 1.00 62.51 N ATOM 1439 CA ASP A 94 -4.124 13.718 4.233 1.00 33.04 C ATOM 1440 C ASP A 94 -4.065 14.730 5.370 1.00 55.45 C ATOM 1441 O ASP A 94 -4.981 15.534 5.555 1.00 40.31 O ATOM 1442 CB ASP A 94 -5.260 14.078 3.267 1.00 21.11 C ATOM 1443 CG ASP A 94 -5.392 13.102 2.113 1.00 32.03 C ATOM 1444 OD1 ASP A 94 -4.754 13.325 1.062 1.00 54.03 O ATOM 1445 OD2 ASP A 94 -6.151 12.112 2.251 1.00 32.31 O ATOM 0 H ASP A 94 -5.243 11.999 4.645 1.00 62.51 H new ATOM 0 HA ASP A 94 -3.190 13.736 3.672 1.00 33.04 H new ATOM 0 HB2 ASP A 94 -6.200 14.110 3.817 1.00 21.11 H new ATOM 0 HB3 ASP A 94 -5.088 15.079 2.871 1.00 21.11 H new ATOM 1450 N LEU A 95 -3.001 14.647 6.158 1.00 12.43 N ATOM 1451 CA LEU A 95 -2.847 15.479 7.341 1.00 15.44 C ATOM 1452 C LEU A 95 -2.458 16.895 6.954 1.00 75.14 C ATOM 1453 O LEU A 95 -2.993 17.865 7.494 1.00 24.15 O ATOM 1454 CB LEU A 95 -1.788 14.876 8.267 1.00 23.01 C ATOM 1455 CG LEU A 95 -1.580 15.611 9.591 1.00 62.51 C ATOM 1456 CD1 LEU A 95 -2.849 15.571 10.430 1.00 53.34 C ATOM 1457 CD2 LEU A 95 -0.413 15.002 10.349 1.00 32.51 C ATOM 0 H LEU A 95 -2.225 14.005 5.995 1.00 12.43 H new ATOM 0 HA LEU A 95 -3.801 15.517 7.866 1.00 15.44 H new ATOM 0 HB2 LEU A 95 -2.064 13.844 8.483 1.00 23.01 H new ATOM 0 HB3 LEU A 95 -0.838 14.847 7.734 1.00 23.01 H new ATOM 0 HG LEU A 95 -1.348 16.655 9.379 1.00 62.51 H new ATOM 0 HD11 LEU A 95 -2.681 16.099 11.369 1.00 53.34 H new ATOM 0 HD12 LEU A 95 -3.661 16.050 9.884 1.00 53.34 H new ATOM 0 HD13 LEU A 95 -3.114 14.535 10.639 1.00 53.34 H new ATOM 0 HD21 LEU A 95 -0.274 15.533 11.291 1.00 32.51 H new ATOM 0 HD22 LEU A 95 -0.620 13.951 10.552 1.00 32.51 H new ATOM 0 HD23 LEU A 95 0.493 15.084 9.749 1.00 32.51 H new ATOM 1469 N ASP A 96 -1.534 17.008 6.011 1.00 51.50 N ATOM 1470 CA ASP A 96 -1.074 18.308 5.547 1.00 71.31 C ATOM 1471 C ASP A 96 -2.039 18.849 4.496 1.00 22.43 C ATOM 1472 O ASP A 96 -2.197 18.259 3.425 1.00 44.52 O ATOM 1473 CB ASP A 96 0.338 18.202 4.969 1.00 13.31 C ATOM 1474 CG ASP A 96 0.972 19.560 4.740 1.00 62.54 C ATOM 1475 OD1 ASP A 96 0.797 20.130 3.645 1.00 3.41 O ATOM 1476 OD2 ASP A 96 1.663 20.058 5.654 1.00 33.01 O ATOM 0 H ASP A 96 -1.088 16.214 5.552 1.00 51.50 H new ATOM 0 HA ASP A 96 -1.045 18.996 6.392 1.00 71.31 H new ATOM 0 HB2 ASP A 96 0.963 17.622 5.648 1.00 13.31 H new ATOM 0 HB3 ASP A 96 0.302 17.657 4.026 1.00 13.31 H new ATOM 1481 N PRO A 97 -2.718 19.965 4.810 1.00 43.22 N ATOM 1482 CA PRO A 97 -3.741 20.548 3.948 1.00 23.30 C ATOM 1483 C PRO A 97 -3.145 21.327 2.781 1.00 41.23 C ATOM 1484 O PRO A 97 -2.977 20.736 1.692 1.00 38.57 O ATOM 1485 CB PRO A 97 -4.518 21.494 4.884 1.00 64.22 C ATOM 1486 CG PRO A 97 -3.919 21.319 6.245 1.00 72.11 C ATOM 1487 CD PRO A 97 -2.546 20.756 6.031 1.00 72.15 C ATOM 1488 OXT PRO A 97 -2.862 22.534 2.946 1.00 38.57 O ATOM 0 HA PRO A 97 -4.364 19.780 3.490 1.00 23.30 H new ATOM 0 HB2 PRO A 97 -4.432 22.528 4.551 1.00 64.22 H new ATOM 0 HB3 PRO A 97 -5.580 21.249 4.891 1.00 64.22 H new ATOM 0 HG2 PRO A 97 -3.871 22.271 6.774 1.00 72.11 H new ATOM 0 HG3 PRO A 97 -4.525 20.647 6.853 1.00 72.11 H new ATOM 0 HD2 PRO A 97 -1.800 21.541 5.905 1.00 72.15 H new ATOM 0 HD3 PRO A 97 -2.223 20.141 6.871 1.00 72.15 H new TER 1496 PRO A 97