USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 877 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 5 MET CE :methyl -170:sc= -4.76 (180deg=-3.54) USER MOD Set 1.2: A 90 SER OG : rot -148:sc= -1.34 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.716 K(o=-0.72,f=-3.1!) USER MOD Single : A 11 CYS SG : rot -55:sc= 0.738 USER MOD Single : A 16 ASN : amide:sc= -0.0062 X(o=-0.0062,f=-0.14) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot -46:sc= 1.2 USER MOD Single : A 25 LYS NZ :NH3+ 147:sc= -0.141 (180deg=-1.59!) USER MOD Single : A 30 LYS NZ :NH3+ 167:sc= 0.0247 (180deg=-0.277) USER MOD Single : A 33 ASN : amide:sc= -0.554 K(o=-0.55,f=0.011) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.438 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 148:sc= -0.973 (180deg=-3.03!) USER MOD Single : A 45 ASN : amide:sc= 0.396 K(o=0.4,f=-2.8!) USER MOD Single : A 56 ASN : amide:sc= -0.418 K(o=-0.42,f=-1.5) USER MOD Single : A 58 CYS SG : rot 180:sc= -0.347 USER MOD Single : A 63 TYR OH : rot 94:sc= 1.12 USER MOD Single : A 65 CYS SG : rot 36:sc= 0.541 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 CYS SG : rot 160:sc= 0.0275 USER MOD Single : A 78 ASN : amide:sc= -0.385 K(o=-0.39,f=-1.5) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 80:sc= 1.25 USER MOD Single : A 87 TYR OH : rot -32:sc= 0.0885 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -144:sc= -0.315 (180deg=-0.715) USER MOD Single : A 102 THR OG1 : rot 180:sc= -2.94! USER MOD Single : A 109 HIS : no HD1:sc= -1.51 X(o=-1.5,f=-1.5) USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 2.979 -1.832 -0.263 1.00 54.13 N ATOM 19 CA ALA A 2 3.898 -2.856 -0.742 1.00 64.23 C ATOM 20 C ALA A 2 3.721 -4.159 0.031 1.00 55.44 C ATOM 21 O ALA A 2 3.961 -4.214 1.237 1.00 52.54 O ATOM 22 CB ALA A 2 5.335 -2.368 -0.634 1.00 3.22 C ATOM 0 HA ALA A 2 3.670 -3.052 -1.790 1.00 64.23 H new ATOM 0 HB1 ALA A 2 6.011 -3.143 -0.995 1.00 3.22 H new ATOM 0 HB2 ALA A 2 5.460 -1.468 -1.236 1.00 3.22 H new ATOM 0 HB3 ALA A 2 5.565 -2.142 0.407 1.00 3.22 H new ATOM 28 N SER A 3 3.297 -5.205 -0.671 1.00 45.04 N ATOM 29 CA SER A 3 3.083 -6.506 -0.050 1.00 20.43 C ATOM 30 C SER A 3 1.926 -6.450 0.943 1.00 2.05 C ATOM 31 O SER A 3 1.760 -5.467 1.664 1.00 34.25 O ATOM 32 CB SER A 3 4.356 -6.973 0.659 1.00 42.30 C ATOM 33 OG SER A 3 4.404 -8.386 0.744 1.00 33.44 O ATOM 0 H SER A 3 3.095 -5.176 -1.670 1.00 45.04 H new ATOM 0 HA SER A 3 2.831 -7.219 -0.836 1.00 20.43 H new ATOM 0 HB2 SER A 3 5.231 -6.608 0.120 1.00 42.30 H new ATOM 0 HB3 SER A 3 4.396 -6.544 1.660 1.00 42.30 H new ATOM 0 HG SER A 3 5.228 -8.659 1.200 1.00 33.44 H new ATOM 39 N GLY A 4 1.129 -7.513 0.975 1.00 75.45 N ATOM 40 CA GLY A 4 -0.003 -7.566 1.882 1.00 41.32 C ATOM 41 C GLY A 4 -0.884 -6.337 1.781 1.00 12.50 C ATOM 42 O GLY A 4 -1.269 -5.756 2.795 1.00 1.25 O ATOM 0 H GLY A 4 1.247 -8.339 0.389 1.00 75.45 H new ATOM 0 HA2 GLY A 4 -0.597 -8.454 1.665 1.00 41.32 H new ATOM 0 HA3 GLY A 4 0.359 -7.667 2.905 1.00 41.32 H new ATOM 46 N MET A 5 -1.203 -5.938 0.554 1.00 74.20 N ATOM 47 CA MET A 5 -2.045 -4.769 0.325 1.00 23.20 C ATOM 48 C MET A 5 -3.358 -4.886 1.092 1.00 11.00 C ATOM 49 O MET A 5 -3.828 -5.988 1.373 1.00 1.44 O ATOM 50 CB MET A 5 -2.326 -4.602 -1.169 1.00 55.23 C ATOM 51 CG MET A 5 -3.134 -3.357 -1.500 1.00 31.12 C ATOM 52 SD MET A 5 -2.305 -1.837 -0.997 1.00 21.25 S ATOM 53 CE MET A 5 -0.795 -1.943 -1.954 1.00 3.53 C ATOM 0 H MET A 5 -0.891 -6.407 -0.297 1.00 74.20 H new ATOM 0 HA MET A 5 -1.511 -3.891 0.687 1.00 23.20 H new ATOM 0 HB2 MET A 5 -1.379 -4.564 -1.707 1.00 55.23 H new ATOM 0 HB3 MET A 5 -2.862 -5.480 -1.530 1.00 55.23 H new ATOM 0 HG2 MET A 5 -3.322 -3.326 -2.573 1.00 31.12 H new ATOM 0 HG3 MET A 5 -4.105 -3.417 -1.008 1.00 31.12 H new ATOM 0 HE1 MET A 5 -0.100 -1.172 -1.623 1.00 3.53 H new ATOM 0 HE2 MET A 5 -0.343 -2.925 -1.812 1.00 3.53 H new ATOM 0 HE3 MET A 5 -1.023 -1.797 -3.010 1.00 3.53 H new ATOM 63 N GLY A 6 -3.946 -3.742 1.428 1.00 51.31 N ATOM 64 CA GLY A 6 -5.199 -3.739 2.160 1.00 54.53 C ATOM 65 C GLY A 6 -6.381 -4.113 1.287 1.00 11.32 C ATOM 66 O GLY A 6 -6.814 -3.326 0.445 1.00 13.02 O ATOM 0 H GLY A 6 -3.577 -2.817 1.206 1.00 51.31 H new ATOM 0 HA2 GLY A 6 -5.131 -4.438 2.993 1.00 54.53 H new ATOM 0 HA3 GLY A 6 -5.365 -2.750 2.587 1.00 54.53 H new ATOM 70 N VAL A 7 -6.904 -5.319 1.487 1.00 42.43 N ATOM 71 CA VAL A 7 -8.042 -5.796 0.711 1.00 33.22 C ATOM 72 C VAL A 7 -9.354 -5.256 1.270 1.00 4.13 C ATOM 73 O VAL A 7 -9.844 -5.728 2.296 1.00 13.21 O ATOM 74 CB VAL A 7 -8.101 -7.335 0.690 1.00 32.12 C ATOM 75 CG1 VAL A 7 -6.996 -7.900 -0.189 1.00 73.14 C ATOM 76 CG2 VAL A 7 -8.006 -7.891 2.103 1.00 3.21 C ATOM 0 H VAL A 7 -6.558 -5.983 2.180 1.00 42.43 H new ATOM 0 HA VAL A 7 -7.906 -5.431 -0.307 1.00 33.22 H new ATOM 0 HB VAL A 7 -9.059 -7.639 0.268 1.00 32.12 H new ATOM 0 HG11 VAL A 7 -7.054 -8.988 -0.191 1.00 73.14 H new ATOM 0 HG12 VAL A 7 -7.115 -7.528 -1.207 1.00 73.14 H new ATOM 0 HG13 VAL A 7 -6.027 -7.589 0.200 1.00 73.14 H new ATOM 0 HG21 VAL A 7 -8.049 -8.980 2.069 1.00 3.21 H new ATOM 0 HG22 VAL A 7 -7.064 -7.579 2.554 1.00 3.21 H new ATOM 0 HG23 VAL A 7 -8.837 -7.513 2.699 1.00 3.21 H new ATOM 86 N ASP A 8 -9.917 -4.264 0.589 1.00 24.11 N ATOM 87 CA ASP A 8 -11.173 -3.660 1.017 1.00 50.44 C ATOM 88 C ASP A 8 -12.358 -4.316 0.316 1.00 72.33 C ATOM 89 O ASP A 8 -12.188 -5.042 -0.663 1.00 65.30 O ATOM 90 CB ASP A 8 -11.164 -2.157 0.731 1.00 71.14 C ATOM 91 CG ASP A 8 -11.953 -1.368 1.757 1.00 43.30 C ATOM 92 OD1 ASP A 8 -12.606 -1.997 2.616 1.00 41.21 O ATOM 93 OD2 ASP A 8 -11.916 -0.121 1.702 1.00 51.11 O ATOM 0 H ASP A 8 -9.523 -3.861 -0.261 1.00 24.11 H new ATOM 0 HA ASP A 8 -11.276 -3.818 2.091 1.00 50.44 H new ATOM 0 HB2 ASP A 8 -10.134 -1.799 0.715 1.00 71.14 H new ATOM 0 HB3 ASP A 8 -11.580 -1.976 -0.260 1.00 71.14 H new ATOM 98 N GLU A 9 -13.559 -4.057 0.825 1.00 45.42 N ATOM 99 CA GLU A 9 -14.771 -4.625 0.248 1.00 53.40 C ATOM 100 C GLU A 9 -15.013 -4.079 -1.156 1.00 53.33 C ATOM 101 O GLU A 9 -15.831 -4.609 -1.907 1.00 65.14 O ATOM 102 CB GLU A 9 -15.977 -4.321 1.140 1.00 72.43 C ATOM 103 CG GLU A 9 -15.781 -4.732 2.589 1.00 3.34 C ATOM 104 CD GLU A 9 -17.040 -5.306 3.209 1.00 0.31 C ATOM 105 OE1 GLU A 9 -17.663 -6.187 2.581 1.00 42.43 O ATOM 106 OE2 GLU A 9 -17.402 -4.873 4.324 1.00 71.45 O ATOM 0 H GLU A 9 -13.718 -3.458 1.635 1.00 45.42 H new ATOM 0 HA GLU A 9 -14.640 -5.705 0.181 1.00 53.40 H new ATOM 0 HB2 GLU A 9 -16.188 -3.252 1.100 1.00 72.43 H new ATOM 0 HB3 GLU A 9 -16.852 -4.834 0.741 1.00 72.43 H new ATOM 0 HG2 GLU A 9 -14.982 -5.471 2.648 1.00 3.34 H new ATOM 0 HG3 GLU A 9 -15.458 -3.867 3.168 1.00 3.34 H new ATOM 113 N ASN A 10 -14.296 -3.015 -1.503 1.00 13.42 N ATOM 114 CA ASN A 10 -14.433 -2.395 -2.816 1.00 73.20 C ATOM 115 C ASN A 10 -14.033 -3.368 -3.921 1.00 23.22 C ATOM 116 O ASN A 10 -14.843 -3.713 -4.782 1.00 44.44 O ATOM 117 CB ASN A 10 -13.576 -1.131 -2.899 1.00 4.13 C ATOM 118 CG ASN A 10 -13.813 -0.194 -1.730 1.00 43.01 C ATOM 119 OD1 ASN A 10 -12.960 -0.049 -0.854 1.00 14.14 O ATOM 120 ND2 ASN A 10 -14.975 0.447 -1.713 1.00 14.25 N ATOM 0 H ASN A 10 -13.614 -2.564 -0.893 1.00 13.42 H new ATOM 0 HA ASN A 10 -15.480 -2.125 -2.955 1.00 73.20 H new ATOM 0 HB2 ASN A 10 -12.523 -1.411 -2.929 1.00 4.13 H new ATOM 0 HB3 ASN A 10 -13.794 -0.608 -3.830 1.00 4.13 H new ATOM 0 HD21 ASN A 10 -15.191 1.091 -0.952 1.00 14.25 H new ATOM 0 HD22 ASN A 10 -15.652 0.296 -2.461 1.00 14.25 H new ATOM 127 N CYS A 11 -12.780 -3.808 -3.889 1.00 4.54 N ATOM 128 CA CYS A 11 -12.271 -4.741 -4.887 1.00 63.12 C ATOM 129 C CYS A 11 -13.248 -5.892 -5.103 1.00 41.04 C ATOM 130 O CYS A 11 -13.314 -6.469 -6.189 1.00 23.01 O ATOM 131 CB CYS A 11 -10.908 -5.287 -4.458 1.00 11.21 C ATOM 132 SG CYS A 11 -10.985 -6.480 -3.102 1.00 62.50 S ATOM 0 H CYS A 11 -12.098 -3.533 -3.182 1.00 4.54 H new ATOM 0 HA CYS A 11 -12.158 -4.202 -5.828 1.00 63.12 H new ATOM 0 HB2 CYS A 11 -10.431 -5.759 -5.317 1.00 11.21 H new ATOM 0 HB3 CYS A 11 -10.272 -4.454 -4.159 1.00 11.21 H new ATOM 0 HG CYS A 11 -11.603 -5.947 -2.090 1.00 62.50 H new ATOM 138 N VAL A 12 -14.005 -6.222 -4.062 1.00 30.21 N ATOM 139 CA VAL A 12 -14.979 -7.305 -4.137 1.00 43.21 C ATOM 140 C VAL A 12 -16.183 -6.903 -4.981 1.00 31.00 C ATOM 141 O VAL A 12 -16.569 -7.614 -5.908 1.00 72.02 O ATOM 142 CB VAL A 12 -15.464 -7.722 -2.736 1.00 64.00 C ATOM 143 CG1 VAL A 12 -16.507 -8.824 -2.838 1.00 70.11 C ATOM 144 CG2 VAL A 12 -14.289 -8.166 -1.877 1.00 35.13 C ATOM 0 H VAL A 12 -13.963 -5.755 -3.156 1.00 30.21 H new ATOM 0 HA VAL A 12 -14.476 -8.151 -4.606 1.00 43.21 H new ATOM 0 HB VAL A 12 -15.928 -6.859 -2.259 1.00 64.00 H new ATOM 0 HG11 VAL A 12 -16.838 -9.106 -1.838 1.00 70.11 H new ATOM 0 HG12 VAL A 12 -17.360 -8.466 -3.415 1.00 70.11 H new ATOM 0 HG13 VAL A 12 -16.072 -9.692 -3.334 1.00 70.11 H new ATOM 0 HG21 VAL A 12 -14.649 -8.457 -0.890 1.00 35.13 H new ATOM 0 HG22 VAL A 12 -13.794 -9.015 -2.348 1.00 35.13 H new ATOM 0 HG23 VAL A 12 -13.581 -7.344 -1.776 1.00 35.13 H new ATOM 154 N ALA A 13 -16.773 -5.758 -4.653 1.00 42.02 N ATOM 155 CA ALA A 13 -17.932 -5.260 -5.383 1.00 12.44 C ATOM 156 C ALA A 13 -17.671 -5.244 -6.885 1.00 4.22 C ATOM 157 O ALA A 13 -18.595 -5.379 -7.687 1.00 2.12 O ATOM 158 CB ALA A 13 -18.304 -3.867 -4.895 1.00 20.10 C ATOM 0 H ALA A 13 -16.467 -5.158 -3.887 1.00 42.02 H new ATOM 0 HA ALA A 13 -18.767 -5.935 -5.194 1.00 12.44 H new ATOM 0 HB1 ALA A 13 -19.171 -3.507 -5.449 1.00 20.10 H new ATOM 0 HB2 ALA A 13 -18.542 -3.905 -3.832 1.00 20.10 H new ATOM 0 HB3 ALA A 13 -17.465 -3.190 -5.054 1.00 20.10 H new ATOM 164 N ARG A 14 -16.406 -5.077 -7.259 1.00 32.42 N ATOM 165 CA ARG A 14 -16.024 -5.042 -8.665 1.00 62.03 C ATOM 166 C ARG A 14 -16.076 -6.438 -9.278 1.00 61.42 C ATOM 167 O ARG A 14 -16.799 -6.677 -10.245 1.00 54.24 O ATOM 168 CB ARG A 14 -14.618 -4.458 -8.819 1.00 53.01 C ATOM 169 CG ARG A 14 -14.318 -3.330 -7.846 1.00 3.21 C ATOM 170 CD ARG A 14 -15.412 -2.274 -7.861 1.00 72.25 C ATOM 171 NE ARG A 14 -15.865 -1.936 -6.515 1.00 54.30 N ATOM 172 CZ ARG A 14 -16.977 -1.253 -6.264 1.00 22.04 C ATOM 173 NH1 ARG A 14 -17.744 -0.839 -7.262 1.00 54.30 N ATOM 174 NH2 ARG A 14 -17.323 -0.984 -5.011 1.00 45.01 N ATOM 0 H ARG A 14 -15.629 -4.964 -6.608 1.00 32.42 H new ATOM 0 HA ARG A 14 -16.735 -4.406 -9.193 1.00 62.03 H new ATOM 0 HB2 ARG A 14 -13.886 -5.253 -8.677 1.00 53.01 H new ATOM 0 HB3 ARG A 14 -14.496 -4.090 -9.838 1.00 53.01 H new ATOM 0 HG2 ARG A 14 -14.215 -3.735 -6.839 1.00 3.21 H new ATOM 0 HG3 ARG A 14 -13.364 -2.870 -8.104 1.00 3.21 H new ATOM 0 HD2 ARG A 14 -15.042 -1.376 -8.355 1.00 72.25 H new ATOM 0 HD3 ARG A 14 -16.257 -2.635 -8.448 1.00 72.25 H new ATOM 0 HE ARG A 14 -15.297 -2.241 -5.724 1.00 54.30 H new ATOM 0 HH11 ARG A 14 -17.482 -1.044 -8.226 1.00 54.30 H new ATOM 0 HH12 ARG A 14 -18.597 -0.315 -7.066 1.00 54.30 H new ATOM 0 HH21 ARG A 14 -16.735 -1.302 -4.240 1.00 45.01 H new ATOM 0 HH22 ARG A 14 -18.177 -0.460 -4.819 1.00 45.01 H new ATOM 188 N PHE A 15 -15.304 -7.358 -8.709 1.00 5.10 N ATOM 189 CA PHE A 15 -15.260 -8.730 -9.200 1.00 32.40 C ATOM 190 C PHE A 15 -16.656 -9.346 -9.216 1.00 71.44 C ATOM 191 O PHE A 15 -16.948 -10.227 -10.024 1.00 62.31 O ATOM 192 CB PHE A 15 -14.327 -9.576 -8.331 1.00 34.32 C ATOM 193 CG PHE A 15 -15.033 -10.673 -7.585 1.00 51.41 C ATOM 194 CD1 PHE A 15 -15.258 -11.902 -8.184 1.00 0.15 C ATOM 195 CD2 PHE A 15 -15.471 -10.474 -6.286 1.00 31.13 C ATOM 196 CE1 PHE A 15 -15.908 -12.912 -7.500 1.00 22.02 C ATOM 197 CE2 PHE A 15 -16.121 -11.481 -5.597 1.00 12.22 C ATOM 198 CZ PHE A 15 -16.339 -12.702 -6.205 1.00 1.35 C ATOM 0 H PHE A 15 -14.700 -7.178 -7.907 1.00 5.10 H new ATOM 0 HA PHE A 15 -14.877 -8.712 -10.220 1.00 32.40 H new ATOM 0 HB2 PHE A 15 -13.555 -10.015 -8.962 1.00 34.32 H new ATOM 0 HB3 PHE A 15 -13.822 -8.927 -7.615 1.00 34.32 H new ATOM 0 HD1 PHE A 15 -14.922 -12.073 -9.196 1.00 0.15 H new ATOM 0 HD2 PHE A 15 -15.303 -9.521 -5.806 1.00 31.13 H new ATOM 0 HE1 PHE A 15 -16.079 -13.865 -7.978 1.00 22.02 H new ATOM 0 HE2 PHE A 15 -16.458 -11.313 -4.585 1.00 12.22 H new ATOM 0 HZ PHE A 15 -16.845 -13.491 -5.669 1.00 1.35 H new ATOM 208 N ASN A 16 -17.515 -8.876 -8.318 1.00 3.15 N ATOM 209 CA ASN A 16 -18.880 -9.381 -8.227 1.00 40.32 C ATOM 210 C ASN A 16 -19.765 -8.750 -9.298 1.00 12.55 C ATOM 211 O ASN A 16 -20.818 -9.286 -9.641 1.00 11.21 O ATOM 212 CB ASN A 16 -19.459 -9.099 -6.839 1.00 71.23 C ATOM 213 CG ASN A 16 -20.785 -9.799 -6.613 1.00 74.24 C ATOM 214 OD1 ASN A 16 -20.919 -10.997 -6.866 1.00 41.42 O ATOM 215 ND2 ASN A 16 -21.774 -9.053 -6.135 1.00 52.23 N ATOM 0 H ASN A 16 -17.290 -8.146 -7.642 1.00 3.15 H new ATOM 0 HA ASN A 16 -18.855 -10.458 -8.390 1.00 40.32 H new ATOM 0 HB2 ASN A 16 -18.747 -9.421 -6.079 1.00 71.23 H new ATOM 0 HB3 ASN A 16 -19.593 -8.024 -6.716 1.00 71.23 H new ATOM 0 HD21 ASN A 16 -22.689 -9.469 -5.963 1.00 52.23 H new ATOM 0 HD22 ASN A 16 -21.618 -8.064 -5.940 1.00 52.23 H new ATOM 222 N GLU A 17 -19.329 -7.608 -9.821 1.00 14.34 N ATOM 223 CA GLU A 17 -20.083 -6.904 -10.852 1.00 2.13 C ATOM 224 C GLU A 17 -19.886 -7.562 -12.214 1.00 42.03 C ATOM 225 O GLU A 17 -20.825 -7.677 -13.003 1.00 33.34 O ATOM 226 CB GLU A 17 -19.655 -5.436 -10.915 1.00 63.23 C ATOM 227 CG GLU A 17 -20.319 -4.562 -9.865 1.00 31.32 C ATOM 228 CD GLU A 17 -21.653 -4.008 -10.326 1.00 31.11 C ATOM 229 OE1 GLU A 17 -22.493 -4.802 -10.800 1.00 43.11 O ATOM 230 OE2 GLU A 17 -21.858 -2.781 -10.213 1.00 64.50 O ATOM 0 H GLU A 17 -18.459 -7.151 -9.548 1.00 14.34 H new ATOM 0 HA GLU A 17 -21.140 -6.956 -10.593 1.00 2.13 H new ATOM 0 HB2 GLU A 17 -18.573 -5.376 -10.794 1.00 63.23 H new ATOM 0 HB3 GLU A 17 -19.887 -5.041 -11.904 1.00 63.23 H new ATOM 0 HG2 GLU A 17 -20.466 -5.143 -8.954 1.00 31.32 H new ATOM 0 HG3 GLU A 17 -19.654 -3.736 -9.612 1.00 31.32 H new ATOM 237 N LEU A 18 -18.658 -7.992 -12.485 1.00 53.51 N ATOM 238 CA LEU A 18 -18.336 -8.638 -13.753 1.00 31.04 C ATOM 239 C LEU A 18 -18.661 -10.128 -13.702 1.00 43.50 C ATOM 240 O LEU A 18 -19.041 -10.726 -14.709 1.00 12.14 O ATOM 241 CB LEU A 18 -16.857 -8.438 -14.088 1.00 53.24 C ATOM 242 CG LEU A 18 -15.857 -9.057 -13.111 1.00 53.31 C ATOM 243 CD1 LEU A 18 -15.178 -10.265 -13.736 1.00 61.24 C ATOM 244 CD2 LEU A 18 -14.824 -8.025 -12.680 1.00 74.45 C ATOM 0 H LEU A 18 -17.869 -7.905 -11.844 1.00 53.51 H new ATOM 0 HA LEU A 18 -18.944 -8.179 -14.532 1.00 31.04 H new ATOM 0 HB2 LEU A 18 -16.670 -8.853 -15.079 1.00 53.24 H new ATOM 0 HB3 LEU A 18 -16.660 -7.368 -14.148 1.00 53.24 H new ATOM 0 HG LEU A 18 -16.400 -9.389 -12.226 1.00 53.31 H new ATOM 0 HD11 LEU A 18 -14.470 -10.692 -13.026 1.00 61.24 H new ATOM 0 HD12 LEU A 18 -15.929 -11.012 -13.993 1.00 61.24 H new ATOM 0 HD13 LEU A 18 -14.648 -9.958 -14.637 1.00 61.24 H new ATOM 0 HD21 LEU A 18 -14.120 -8.483 -11.985 1.00 74.45 H new ATOM 0 HD22 LEU A 18 -14.285 -7.662 -13.555 1.00 74.45 H new ATOM 0 HD23 LEU A 18 -15.326 -7.190 -12.191 1.00 74.45 H new ATOM 256 N LYS A 19 -18.510 -10.721 -12.523 1.00 1.12 N ATOM 257 CA LYS A 19 -18.790 -12.140 -12.338 1.00 50.14 C ATOM 258 C LYS A 19 -20.283 -12.422 -12.475 1.00 63.23 C ATOM 259 O LYS A 19 -20.685 -13.540 -12.799 1.00 52.15 O ATOM 260 CB LYS A 19 -18.296 -12.604 -10.966 1.00 71.23 C ATOM 261 CG LYS A 19 -18.447 -14.098 -10.739 1.00 73.41 C ATOM 262 CD LYS A 19 -19.164 -14.394 -9.432 1.00 70.03 C ATOM 263 CE LYS A 19 -18.541 -15.579 -8.711 1.00 1.05 C ATOM 264 NZ LYS A 19 -19.016 -15.683 -7.303 1.00 22.30 N ATOM 0 H LYS A 19 -18.195 -10.240 -11.680 1.00 1.12 H new ATOM 0 HA LYS A 19 -18.261 -12.693 -13.114 1.00 50.14 H new ATOM 0 HB2 LYS A 19 -17.246 -12.333 -10.856 1.00 71.23 H new ATOM 0 HB3 LYS A 19 -18.846 -12.070 -10.191 1.00 71.23 H new ATOM 0 HG2 LYS A 19 -19.002 -14.539 -11.567 1.00 73.41 H new ATOM 0 HG3 LYS A 19 -17.463 -14.567 -10.729 1.00 73.41 H new ATOM 0 HD2 LYS A 19 -19.127 -13.515 -8.789 1.00 70.03 H new ATOM 0 HD3 LYS A 19 -20.216 -14.600 -9.631 1.00 70.03 H new ATOM 0 HE2 LYS A 19 -18.784 -16.498 -9.245 1.00 1.05 H new ATOM 0 HE3 LYS A 19 -17.455 -15.481 -8.722 1.00 1.05 H new ATOM 0 HZ1 LYS A 19 -18.569 -16.503 -6.845 1.00 22.30 H new ATOM 0 HZ2 LYS A 19 -18.762 -14.817 -6.786 1.00 22.30 H new ATOM 0 HZ3 LYS A 19 -20.049 -15.802 -7.293 1.00 22.30 H new ATOM 278 N ILE A 20 -21.098 -11.403 -12.228 1.00 11.41 N ATOM 279 CA ILE A 20 -22.546 -11.542 -12.326 1.00 43.45 C ATOM 280 C ILE A 20 -23.057 -11.027 -13.668 1.00 33.03 C ATOM 281 O ILE A 20 -24.097 -11.468 -14.158 1.00 31.05 O ATOM 282 CB ILE A 20 -23.262 -10.785 -11.192 1.00 74.52 C ATOM 283 CG1 ILE A 20 -24.738 -11.187 -11.135 1.00 42.50 C ATOM 284 CG2 ILE A 20 -23.123 -9.283 -11.387 1.00 14.02 C ATOM 285 CD1 ILE A 20 -25.376 -10.951 -9.784 1.00 31.30 C ATOM 0 H ILE A 20 -20.781 -10.472 -11.958 1.00 11.41 H new ATOM 0 HA ILE A 20 -22.768 -12.605 -12.238 1.00 43.45 H new ATOM 0 HB ILE A 20 -22.795 -11.052 -10.244 1.00 74.52 H new ATOM 0 HG12 ILE A 20 -25.288 -10.627 -11.891 1.00 42.50 H new ATOM 0 HG13 ILE A 20 -24.829 -12.242 -11.392 1.00 42.50 H new ATOM 0 HG21 ILE A 20 -23.634 -8.762 -10.577 1.00 14.02 H new ATOM 0 HG22 ILE A 20 -22.067 -9.012 -11.383 1.00 14.02 H new ATOM 0 HG23 ILE A 20 -23.568 -8.997 -12.340 1.00 14.02 H new ATOM 0 HD11 ILE A 20 -26.421 -11.258 -9.817 1.00 31.30 H new ATOM 0 HD12 ILE A 20 -24.850 -11.533 -9.027 1.00 31.30 H new ATOM 0 HD13 ILE A 20 -25.317 -9.892 -9.534 1.00 31.30 H new ATOM 297 N ARG A 21 -22.319 -10.093 -14.258 1.00 3.24 N ATOM 298 CA ARG A 21 -22.697 -9.518 -15.543 1.00 71.40 C ATOM 299 C ARG A 21 -22.217 -10.398 -16.694 1.00 12.11 C ATOM 300 O ARG A 21 -22.913 -10.562 -17.696 1.00 71.32 O ATOM 301 CB ARG A 21 -22.117 -8.110 -15.687 1.00 60.20 C ATOM 302 CG ARG A 21 -22.898 -7.049 -14.929 1.00 72.23 C ATOM 303 CD ARG A 21 -24.316 -6.914 -15.463 1.00 44.52 C ATOM 304 NE ARG A 21 -25.272 -7.691 -14.680 1.00 72.23 N ATOM 305 CZ ARG A 21 -26.582 -7.683 -14.902 1.00 0.14 C ATOM 306 NH1 ARG A 21 -27.088 -6.942 -15.877 1.00 51.35 N ATOM 307 NH2 ARG A 21 -27.388 -8.418 -14.146 1.00 54.33 N ATOM 0 H ARG A 21 -21.455 -9.718 -13.866 1.00 3.24 H new ATOM 0 HA ARG A 21 -23.785 -9.460 -15.581 1.00 71.40 H new ATOM 0 HB2 ARG A 21 -21.086 -8.113 -15.333 1.00 60.20 H new ATOM 0 HB3 ARG A 21 -22.090 -7.844 -16.744 1.00 60.20 H new ATOM 0 HG2 ARG A 21 -22.930 -7.306 -13.870 1.00 72.23 H new ATOM 0 HG3 ARG A 21 -22.385 -6.091 -15.009 1.00 72.23 H new ATOM 0 HD2 ARG A 21 -24.608 -5.864 -15.454 1.00 44.52 H new ATOM 0 HD3 ARG A 21 -24.345 -7.244 -16.502 1.00 44.52 H new ATOM 0 HE ARG A 21 -24.915 -8.272 -13.921 1.00 72.23 H new ATOM 0 HH11 ARG A 21 -26.471 -6.376 -16.460 1.00 51.35 H new ATOM 0 HH12 ARG A 21 -28.094 -6.938 -16.045 1.00 51.35 H new ATOM 0 HH21 ARG A 21 -27.002 -8.989 -13.394 1.00 54.33 H new ATOM 0 HH22 ARG A 21 -28.394 -8.412 -14.317 1.00 54.33 H new ATOM 321 N LYS A 22 -21.023 -10.961 -16.543 1.00 52.03 N ATOM 322 CA LYS A 22 -20.449 -11.824 -17.568 1.00 71.54 C ATOM 323 C LYS A 22 -20.336 -11.088 -18.899 1.00 42.13 C ATOM 324 O LYS A 22 -20.145 -11.704 -19.948 1.00 74.42 O ATOM 325 CB LYS A 22 -21.303 -13.083 -17.741 1.00 3.11 C ATOM 326 CG LYS A 22 -20.741 -14.301 -17.028 1.00 14.00 C ATOM 327 CD LYS A 22 -20.491 -15.447 -17.994 1.00 53.43 C ATOM 328 CE LYS A 22 -20.262 -16.757 -17.257 1.00 74.44 C ATOM 329 NZ LYS A 22 -18.819 -17.117 -17.201 1.00 65.41 N ATOM 0 H LYS A 22 -20.434 -10.835 -15.720 1.00 52.03 H new ATOM 0 HA LYS A 22 -19.448 -12.112 -17.246 1.00 71.54 H new ATOM 0 HB2 LYS A 22 -22.308 -12.885 -17.367 1.00 3.11 H new ATOM 0 HB3 LYS A 22 -21.396 -13.305 -18.804 1.00 3.11 H new ATOM 0 HG2 LYS A 22 -19.809 -14.034 -16.530 1.00 14.00 H new ATOM 0 HG3 LYS A 22 -21.436 -14.623 -16.253 1.00 14.00 H new ATOM 0 HD2 LYS A 22 -21.343 -15.550 -18.666 1.00 53.43 H new ATOM 0 HD3 LYS A 22 -19.623 -15.220 -18.613 1.00 53.43 H new ATOM 0 HE2 LYS A 22 -20.656 -16.677 -16.244 1.00 74.44 H new ATOM 0 HE3 LYS A 22 -20.816 -17.554 -17.753 1.00 74.44 H new ATOM 0 HZ1 LYS A 22 -18.705 -18.016 -16.691 1.00 65.41 H new ATOM 0 HZ2 LYS A 22 -18.449 -17.218 -18.168 1.00 65.41 H new ATOM 0 HZ3 LYS A 22 -18.293 -16.369 -16.706 1.00 65.41 H new ATOM 343 N THR A 23 -20.453 -9.764 -18.850 1.00 63.50 N ATOM 344 CA THR A 23 -20.363 -8.944 -20.051 1.00 71.12 C ATOM 345 C THR A 23 -19.367 -7.805 -19.866 1.00 64.43 C ATOM 346 O THR A 23 -19.421 -6.799 -20.573 1.00 1.44 O ATOM 347 CB THR A 23 -21.734 -8.354 -20.432 1.00 71.45 C ATOM 348 OG1 THR A 23 -21.628 -7.619 -21.657 1.00 20.52 O ATOM 349 CG2 THR A 23 -22.256 -7.443 -19.332 1.00 33.42 C ATOM 0 H THR A 23 -20.610 -9.237 -17.991 1.00 63.50 H new ATOM 0 HA THR A 23 -20.020 -9.596 -20.854 1.00 71.12 H new ATOM 0 HB THR A 23 -22.435 -9.178 -20.563 1.00 71.45 H new ATOM 0 HG1 THR A 23 -20.835 -7.044 -21.626 1.00 20.52 H new ATOM 0 HG21 THR A 23 -23.225 -7.038 -19.624 1.00 33.42 H new ATOM 0 HG22 THR A 23 -22.364 -8.012 -18.409 1.00 33.42 H new ATOM 0 HG23 THR A 23 -21.554 -6.624 -19.174 1.00 33.42 H new ATOM 357 N VAL A 24 -18.456 -7.971 -18.912 1.00 61.12 N ATOM 358 CA VAL A 24 -17.445 -6.957 -18.636 1.00 32.34 C ATOM 359 C VAL A 24 -18.082 -5.676 -18.110 1.00 1.14 C ATOM 360 O VAL A 24 -18.584 -4.857 -18.880 1.00 35.33 O ATOM 361 CB VAL A 24 -16.621 -6.629 -19.894 1.00 43.34 C ATOM 362 CG1 VAL A 24 -15.917 -5.289 -19.738 1.00 33.25 C ATOM 363 CG2 VAL A 24 -15.618 -7.737 -20.178 1.00 41.22 C ATOM 0 H VAL A 24 -18.397 -8.798 -18.318 1.00 61.12 H new ATOM 0 HA VAL A 24 -16.782 -7.369 -17.875 1.00 32.34 H new ATOM 0 HB VAL A 24 -17.301 -6.559 -20.743 1.00 43.34 H new ATOM 0 HG11 VAL A 24 -15.340 -5.074 -20.637 1.00 33.25 H new ATOM 0 HG12 VAL A 24 -16.658 -4.504 -19.587 1.00 33.25 H new ATOM 0 HG13 VAL A 24 -15.248 -5.327 -18.878 1.00 33.25 H new ATOM 0 HG21 VAL A 24 -15.044 -7.488 -21.071 1.00 41.22 H new ATOM 0 HG22 VAL A 24 -14.942 -7.842 -19.330 1.00 41.22 H new ATOM 0 HG23 VAL A 24 -16.148 -8.676 -20.337 1.00 41.22 H new ATOM 373 N LYS A 25 -18.057 -5.507 -16.792 1.00 21.11 N ATOM 374 CA LYS A 25 -18.630 -4.324 -16.160 1.00 63.25 C ATOM 375 C LYS A 25 -17.620 -3.181 -16.129 1.00 71.34 C ATOM 376 O LYS A 25 -17.861 -2.145 -15.510 1.00 42.01 O ATOM 377 CB LYS A 25 -19.089 -4.652 -14.738 1.00 21.01 C ATOM 378 CG LYS A 25 -19.851 -3.521 -14.069 1.00 61.10 C ATOM 379 CD LYS A 25 -21.278 -3.927 -13.743 1.00 13.03 C ATOM 380 CE LYS A 25 -22.260 -3.386 -14.770 1.00 55.23 C ATOM 381 NZ LYS A 25 -23.052 -2.244 -14.234 1.00 4.13 N ATOM 0 H LYS A 25 -17.646 -6.175 -16.140 1.00 21.11 H new ATOM 0 HA LYS A 25 -19.491 -4.009 -16.749 1.00 63.25 H new ATOM 0 HB2 LYS A 25 -19.722 -5.539 -14.765 1.00 21.01 H new ATOM 0 HB3 LYS A 25 -18.218 -4.900 -14.132 1.00 21.01 H new ATOM 0 HG2 LYS A 25 -19.337 -3.226 -13.154 1.00 61.10 H new ATOM 0 HG3 LYS A 25 -19.860 -2.650 -14.724 1.00 61.10 H new ATOM 0 HD2 LYS A 25 -21.349 -5.014 -13.708 1.00 13.03 H new ATOM 0 HD3 LYS A 25 -21.545 -3.558 -12.753 1.00 13.03 H new ATOM 0 HE2 LYS A 25 -21.716 -3.065 -15.658 1.00 55.23 H new ATOM 0 HE3 LYS A 25 -22.936 -4.183 -15.081 1.00 55.23 H new ATOM 0 HZ1 LYS A 25 -23.261 -1.576 -15.003 1.00 4.13 H new ATOM 0 HZ2 LYS A 25 -23.943 -2.598 -13.831 1.00 4.13 H new ATOM 0 HZ3 LYS A 25 -22.505 -1.760 -13.494 1.00 4.13 H new ATOM 395 N TRP A 26 -16.492 -3.377 -16.802 1.00 4.34 N ATOM 396 CA TRP A 26 -15.446 -2.361 -16.852 1.00 12.23 C ATOM 397 C TRP A 26 -15.306 -1.657 -15.506 1.00 61.42 C ATOM 398 O TRP A 26 -15.795 -0.542 -15.325 1.00 31.01 O ATOM 399 CB TRP A 26 -15.753 -1.338 -17.946 1.00 41.45 C ATOM 400 CG TRP A 26 -14.839 -0.150 -17.923 1.00 24.22 C ATOM 401 CD1 TRP A 26 -13.532 -0.114 -18.317 1.00 64.23 C ATOM 402 CD2 TRP A 26 -15.163 1.172 -17.479 1.00 45.05 C ATOM 403 NE1 TRP A 26 -13.024 1.151 -18.146 1.00 25.11 N ATOM 404 CE2 TRP A 26 -14.004 1.959 -17.634 1.00 72.32 C ATOM 405 CE3 TRP A 26 -16.318 1.769 -16.969 1.00 75.40 C ATOM 406 CZ2 TRP A 26 -13.971 3.309 -17.295 1.00 60.32 C ATOM 407 CZ3 TRP A 26 -16.284 3.108 -16.633 1.00 3.52 C ATOM 408 CH2 TRP A 26 -15.117 3.867 -16.798 1.00 30.24 C ATOM 0 H TRP A 26 -16.278 -4.229 -17.320 1.00 4.34 H new ATOM 0 HA TRP A 26 -14.503 -2.857 -17.082 1.00 12.23 H new ATOM 0 HB2 TRP A 26 -15.680 -1.824 -18.919 1.00 41.45 H new ATOM 0 HB3 TRP A 26 -16.783 -0.997 -17.836 1.00 41.45 H new ATOM 0 HD1 TRP A 26 -12.979 -0.956 -18.706 1.00 64.23 H new ATOM 0 HE1 TRP A 26 -12.071 1.441 -18.365 1.00 25.11 H new ATOM 0 HE3 TRP A 26 -17.222 1.193 -16.840 1.00 75.40 H new ATOM 0 HZ2 TRP A 26 -13.072 3.895 -17.420 1.00 60.32 H new ATOM 0 HZ3 TRP A 26 -17.172 3.578 -16.236 1.00 3.52 H new ATOM 0 HH2 TRP A 26 -15.123 4.913 -16.528 1.00 30.24 H new ATOM 419 N ILE A 27 -14.635 -2.315 -14.567 1.00 34.45 N ATOM 420 CA ILE A 27 -14.430 -1.751 -13.238 1.00 74.23 C ATOM 421 C ILE A 27 -12.956 -1.454 -12.989 1.00 23.01 C ATOM 422 O ILE A 27 -12.123 -2.361 -12.968 1.00 53.10 O ATOM 423 CB ILE A 27 -14.945 -2.699 -12.139 1.00 4.14 C ATOM 424 CG1 ILE A 27 -16.163 -3.479 -12.636 1.00 71.21 C ATOM 425 CG2 ILE A 27 -15.288 -1.914 -10.881 1.00 75.24 C ATOM 426 CD1 ILE A 27 -15.832 -4.875 -13.115 1.00 73.24 C ATOM 0 H ILE A 27 -14.224 -3.239 -14.701 1.00 34.45 H new ATOM 0 HA ILE A 27 -14.997 -0.821 -13.198 1.00 74.23 H new ATOM 0 HB ILE A 27 -14.157 -3.411 -11.896 1.00 4.14 H new ATOM 0 HG12 ILE A 27 -16.896 -3.544 -11.832 1.00 71.21 H new ATOM 0 HG13 ILE A 27 -16.631 -2.926 -13.450 1.00 71.21 H new ATOM 0 HG21 ILE A 27 -15.651 -2.597 -10.113 1.00 75.24 H new ATOM 0 HG22 ILE A 27 -14.398 -1.400 -10.518 1.00 75.24 H new ATOM 0 HG23 ILE A 27 -16.062 -1.181 -11.109 1.00 75.24 H new ATOM 0 HD11 ILE A 27 -16.743 -5.369 -13.453 1.00 73.24 H new ATOM 0 HD12 ILE A 27 -15.123 -4.818 -13.941 1.00 73.24 H new ATOM 0 HD13 ILE A 27 -15.391 -5.445 -12.297 1.00 73.24 H new ATOM 438 N VAL A 28 -12.639 -0.177 -12.798 1.00 61.22 N ATOM 439 CA VAL A 28 -11.265 0.240 -12.547 1.00 3.31 C ATOM 440 C VAL A 28 -11.072 0.648 -11.091 1.00 1.14 C ATOM 441 O VAL A 28 -11.526 1.711 -10.667 1.00 12.11 O ATOM 442 CB VAL A 28 -10.860 1.416 -13.456 1.00 12.13 C ATOM 443 CG1 VAL A 28 -9.346 1.536 -13.532 1.00 62.21 C ATOM 444 CG2 VAL A 28 -11.461 1.248 -14.843 1.00 64.42 C ATOM 0 H VAL A 28 -13.315 0.586 -12.812 1.00 61.22 H new ATOM 0 HA VAL A 28 -10.629 -0.617 -12.769 1.00 3.31 H new ATOM 0 HB VAL A 28 -11.251 2.337 -13.025 1.00 12.13 H new ATOM 0 HG11 VAL A 28 -9.079 2.372 -14.179 1.00 62.21 H new ATOM 0 HG12 VAL A 28 -8.944 1.707 -12.533 1.00 62.21 H new ATOM 0 HG13 VAL A 28 -8.928 0.615 -13.939 1.00 62.21 H new ATOM 0 HG21 VAL A 28 -11.165 2.087 -15.472 1.00 64.42 H new ATOM 0 HG22 VAL A 28 -11.102 0.319 -15.285 1.00 64.42 H new ATOM 0 HG23 VAL A 28 -12.548 1.217 -14.767 1.00 64.42 H new ATOM 454 N PHE A 29 -10.395 -0.204 -10.328 1.00 45.21 N ATOM 455 CA PHE A 29 -10.141 0.067 -8.918 1.00 13.32 C ATOM 456 C PHE A 29 -8.663 0.356 -8.676 1.00 44.45 C ATOM 457 O PHE A 29 -7.791 -0.220 -9.328 1.00 1.42 O ATOM 458 CB PHE A 29 -10.587 -1.119 -8.060 1.00 52.05 C ATOM 459 CG PHE A 29 -9.545 -2.193 -7.934 1.00 42.15 C ATOM 460 CD1 PHE A 29 -8.515 -2.073 -7.015 1.00 33.11 C ATOM 461 CD2 PHE A 29 -9.594 -3.322 -8.736 1.00 70.10 C ATOM 462 CE1 PHE A 29 -7.555 -3.060 -6.896 1.00 45.31 C ATOM 463 CE2 PHE A 29 -8.636 -4.312 -8.621 1.00 74.04 C ATOM 464 CZ PHE A 29 -7.615 -4.180 -7.701 1.00 62.13 C ATOM 0 H PHE A 29 -10.012 -1.088 -10.663 1.00 45.21 H new ATOM 0 HA PHE A 29 -10.716 0.949 -8.635 1.00 13.32 H new ATOM 0 HB2 PHE A 29 -10.849 -0.759 -7.065 1.00 52.05 H new ATOM 0 HB3 PHE A 29 -11.491 -1.550 -8.491 1.00 52.05 H new ATOM 0 HD1 PHE A 29 -8.462 -1.198 -6.384 1.00 33.11 H new ATOM 0 HD2 PHE A 29 -10.389 -3.430 -9.459 1.00 70.10 H new ATOM 0 HE1 PHE A 29 -6.759 -2.955 -6.174 1.00 45.31 H new ATOM 0 HE2 PHE A 29 -8.686 -5.188 -9.250 1.00 74.04 H new ATOM 0 HZ PHE A 29 -6.865 -4.952 -7.611 1.00 62.13 H new ATOM 474 N LYS A 30 -8.387 1.253 -7.736 1.00 12.43 N ATOM 475 CA LYS A 30 -7.015 1.620 -7.406 1.00 12.31 C ATOM 476 C LYS A 30 -6.632 1.105 -6.022 1.00 41.52 C ATOM 477 O LYS A 30 -7.453 0.515 -5.320 1.00 74.12 O ATOM 478 CB LYS A 30 -6.844 3.140 -7.462 1.00 14.14 C ATOM 479 CG LYS A 30 -7.734 3.888 -6.484 1.00 3.33 C ATOM 480 CD LYS A 30 -7.148 5.243 -6.122 1.00 33.13 C ATOM 481 CE LYS A 30 -7.200 5.490 -4.622 1.00 32.32 C ATOM 482 NZ LYS A 30 -6.621 6.812 -4.257 1.00 4.02 N ATOM 0 H LYS A 30 -9.096 1.740 -7.188 1.00 12.43 H new ATOM 0 HA LYS A 30 -6.355 1.159 -8.141 1.00 12.31 H new ATOM 0 HB2 LYS A 30 -5.803 3.388 -7.256 1.00 14.14 H new ATOM 0 HB3 LYS A 30 -7.060 3.485 -8.473 1.00 14.14 H new ATOM 0 HG2 LYS A 30 -8.723 4.023 -6.921 1.00 3.33 H new ATOM 0 HG3 LYS A 30 -7.863 3.293 -5.580 1.00 3.33 H new ATOM 0 HD2 LYS A 30 -6.115 5.297 -6.465 1.00 33.13 H new ATOM 0 HD3 LYS A 30 -7.698 6.029 -6.640 1.00 33.13 H new ATOM 0 HE2 LYS A 30 -8.234 5.440 -4.281 1.00 32.32 H new ATOM 0 HE3 LYS A 30 -6.656 4.700 -4.105 1.00 32.32 H new ATOM 0 HZ1 LYS A 30 -6.869 7.040 -3.273 1.00 4.02 H new ATOM 0 HZ2 LYS A 30 -5.586 6.776 -4.354 1.00 4.02 H new ATOM 0 HZ3 LYS A 30 -7.003 7.545 -4.889 1.00 4.02 H new ATOM 496 N ILE A 31 -5.381 1.334 -5.636 1.00 53.42 N ATOM 497 CA ILE A 31 -4.891 0.896 -4.335 1.00 74.34 C ATOM 498 C ILE A 31 -4.296 2.060 -3.551 1.00 60.00 C ATOM 499 O ILE A 31 -3.252 2.599 -3.918 1.00 73.41 O ATOM 500 CB ILE A 31 -3.828 -0.210 -4.478 1.00 15.34 C ATOM 501 CG1 ILE A 31 -2.797 0.178 -5.539 1.00 3.22 C ATOM 502 CG2 ILE A 31 -4.487 -1.535 -4.831 1.00 23.14 C ATOM 503 CD1 ILE A 31 -1.754 -0.890 -5.787 1.00 13.42 C ATOM 0 H ILE A 31 -4.689 1.820 -6.206 1.00 53.42 H new ATOM 0 HA ILE A 31 -5.748 0.497 -3.792 1.00 74.34 H new ATOM 0 HB ILE A 31 -3.314 -0.325 -3.524 1.00 15.34 H new ATOM 0 HG12 ILE A 31 -3.314 0.394 -6.474 1.00 3.22 H new ATOM 0 HG13 ILE A 31 -2.298 1.097 -5.231 1.00 3.22 H new ATOM 0 HG21 ILE A 31 -3.723 -2.307 -4.929 1.00 23.14 H new ATOM 0 HG22 ILE A 31 -5.187 -1.815 -4.043 1.00 23.14 H new ATOM 0 HG23 ILE A 31 -5.024 -1.434 -5.774 1.00 23.14 H new ATOM 0 HD11 ILE A 31 -1.056 -0.547 -6.551 1.00 13.42 H new ATOM 0 HD12 ILE A 31 -1.211 -1.090 -4.863 1.00 13.42 H new ATOM 0 HD13 ILE A 31 -2.242 -1.804 -6.126 1.00 13.42 H new ATOM 515 N GLU A 32 -4.966 2.442 -2.468 1.00 74.54 N ATOM 516 CA GLU A 32 -4.502 3.542 -1.631 1.00 72.35 C ATOM 517 C GLU A 32 -3.395 3.079 -0.689 1.00 31.41 C ATOM 518 O GLU A 32 -2.878 1.970 -0.819 1.00 42.14 O ATOM 519 CB GLU A 32 -5.665 4.123 -0.824 1.00 4.11 C ATOM 520 CG GLU A 32 -5.755 5.638 -0.892 1.00 52.31 C ATOM 521 CD GLU A 32 -7.104 6.163 -0.438 1.00 44.12 C ATOM 522 OE1 GLU A 32 -7.323 6.256 0.788 1.00 45.44 O ATOM 523 OE2 GLU A 32 -7.940 6.481 -1.310 1.00 22.32 O ATOM 0 H GLU A 32 -5.832 2.006 -2.150 1.00 74.54 H new ATOM 0 HA GLU A 32 -4.099 4.317 -2.283 1.00 72.35 H new ATOM 0 HB2 GLU A 32 -6.599 3.695 -1.189 1.00 4.11 H new ATOM 0 HB3 GLU A 32 -5.561 3.820 0.218 1.00 4.11 H new ATOM 0 HG2 GLU A 32 -4.972 6.073 -0.271 1.00 52.31 H new ATOM 0 HG3 GLU A 32 -5.568 5.964 -1.915 1.00 52.31 H new ATOM 530 N ASN A 33 -3.037 3.937 0.260 1.00 3.14 N ATOM 531 CA ASN A 33 -1.990 3.617 1.225 1.00 53.44 C ATOM 532 C ASN A 33 -2.432 2.491 2.154 1.00 74.34 C ATOM 533 O ASN A 33 -3.045 2.733 3.194 1.00 24.44 O ATOM 534 CB ASN A 33 -1.628 4.857 2.045 1.00 45.02 C ATOM 535 CG ASN A 33 -1.345 6.065 1.173 1.00 54.14 C ATOM 536 OD1 ASN A 33 -0.203 6.312 0.785 1.00 32.14 O ATOM 537 ND2 ASN A 33 -2.388 6.825 0.859 1.00 15.04 N ATOM 0 H ASN A 33 -3.456 4.859 0.382 1.00 3.14 H new ATOM 0 HA ASN A 33 -1.111 3.285 0.673 1.00 53.44 H new ATOM 0 HB2 ASN A 33 -2.445 5.089 2.728 1.00 45.02 H new ATOM 0 HB3 ASN A 33 -0.752 4.641 2.657 1.00 45.02 H new ATOM 0 HD21 ASN A 33 -2.260 7.651 0.274 1.00 15.04 H new ATOM 0 HD22 ASN A 33 -3.317 6.583 1.203 1.00 15.04 H new ATOM 544 N THR A 34 -2.117 1.257 1.771 1.00 54.24 N ATOM 545 CA THR A 34 -2.482 0.093 2.568 1.00 60.23 C ATOM 546 C THR A 34 -3.986 -0.151 2.528 1.00 32.35 C ATOM 547 O THR A 34 -4.611 -0.409 3.558 1.00 70.25 O ATOM 548 CB THR A 34 -2.038 0.254 4.034 1.00 44.23 C ATOM 549 OG1 THR A 34 -0.935 1.165 4.114 1.00 32.51 O ATOM 550 CG2 THR A 34 -1.638 -1.088 4.629 1.00 53.50 C ATOM 0 H THR A 34 -1.610 1.039 0.913 1.00 54.24 H new ATOM 0 HA THR A 34 -1.966 -0.763 2.132 1.00 60.23 H new ATOM 0 HB THR A 34 -2.878 0.650 4.604 1.00 44.23 H new ATOM 0 HG1 THR A 34 -0.659 1.264 5.049 1.00 32.51 H new ATOM 0 HG21 THR A 34 -1.328 -0.949 5.665 1.00 53.50 H new ATOM 0 HG22 THR A 34 -2.488 -1.770 4.593 1.00 53.50 H new ATOM 0 HG23 THR A 34 -0.811 -1.508 4.056 1.00 53.50 H new ATOM 558 N LYS A 35 -4.563 -0.069 1.334 1.00 32.05 N ATOM 559 CA LYS A 35 -5.995 -0.283 1.160 1.00 41.03 C ATOM 560 C LYS A 35 -6.369 -0.280 -0.319 1.00 61.21 C ATOM 561 O LYS A 35 -5.610 0.202 -1.160 1.00 4.52 O ATOM 562 CB LYS A 35 -6.787 0.798 1.899 1.00 21.20 C ATOM 563 CG LYS A 35 -8.280 0.524 1.959 1.00 23.00 C ATOM 564 CD LYS A 35 -8.574 -0.829 2.584 1.00 22.40 C ATOM 565 CE LYS A 35 -8.004 -0.929 3.991 1.00 61.43 C ATOM 566 NZ LYS A 35 -8.396 -2.201 4.659 1.00 13.01 N ATOM 0 H LYS A 35 -4.061 0.144 0.472 1.00 32.05 H new ATOM 0 HA LYS A 35 -6.245 -1.258 1.579 1.00 41.03 H new ATOM 0 HB2 LYS A 35 -6.402 0.889 2.915 1.00 21.20 H new ATOM 0 HB3 LYS A 35 -6.622 1.757 1.408 1.00 21.20 H new ATOM 0 HG2 LYS A 35 -8.772 1.307 2.536 1.00 23.00 H new ATOM 0 HG3 LYS A 35 -8.698 0.560 0.953 1.00 23.00 H new ATOM 0 HD2 LYS A 35 -9.652 -0.990 2.615 1.00 22.40 H new ATOM 0 HD3 LYS A 35 -8.151 -1.618 1.962 1.00 22.40 H new ATOM 0 HE2 LYS A 35 -6.917 -0.861 3.948 1.00 61.43 H new ATOM 0 HE3 LYS A 35 -8.353 -0.084 4.585 1.00 61.43 H new ATOM 0 HZ1 LYS A 35 -7.988 -2.231 5.615 1.00 13.01 H new ATOM 0 HZ2 LYS A 35 -9.433 -2.254 4.723 1.00 13.01 H new ATOM 0 HZ3 LYS A 35 -8.041 -3.007 4.106 1.00 13.01 H new ATOM 580 N ILE A 36 -7.543 -0.820 -0.629 1.00 23.22 N ATOM 581 CA ILE A 36 -8.017 -0.877 -2.006 1.00 34.02 C ATOM 582 C ILE A 36 -9.380 -0.206 -2.146 1.00 23.23 C ATOM 583 O ILE A 36 -10.222 -0.294 -1.252 1.00 62.00 O ATOM 584 CB ILE A 36 -8.119 -2.330 -2.507 1.00 12.23 C ATOM 585 CG1 ILE A 36 -6.728 -2.961 -2.592 1.00 72.44 C ATOM 586 CG2 ILE A 36 -8.812 -2.376 -3.860 1.00 72.03 C ATOM 587 CD1 ILE A 36 -6.722 -4.448 -2.314 1.00 64.33 C ATOM 0 H ILE A 36 -8.183 -1.224 0.055 1.00 23.22 H new ATOM 0 HA ILE A 36 -7.287 -0.342 -2.614 1.00 34.02 H new ATOM 0 HB ILE A 36 -8.715 -2.904 -1.797 1.00 12.23 H new ATOM 0 HG12 ILE A 36 -6.317 -2.784 -3.586 1.00 72.44 H new ATOM 0 HG13 ILE A 36 -6.068 -2.464 -1.881 1.00 72.44 H new ATOM 0 HG21 ILE A 36 -8.877 -3.409 -4.201 1.00 72.03 H new ATOM 0 HG22 ILE A 36 -9.816 -1.961 -3.769 1.00 72.03 H new ATOM 0 HG23 ILE A 36 -8.241 -1.791 -4.581 1.00 72.03 H new ATOM 0 HD11 ILE A 36 -5.704 -4.829 -2.392 1.00 64.33 H new ATOM 0 HD12 ILE A 36 -7.103 -4.632 -1.309 1.00 64.33 H new ATOM 0 HD13 ILE A 36 -7.356 -4.957 -3.041 1.00 64.33 H new ATOM 599 N VAL A 37 -9.591 0.463 -3.275 1.00 5.13 N ATOM 600 CA VAL A 37 -10.852 1.147 -3.534 1.00 61.30 C ATOM 601 C VAL A 37 -11.171 1.165 -5.025 1.00 3.13 C ATOM 602 O VAL A 37 -10.290 0.967 -5.862 1.00 2.04 O ATOM 603 CB VAL A 37 -10.824 2.594 -3.008 1.00 52.22 C ATOM 604 CG1 VAL A 37 -10.954 2.615 -1.493 1.00 34.41 C ATOM 605 CG2 VAL A 37 -9.550 3.297 -3.452 1.00 13.43 C ATOM 0 H VAL A 37 -8.905 0.546 -4.025 1.00 5.13 H new ATOM 0 HA VAL A 37 -11.628 0.592 -3.006 1.00 61.30 H new ATOM 0 HB VAL A 37 -11.674 3.131 -3.428 1.00 52.22 H new ATOM 0 HG11 VAL A 37 -10.932 3.646 -1.140 1.00 34.41 H new ATOM 0 HG12 VAL A 37 -11.897 2.152 -1.202 1.00 34.41 H new ATOM 0 HG13 VAL A 37 -10.126 2.062 -1.049 1.00 34.41 H new ATOM 0 HG21 VAL A 37 -9.547 4.318 -3.072 1.00 13.43 H new ATOM 0 HG22 VAL A 37 -8.684 2.762 -3.062 1.00 13.43 H new ATOM 0 HG23 VAL A 37 -9.505 3.315 -4.541 1.00 13.43 H new ATOM 615 N VAL A 38 -12.437 1.405 -5.351 1.00 21.04 N ATOM 616 CA VAL A 38 -12.873 1.451 -6.741 1.00 41.22 C ATOM 617 C VAL A 38 -12.905 2.884 -7.260 1.00 11.54 C ATOM 618 O VAL A 38 -13.224 3.815 -6.520 1.00 64.11 O ATOM 619 CB VAL A 38 -14.269 0.823 -6.913 1.00 3.21 C ATOM 620 CG1 VAL A 38 -15.217 1.325 -5.834 1.00 43.25 C ATOM 621 CG2 VAL A 38 -14.820 1.121 -8.299 1.00 45.03 C ATOM 0 H VAL A 38 -13.179 1.571 -4.671 1.00 21.04 H new ATOM 0 HA VAL A 38 -12.150 0.875 -7.318 1.00 41.22 H new ATOM 0 HB VAL A 38 -14.177 -0.258 -6.808 1.00 3.21 H new ATOM 0 HG11 VAL A 38 -16.198 0.871 -5.972 1.00 43.25 H new ATOM 0 HG12 VAL A 38 -14.827 1.055 -4.853 1.00 43.25 H new ATOM 0 HG13 VAL A 38 -15.306 2.409 -5.904 1.00 43.25 H new ATOM 0 HG21 VAL A 38 -15.807 0.670 -8.403 1.00 45.03 H new ATOM 0 HG22 VAL A 38 -14.898 2.200 -8.435 1.00 45.03 H new ATOM 0 HG23 VAL A 38 -14.151 0.707 -9.053 1.00 45.03 H new ATOM 631 N GLU A 39 -12.574 3.054 -8.536 1.00 4.02 N ATOM 632 CA GLU A 39 -12.565 4.375 -9.153 1.00 4.20 C ATOM 633 C GLU A 39 -13.777 4.560 -10.061 1.00 62.43 C ATOM 634 O GLU A 39 -14.491 5.558 -9.968 1.00 34.23 O ATOM 635 CB GLU A 39 -11.277 4.579 -9.954 1.00 52.34 C ATOM 636 CG GLU A 39 -10.014 4.302 -9.157 1.00 64.25 C ATOM 637 CD GLU A 39 -9.241 5.565 -8.830 1.00 71.12 C ATOM 638 OE1 GLU A 39 -9.882 6.582 -8.492 1.00 24.14 O ATOM 639 OE2 GLU A 39 -7.995 5.536 -8.913 1.00 32.34 O ATOM 0 H GLU A 39 -12.309 2.294 -9.162 1.00 4.02 H new ATOM 0 HA GLU A 39 -12.612 5.120 -8.358 1.00 4.20 H new ATOM 0 HB2 GLU A 39 -11.295 3.927 -10.828 1.00 52.34 H new ATOM 0 HB3 GLU A 39 -11.247 5.605 -10.322 1.00 52.34 H new ATOM 0 HG2 GLU A 39 -10.278 3.792 -8.230 1.00 64.25 H new ATOM 0 HG3 GLU A 39 -9.374 3.625 -9.722 1.00 64.25 H new ATOM 646 N LYS A 40 -14.002 3.590 -10.941 1.00 72.13 N ATOM 647 CA LYS A 40 -15.127 3.643 -11.867 1.00 73.32 C ATOM 648 C LYS A 40 -15.726 2.255 -12.075 1.00 52.34 C ATOM 649 O LYS A 40 -15.086 1.243 -11.789 1.00 13.43 O ATOM 650 CB LYS A 40 -14.682 4.224 -13.211 1.00 1.42 C ATOM 651 CG LYS A 40 -13.524 3.473 -13.845 1.00 74.22 C ATOM 652 CD LYS A 40 -12.414 4.417 -14.273 1.00 42.41 C ATOM 653 CE LYS A 40 -11.747 5.073 -13.074 1.00 24.24 C ATOM 654 NZ LYS A 40 -11.381 6.490 -13.348 1.00 40.00 N ATOM 0 H LYS A 40 -13.420 2.757 -11.032 1.00 72.13 H new ATOM 0 HA LYS A 40 -15.891 4.289 -11.434 1.00 73.32 H new ATOM 0 HB2 LYS A 40 -15.528 4.217 -13.898 1.00 1.42 H new ATOM 0 HB3 LYS A 40 -14.394 5.266 -13.070 1.00 1.42 H new ATOM 0 HG2 LYS A 40 -13.130 2.745 -13.136 1.00 74.22 H new ATOM 0 HG3 LYS A 40 -13.882 2.915 -14.710 1.00 74.22 H new ATOM 0 HD2 LYS A 40 -11.670 3.867 -14.849 1.00 42.41 H new ATOM 0 HD3 LYS A 40 -12.822 5.186 -14.930 1.00 42.41 H new ATOM 0 HE2 LYS A 40 -12.419 5.031 -12.217 1.00 24.24 H new ATOM 0 HE3 LYS A 40 -10.852 4.512 -12.805 1.00 24.24 H new ATOM 0 HZ1 LYS A 40 -10.929 6.901 -12.506 1.00 40.00 H new ATOM 0 HZ2 LYS A 40 -10.720 6.529 -14.150 1.00 40.00 H new ATOM 0 HZ3 LYS A 40 -12.238 7.031 -13.580 1.00 40.00 H new ATOM 668 N ASP A 41 -16.956 2.216 -12.577 1.00 23.03 N ATOM 669 CA ASP A 41 -17.640 0.952 -12.826 1.00 3.32 C ATOM 670 C ASP A 41 -18.994 1.189 -13.488 1.00 24.42 C ATOM 671 O ASP A 41 -19.669 2.178 -13.207 1.00 72.31 O ATOM 672 CB ASP A 41 -17.825 0.182 -11.518 1.00 32.32 C ATOM 673 CG ASP A 41 -19.115 0.547 -10.809 1.00 23.42 C ATOM 674 OD1 ASP A 41 -19.136 1.583 -10.113 1.00 23.13 O ATOM 675 OD2 ASP A 41 -20.103 -0.205 -10.949 1.00 45.22 O ATOM 0 H ASP A 41 -17.499 3.045 -12.819 1.00 23.03 H new ATOM 0 HA ASP A 41 -17.024 0.360 -13.503 1.00 3.32 H new ATOM 0 HB2 ASP A 41 -17.818 -0.888 -11.726 1.00 32.32 H new ATOM 0 HB3 ASP A 41 -16.981 0.384 -10.858 1.00 32.32 H new ATOM 680 N GLY A 42 -19.384 0.273 -14.370 1.00 5.12 N ATOM 681 CA GLY A 42 -20.654 0.401 -15.059 1.00 72.21 C ATOM 682 C GLY A 42 -20.533 0.154 -16.550 1.00 4.33 C ATOM 683 O GLY A 42 -21.185 0.821 -17.353 1.00 14.44 O ATOM 0 H GLY A 42 -18.843 -0.555 -14.619 1.00 5.12 H new ATOM 0 HA2 GLY A 42 -21.367 -0.305 -14.634 1.00 72.21 H new ATOM 0 HA3 GLY A 42 -21.056 1.400 -14.891 1.00 72.21 H new ATOM 687 N LYS A 43 -19.693 -0.806 -16.922 1.00 51.25 N ATOM 688 CA LYS A 43 -19.487 -1.140 -18.327 1.00 5.53 C ATOM 689 C LYS A 43 -18.817 0.014 -19.067 1.00 63.42 C ATOM 690 O LYS A 43 -19.109 1.181 -18.812 1.00 52.12 O ATOM 691 CB LYS A 43 -20.821 -1.481 -18.993 1.00 14.41 C ATOM 692 CG LYS A 43 -20.757 -2.700 -19.896 1.00 25.33 C ATOM 693 CD LYS A 43 -21.846 -3.704 -19.556 1.00 43.12 C ATOM 694 CE LYS A 43 -21.618 -4.332 -18.190 1.00 34.22 C ATOM 695 NZ LYS A 43 -22.867 -4.928 -17.639 1.00 21.22 N ATOM 0 H LYS A 43 -19.144 -1.367 -16.270 1.00 51.25 H new ATOM 0 HA LYS A 43 -18.832 -2.010 -18.376 1.00 5.53 H new ATOM 0 HB2 LYS A 43 -21.570 -1.651 -18.220 1.00 14.41 H new ATOM 0 HB3 LYS A 43 -21.155 -0.624 -19.577 1.00 14.41 H new ATOM 0 HG2 LYS A 43 -20.859 -2.389 -20.936 1.00 25.33 H new ATOM 0 HG3 LYS A 43 -19.780 -3.174 -19.800 1.00 25.33 H new ATOM 0 HD2 LYS A 43 -22.817 -3.209 -19.573 1.00 43.12 H new ATOM 0 HD3 LYS A 43 -21.873 -4.484 -20.316 1.00 43.12 H new ATOM 0 HE2 LYS A 43 -20.851 -5.103 -18.268 1.00 34.22 H new ATOM 0 HE3 LYS A 43 -21.241 -3.576 -17.501 1.00 34.22 H new ATOM 0 HZ1 LYS A 43 -22.629 -5.756 -17.057 1.00 21.22 H new ATOM 0 HZ2 LYS A 43 -23.359 -4.223 -17.054 1.00 21.22 H new ATOM 0 HZ3 LYS A 43 -23.486 -5.222 -18.421 1.00 21.22 H new ATOM 709 N GLY A 44 -17.917 -0.322 -19.987 1.00 30.32 N ATOM 710 CA GLY A 44 -17.221 0.697 -20.751 1.00 32.41 C ATOM 711 C GLY A 44 -16.413 0.114 -21.893 1.00 25.22 C ATOM 712 O GLY A 44 -16.300 0.722 -22.956 1.00 4.30 O ATOM 0 H GLY A 44 -17.658 -1.281 -20.217 1.00 30.32 H new ATOM 0 HA2 GLY A 44 -17.946 1.407 -21.148 1.00 32.41 H new ATOM 0 HA3 GLY A 44 -16.559 1.254 -20.089 1.00 32.41 H new ATOM 716 N ASN A 45 -15.847 -1.068 -21.672 1.00 62.52 N ATOM 717 CA ASN A 45 -15.042 -1.733 -22.691 1.00 40.31 C ATOM 718 C ASN A 45 -13.762 -0.951 -22.968 1.00 45.20 C ATOM 719 O ASN A 45 -13.484 0.056 -22.318 1.00 14.53 O ATOM 720 CB ASN A 45 -15.846 -1.890 -23.983 1.00 71.42 C ATOM 721 CG ASN A 45 -15.546 -3.195 -24.696 1.00 23.05 C ATOM 722 OD1 ASN A 45 -14.600 -3.284 -25.479 1.00 74.01 O ATOM 723 ND2 ASN A 45 -16.352 -4.215 -24.426 1.00 22.42 N ATOM 0 H ASN A 45 -15.931 -1.585 -20.797 1.00 62.52 H new ATOM 0 HA ASN A 45 -14.770 -2.720 -22.317 1.00 40.31 H new ATOM 0 HB2 ASN A 45 -16.910 -1.841 -23.754 1.00 71.42 H new ATOM 0 HB3 ASN A 45 -15.625 -1.056 -24.649 1.00 71.42 H new ATOM 0 HD21 ASN A 45 -16.199 -5.118 -24.875 1.00 22.42 H new ATOM 0 HD22 ASN A 45 -17.124 -4.095 -23.770 1.00 22.42 H new ATOM 730 N ALA A 46 -12.985 -1.422 -23.938 1.00 70.12 N ATOM 731 CA ALA A 46 -11.736 -0.766 -24.303 1.00 64.13 C ATOM 732 C ALA A 46 -11.994 0.611 -24.905 1.00 50.00 C ATOM 733 O ALA A 46 -11.077 1.421 -25.043 1.00 62.53 O ATOM 734 CB ALA A 46 -10.951 -1.631 -25.278 1.00 65.30 C ATOM 0 H ALA A 46 -13.199 -2.256 -24.485 1.00 70.12 H new ATOM 0 HA ALA A 46 -11.146 -0.632 -23.396 1.00 64.13 H new ATOM 0 HB1 ALA A 46 -10.020 -1.129 -25.542 1.00 65.30 H new ATOM 0 HB2 ALA A 46 -10.726 -2.591 -24.813 1.00 65.30 H new ATOM 0 HB3 ALA A 46 -11.543 -1.794 -26.178 1.00 65.30 H new ATOM 740 N ASP A 47 -13.247 0.870 -25.262 1.00 32.23 N ATOM 741 CA ASP A 47 -13.626 2.150 -25.849 1.00 32.22 C ATOM 742 C ASP A 47 -13.489 3.277 -24.830 1.00 21.11 C ATOM 743 O ASP A 47 -12.760 4.243 -25.054 1.00 31.31 O ATOM 744 CB ASP A 47 -15.062 2.090 -26.371 1.00 55.22 C ATOM 745 CG ASP A 47 -15.237 2.848 -27.672 1.00 52.44 C ATOM 746 OD1 ASP A 47 -15.335 4.093 -27.626 1.00 31.31 O ATOM 747 OD2 ASP A 47 -15.275 2.198 -28.737 1.00 72.53 O ATOM 0 H ASP A 47 -14.018 0.210 -25.155 1.00 32.23 H new ATOM 0 HA ASP A 47 -12.953 2.354 -26.682 1.00 32.22 H new ATOM 0 HB2 ASP A 47 -15.348 1.049 -26.519 1.00 55.22 H new ATOM 0 HB3 ASP A 47 -15.736 2.502 -25.620 1.00 55.22 H new ATOM 752 N GLU A 48 -14.195 3.146 -23.711 1.00 52.03 N ATOM 753 CA GLU A 48 -14.153 4.155 -22.659 1.00 43.04 C ATOM 754 C GLU A 48 -12.954 3.934 -21.741 1.00 71.23 C ATOM 755 O GLU A 48 -12.439 4.875 -21.136 1.00 72.55 O ATOM 756 CB GLU A 48 -15.446 4.127 -21.843 1.00 15.31 C ATOM 757 CG GLU A 48 -15.224 3.889 -20.359 1.00 15.13 C ATOM 758 CD GLU A 48 -16.469 4.153 -19.533 1.00 44.11 C ATOM 759 OE1 GLU A 48 -17.364 3.283 -19.514 1.00 12.22 O ATOM 760 OE2 GLU A 48 -16.546 5.230 -18.906 1.00 11.32 O ATOM 0 H GLU A 48 -14.802 2.352 -23.510 1.00 52.03 H new ATOM 0 HA GLU A 48 -14.052 5.132 -23.132 1.00 43.04 H new ATOM 0 HB2 GLU A 48 -15.970 5.073 -21.976 1.00 15.31 H new ATOM 0 HB3 GLU A 48 -16.096 3.345 -22.235 1.00 15.31 H new ATOM 0 HG2 GLU A 48 -14.901 2.859 -20.204 1.00 15.13 H new ATOM 0 HG3 GLU A 48 -14.417 4.532 -20.008 1.00 15.13 H new ATOM 767 N PHE A 49 -12.515 2.683 -21.642 1.00 51.41 N ATOM 768 CA PHE A 49 -11.378 2.337 -20.797 1.00 14.11 C ATOM 769 C PHE A 49 -10.103 3.007 -21.300 1.00 21.04 C ATOM 770 O PHE A 49 -9.223 3.360 -20.514 1.00 31.41 O ATOM 771 CB PHE A 49 -11.189 0.819 -20.757 1.00 51.31 C ATOM 772 CG PHE A 49 -9.926 0.391 -20.066 1.00 73.40 C ATOM 773 CD1 PHE A 49 -9.558 0.954 -18.855 1.00 43.53 C ATOM 774 CD2 PHE A 49 -9.108 -0.576 -20.628 1.00 5.05 C ATOM 775 CE1 PHE A 49 -8.397 0.562 -18.216 1.00 65.05 C ATOM 776 CE2 PHE A 49 -7.945 -0.973 -19.993 1.00 55.32 C ATOM 777 CZ PHE A 49 -7.589 -0.402 -18.787 1.00 21.21 C ATOM 0 H PHE A 49 -12.929 1.893 -22.136 1.00 51.41 H new ATOM 0 HA PHE A 49 -11.583 2.697 -19.789 1.00 14.11 H new ATOM 0 HB2 PHE A 49 -12.042 0.368 -20.250 1.00 51.31 H new ATOM 0 HB3 PHE A 49 -11.184 0.434 -21.777 1.00 51.31 H new ATOM 0 HD1 PHE A 49 -10.186 1.708 -18.405 1.00 43.53 H new ATOM 0 HD2 PHE A 49 -9.381 -1.024 -21.572 1.00 5.05 H new ATOM 0 HE1 PHE A 49 -8.122 1.009 -17.272 1.00 65.05 H new ATOM 0 HE2 PHE A 49 -7.316 -1.729 -20.440 1.00 55.32 H new ATOM 0 HZ PHE A 49 -6.680 -0.709 -18.291 1.00 21.21 H new ATOM 787 N ARG A 50 -10.010 3.178 -22.614 1.00 53.42 N ATOM 788 CA ARG A 50 -8.842 3.804 -23.223 1.00 34.12 C ATOM 789 C ARG A 50 -8.947 5.325 -23.163 1.00 55.04 C ATOM 790 O ARG A 50 -7.957 6.033 -23.341 1.00 55.35 O ATOM 791 CB ARG A 50 -8.693 3.349 -24.676 1.00 25.34 C ATOM 792 CG ARG A 50 -9.723 3.956 -25.614 1.00 3.44 C ATOM 793 CD ARG A 50 -9.091 4.972 -26.552 1.00 43.32 C ATOM 794 NE ARG A 50 -10.094 5.729 -27.296 1.00 14.14 N ATOM 795 CZ ARG A 50 -9.837 6.871 -27.924 1.00 14.02 C ATOM 796 NH1 ARG A 50 -8.615 7.385 -27.899 1.00 34.13 N ATOM 797 NH2 ARG A 50 -10.804 7.501 -28.579 1.00 41.13 N ATOM 0 H ARG A 50 -10.729 2.892 -23.278 1.00 53.42 H new ATOM 0 HA ARG A 50 -7.961 3.496 -22.661 1.00 34.12 H new ATOM 0 HB2 ARG A 50 -7.695 3.610 -25.029 1.00 25.34 H new ATOM 0 HB3 ARG A 50 -8.772 2.263 -24.717 1.00 25.34 H new ATOM 0 HG2 ARG A 50 -10.196 3.166 -26.197 1.00 3.44 H new ATOM 0 HG3 ARG A 50 -10.509 4.437 -25.031 1.00 3.44 H new ATOM 0 HD2 ARG A 50 -8.471 5.660 -25.977 1.00 43.32 H new ATOM 0 HD3 ARG A 50 -8.432 4.458 -27.252 1.00 43.32 H new ATOM 0 HE ARG A 50 -11.044 5.361 -27.336 1.00 14.14 H new ATOM 0 HH11 ARG A 50 -7.869 6.903 -27.397 1.00 34.13 H new ATOM 0 HH12 ARG A 50 -8.421 8.262 -28.382 1.00 34.13 H new ATOM 0 HH21 ARG A 50 -11.745 7.108 -28.600 1.00 41.13 H new ATOM 0 HH22 ARG A 50 -10.606 8.378 -29.061 1.00 41.13 H new ATOM 811 N GLY A 51 -10.156 5.820 -22.912 1.00 44.51 N ATOM 812 CA GLY A 51 -10.368 7.254 -22.834 1.00 70.05 C ATOM 813 C GLY A 51 -10.743 7.710 -21.438 1.00 61.33 C ATOM 814 O GLY A 51 -11.080 8.874 -21.228 1.00 4.52 O ATOM 0 H GLY A 51 -10.991 5.254 -22.762 1.00 44.51 H new ATOM 0 HA2 GLY A 51 -9.461 7.770 -23.150 1.00 70.05 H new ATOM 0 HA3 GLY A 51 -11.156 7.540 -23.530 1.00 70.05 H new ATOM 818 N ALA A 52 -10.686 6.789 -20.482 1.00 34.22 N ATOM 819 CA ALA A 52 -11.022 7.102 -19.099 1.00 14.45 C ATOM 820 C ALA A 52 -9.806 6.956 -18.191 1.00 64.22 C ATOM 821 O ALA A 52 -9.499 7.846 -17.397 1.00 54.31 O ATOM 822 CB ALA A 52 -12.155 6.209 -18.615 1.00 23.32 C ATOM 0 H ALA A 52 -10.410 5.820 -20.640 1.00 34.22 H new ATOM 0 HA ALA A 52 -11.350 8.141 -19.058 1.00 14.45 H new ATOM 0 HB1 ALA A 52 -12.395 6.454 -17.580 1.00 23.32 H new ATOM 0 HB2 ALA A 52 -13.035 6.367 -19.239 1.00 23.32 H new ATOM 0 HB3 ALA A 52 -11.848 5.165 -18.678 1.00 23.32 H new ATOM 828 N LEU A 53 -9.115 5.827 -18.313 1.00 14.31 N ATOM 829 CA LEU A 53 -7.931 5.563 -17.503 1.00 13.53 C ATOM 830 C LEU A 53 -6.930 6.709 -17.613 1.00 31.04 C ATOM 831 O LEU A 53 -6.424 7.023 -18.690 1.00 74.23 O ATOM 832 CB LEU A 53 -7.274 4.253 -17.937 1.00 65.43 C ATOM 833 CG LEU A 53 -6.635 3.421 -16.824 1.00 61.14 C ATOM 834 CD1 LEU A 53 -5.467 4.170 -16.201 1.00 72.23 C ATOM 835 CD2 LEU A 53 -7.668 3.064 -15.766 1.00 30.14 C ATOM 0 H LEU A 53 -9.355 5.080 -18.965 1.00 14.31 H new ATOM 0 HA LEU A 53 -8.244 5.477 -16.462 1.00 13.53 H new ATOM 0 HB2 LEU A 53 -8.026 3.641 -18.435 1.00 65.43 H new ATOM 0 HB3 LEU A 53 -6.508 4.482 -18.678 1.00 65.43 H new ATOM 0 HG LEU A 53 -6.256 2.496 -17.259 1.00 61.14 H new ATOM 0 HD11 LEU A 53 -5.025 3.563 -15.411 1.00 72.23 H new ATOM 0 HD12 LEU A 53 -4.717 4.374 -16.965 1.00 72.23 H new ATOM 0 HD13 LEU A 53 -5.821 5.111 -15.780 1.00 72.23 H new ATOM 0 HD21 LEU A 53 -7.196 2.472 -14.982 1.00 30.14 H new ATOM 0 HD22 LEU A 53 -8.077 3.977 -15.334 1.00 30.14 H new ATOM 0 HD23 LEU A 53 -8.472 2.486 -16.223 1.00 30.14 H new ATOM 847 N PRO A 54 -6.634 7.348 -16.471 1.00 52.11 N ATOM 848 CA PRO A 54 -5.689 8.467 -16.412 1.00 62.14 C ATOM 849 C PRO A 54 -4.250 8.023 -16.652 1.00 23.14 C ATOM 850 O PRO A 54 -3.787 7.044 -16.067 1.00 20.10 O ATOM 851 CB PRO A 54 -5.855 8.997 -14.986 1.00 43.11 C ATOM 852 CG PRO A 54 -6.350 7.830 -14.203 1.00 51.34 C ATOM 853 CD PRO A 54 -7.199 7.027 -15.150 1.00 13.44 C ATOM 0 HA PRO A 54 -5.889 9.211 -17.183 1.00 62.14 H new ATOM 0 HB2 PRO A 54 -4.910 9.368 -14.589 1.00 43.11 H new ATOM 0 HB3 PRO A 54 -6.562 9.826 -14.951 1.00 43.11 H new ATOM 0 HG2 PRO A 54 -5.520 7.235 -13.822 1.00 51.34 H new ATOM 0 HG3 PRO A 54 -6.930 8.157 -13.340 1.00 51.34 H new ATOM 0 HD2 PRO A 54 -7.140 5.960 -14.936 1.00 13.44 H new ATOM 0 HD3 PRO A 54 -8.250 7.308 -15.084 1.00 13.44 H new ATOM 861 N ALA A 55 -3.547 8.750 -17.514 1.00 63.41 N ATOM 862 CA ALA A 55 -2.159 8.432 -17.828 1.00 73.32 C ATOM 863 C ALA A 55 -1.214 8.999 -16.774 1.00 71.54 C ATOM 864 O ALA A 55 -0.027 8.678 -16.755 1.00 63.53 O ATOM 865 CB ALA A 55 -1.795 8.963 -19.207 1.00 33.32 C ATOM 0 H ALA A 55 -3.916 9.563 -18.007 1.00 63.41 H new ATOM 0 HA ALA A 55 -2.052 7.347 -17.828 1.00 73.32 H new ATOM 0 HB1 ALA A 55 -0.756 8.719 -19.428 1.00 33.32 H new ATOM 0 HB2 ALA A 55 -2.443 8.506 -19.955 1.00 33.32 H new ATOM 0 HB3 ALA A 55 -1.925 10.045 -19.226 1.00 33.32 H new ATOM 871 N ASN A 56 -1.749 9.844 -15.899 1.00 73.24 N ATOM 872 CA ASN A 56 -0.952 10.456 -14.843 1.00 12.52 C ATOM 873 C ASN A 56 -0.807 9.512 -13.654 1.00 21.23 C ATOM 874 O ASN A 56 0.067 9.694 -12.806 1.00 41.11 O ATOM 875 CB ASN A 56 -1.592 11.770 -14.390 1.00 0.35 C ATOM 876 CG ASN A 56 -2.993 11.573 -13.843 1.00 61.03 C ATOM 877 OD1 ASN A 56 -3.968 11.564 -14.594 1.00 74.02 O ATOM 878 ND2 ASN A 56 -3.098 11.414 -12.529 1.00 74.11 N ATOM 0 H ASN A 56 -2.731 10.120 -15.901 1.00 73.24 H new ATOM 0 HA ASN A 56 0.041 10.661 -15.244 1.00 12.52 H new ATOM 0 HB2 ASN A 56 -0.967 12.230 -13.624 1.00 0.35 H new ATOM 0 HB3 ASN A 56 -1.627 12.463 -15.231 1.00 0.35 H new ATOM 0 HD21 ASN A 56 -4.015 11.277 -12.103 1.00 74.11 H new ATOM 0 HD22 ASN A 56 -2.262 11.429 -11.945 1.00 74.11 H new ATOM 885 N ASP A 57 -1.669 8.502 -13.599 1.00 3.35 N ATOM 886 CA ASP A 57 -1.636 7.527 -12.515 1.00 2.34 C ATOM 887 C ASP A 57 -2.063 6.149 -13.010 1.00 53.30 C ATOM 888 O ASP A 57 -2.965 6.029 -13.840 1.00 14.51 O ATOM 889 CB ASP A 57 -2.545 7.976 -11.369 1.00 63.40 C ATOM 890 CG ASP A 57 -1.781 8.206 -10.080 1.00 23.10 C ATOM 891 OD1 ASP A 57 -0.998 7.315 -9.686 1.00 54.33 O ATOM 892 OD2 ASP A 57 -1.964 9.277 -9.465 1.00 54.12 O ATOM 0 H ASP A 57 -2.399 8.337 -14.292 1.00 3.35 H new ATOM 0 HA ASP A 57 -0.611 7.460 -12.150 1.00 2.34 H new ATOM 0 HB2 ASP A 57 -3.056 8.895 -11.654 1.00 63.40 H new ATOM 0 HB3 ASP A 57 -3.314 7.222 -11.202 1.00 63.40 H new ATOM 897 N CYS A 58 -1.409 5.113 -12.497 1.00 75.02 N ATOM 898 CA CYS A 58 -1.720 3.743 -12.889 1.00 35.20 C ATOM 899 C CYS A 58 -2.994 3.258 -12.205 1.00 75.40 C ATOM 900 O CYS A 58 -3.250 3.582 -11.045 1.00 71.41 O ATOM 901 CB CYS A 58 -0.556 2.814 -12.542 1.00 43.33 C ATOM 902 SG CYS A 58 -1.055 1.267 -11.750 1.00 52.45 S ATOM 0 H CYS A 58 -0.660 5.195 -11.809 1.00 75.02 H new ATOM 0 HA CYS A 58 -1.879 3.727 -13.967 1.00 35.20 H new ATOM 0 HB2 CYS A 58 -0.007 2.582 -13.454 1.00 43.33 H new ATOM 0 HB3 CYS A 58 0.132 3.342 -11.882 1.00 43.33 H new ATOM 0 HG CYS A 58 -0.001 0.549 -11.498 1.00 52.45 H new ATOM 908 N ARG A 59 -3.791 2.481 -12.932 1.00 21.32 N ATOM 909 CA ARG A 59 -5.040 1.953 -12.396 1.00 51.31 C ATOM 910 C ARG A 59 -5.250 0.506 -12.832 1.00 14.13 C ATOM 911 O ARG A 59 -4.742 0.078 -13.868 1.00 44.52 O ATOM 912 CB ARG A 59 -6.220 2.812 -12.856 1.00 22.02 C ATOM 913 CG ARG A 59 -7.053 3.365 -11.711 1.00 70.12 C ATOM 914 CD ARG A 59 -6.810 4.853 -11.513 1.00 71.04 C ATOM 915 NE ARG A 59 -5.791 5.111 -10.500 1.00 12.25 N ATOM 916 CZ ARG A 59 -5.466 6.328 -10.078 1.00 1.12 C ATOM 917 NH1 ARG A 59 -6.077 7.393 -10.580 1.00 24.43 N ATOM 918 NH2 ARG A 59 -4.528 6.482 -9.152 1.00 11.13 N ATOM 0 H ARG A 59 -3.594 2.203 -13.893 1.00 21.32 H new ATOM 0 HA ARG A 59 -4.981 1.981 -11.308 1.00 51.31 H new ATOM 0 HB2 ARG A 59 -5.843 3.642 -13.454 1.00 22.02 H new ATOM 0 HB3 ARG A 59 -6.861 2.216 -13.506 1.00 22.02 H new ATOM 0 HG2 ARG A 59 -8.110 3.191 -11.912 1.00 70.12 H new ATOM 0 HG3 ARG A 59 -6.811 2.830 -10.792 1.00 70.12 H new ATOM 0 HD2 ARG A 59 -6.502 5.299 -12.459 1.00 71.04 H new ATOM 0 HD3 ARG A 59 -7.742 5.337 -11.221 1.00 71.04 H new ATOM 0 HE ARG A 59 -5.302 4.313 -10.094 1.00 12.25 H new ATOM 0 HH11 ARG A 59 -6.798 7.279 -11.292 1.00 24.43 H new ATOM 0 HH12 ARG A 59 -5.825 8.326 -10.254 1.00 24.43 H new ATOM 0 HH21 ARG A 59 -4.056 5.666 -8.764 1.00 11.13 H new ATOM 0 HH22 ARG A 59 -4.279 7.417 -8.829 1.00 11.13 H new ATOM 932 N PHE A 60 -6.003 -0.243 -12.033 1.00 61.40 N ATOM 933 CA PHE A 60 -6.279 -1.643 -12.335 1.00 34.11 C ATOM 934 C PHE A 60 -7.737 -1.833 -12.744 1.00 61.55 C ATOM 935 O PHE A 60 -8.650 -1.365 -12.066 1.00 51.22 O ATOM 936 CB PHE A 60 -5.960 -2.521 -11.123 1.00 45.02 C ATOM 937 CG PHE A 60 -6.235 -3.980 -11.350 1.00 54.24 C ATOM 938 CD1 PHE A 60 -7.535 -4.438 -11.497 1.00 64.14 C ATOM 939 CD2 PHE A 60 -5.195 -4.893 -11.416 1.00 54.04 C ATOM 940 CE1 PHE A 60 -7.792 -5.780 -11.707 1.00 10.10 C ATOM 941 CE2 PHE A 60 -5.447 -6.236 -11.626 1.00 44.31 C ATOM 942 CZ PHE A 60 -6.746 -6.680 -11.770 1.00 55.14 C ATOM 0 H PHE A 60 -6.433 0.096 -11.172 1.00 61.40 H new ATOM 0 HA PHE A 60 -5.643 -1.941 -13.169 1.00 34.11 H new ATOM 0 HB2 PHE A 60 -4.910 -2.394 -10.859 1.00 45.02 H new ATOM 0 HB3 PHE A 60 -6.547 -2.177 -10.271 1.00 45.02 H new ATOM 0 HD1 PHE A 60 -8.356 -3.739 -11.447 1.00 64.14 H new ATOM 0 HD2 PHE A 60 -4.177 -4.552 -11.302 1.00 54.04 H new ATOM 0 HE1 PHE A 60 -8.809 -6.124 -11.822 1.00 10.10 H new ATOM 0 HE2 PHE A 60 -4.628 -6.938 -11.677 1.00 44.31 H new ATOM 0 HZ PHE A 60 -6.944 -7.729 -11.932 1.00 55.14 H new ATOM 952 N GLY A 61 -7.946 -2.525 -13.861 1.00 34.03 N ATOM 953 CA GLY A 61 -9.294 -2.765 -14.343 1.00 20.13 C ATOM 954 C GLY A 61 -9.671 -4.233 -14.303 1.00 50.34 C ATOM 955 O GLY A 61 -8.803 -5.105 -14.330 1.00 21.21 O ATOM 0 H GLY A 61 -7.206 -2.923 -14.440 1.00 34.03 H new ATOM 0 HA2 GLY A 61 -10.000 -2.195 -13.738 1.00 20.13 H new ATOM 0 HA3 GLY A 61 -9.382 -2.398 -15.366 1.00 20.13 H new ATOM 959 N VAL A 62 -10.970 -4.507 -14.238 1.00 51.13 N ATOM 960 CA VAL A 62 -11.460 -5.879 -14.194 1.00 75.34 C ATOM 961 C VAL A 62 -12.541 -6.110 -15.244 1.00 74.44 C ATOM 962 O VAL A 62 -13.517 -5.363 -15.321 1.00 61.11 O ATOM 963 CB VAL A 62 -12.026 -6.229 -12.805 1.00 55.12 C ATOM 964 CG1 VAL A 62 -11.680 -7.662 -12.432 1.00 64.24 C ATOM 965 CG2 VAL A 62 -11.506 -5.256 -11.758 1.00 41.01 C ATOM 0 H VAL A 62 -11.702 -3.797 -14.215 1.00 51.13 H new ATOM 0 HA VAL A 62 -10.608 -6.526 -14.404 1.00 75.34 H new ATOM 0 HB VAL A 62 -13.112 -6.142 -12.842 1.00 55.12 H new ATOM 0 HG11 VAL A 62 -12.088 -7.890 -11.448 1.00 64.24 H new ATOM 0 HG12 VAL A 62 -12.106 -8.343 -13.169 1.00 64.24 H new ATOM 0 HG13 VAL A 62 -10.597 -7.781 -12.412 1.00 64.24 H new ATOM 0 HG21 VAL A 62 -11.916 -5.518 -10.783 1.00 41.01 H new ATOM 0 HG22 VAL A 62 -10.418 -5.309 -11.721 1.00 41.01 H new ATOM 0 HG23 VAL A 62 -11.811 -4.243 -12.020 1.00 41.01 H new ATOM 975 N TYR A 63 -12.362 -7.150 -16.051 1.00 63.22 N ATOM 976 CA TYR A 63 -13.321 -7.479 -17.099 1.00 21.41 C ATOM 977 C TYR A 63 -13.409 -8.989 -17.302 1.00 12.12 C ATOM 978 O TYR A 63 -12.445 -9.627 -17.724 1.00 22.44 O ATOM 979 CB TYR A 63 -12.928 -6.799 -18.411 1.00 62.23 C ATOM 980 CG TYR A 63 -11.937 -5.671 -18.236 1.00 3.15 C ATOM 981 CD1 TYR A 63 -10.570 -5.918 -18.209 1.00 21.10 C ATOM 982 CD2 TYR A 63 -12.368 -4.357 -18.097 1.00 24.21 C ATOM 983 CE1 TYR A 63 -9.661 -4.890 -18.048 1.00 31.33 C ATOM 984 CE2 TYR A 63 -11.466 -3.323 -17.937 1.00 1.23 C ATOM 985 CZ TYR A 63 -10.114 -3.595 -17.912 1.00 41.53 C ATOM 986 OH TYR A 63 -9.212 -2.568 -17.753 1.00 3.31 O ATOM 0 H TYR A 63 -11.561 -7.780 -15.999 1.00 63.22 H new ATOM 0 HA TYR A 63 -14.300 -7.114 -16.788 1.00 21.41 H new ATOM 0 HB2 TYR A 63 -12.502 -7.544 -19.083 1.00 62.23 H new ATOM 0 HB3 TYR A 63 -13.826 -6.411 -18.892 1.00 62.23 H new ATOM 0 HD1 TYR A 63 -10.212 -6.931 -18.316 1.00 21.10 H new ATOM 0 HD2 TYR A 63 -13.426 -4.141 -18.114 1.00 24.21 H new ATOM 0 HE1 TYR A 63 -8.602 -5.100 -18.029 1.00 31.33 H new ATOM 0 HE2 TYR A 63 -11.818 -2.307 -17.832 1.00 1.23 H new ATOM 0 HH TYR A 63 -9.010 -2.172 -18.626 1.00 3.31 H new ATOM 996 N ASP A 64 -14.573 -9.553 -16.999 1.00 54.51 N ATOM 997 CA ASP A 64 -14.790 -10.987 -17.149 1.00 55.23 C ATOM 998 C ASP A 64 -14.680 -11.403 -18.613 1.00 14.31 C ATOM 999 O ASP A 64 -15.613 -11.211 -19.395 1.00 22.44 O ATOM 1000 CB ASP A 64 -16.162 -11.377 -16.597 1.00 73.10 C ATOM 1001 CG ASP A 64 -16.130 -12.691 -15.842 1.00 22.23 C ATOM 1002 OD1 ASP A 64 -15.149 -12.928 -15.105 1.00 34.40 O ATOM 1003 OD2 ASP A 64 -17.085 -13.482 -15.986 1.00 71.05 O ATOM 0 H ASP A 64 -15.381 -9.039 -16.648 1.00 54.51 H new ATOM 0 HA ASP A 64 -14.018 -11.508 -16.583 1.00 55.23 H new ATOM 0 HB2 ASP A 64 -16.521 -10.589 -15.935 1.00 73.10 H new ATOM 0 HB3 ASP A 64 -16.874 -11.451 -17.419 1.00 73.10 H new ATOM 1008 N CYS A 65 -13.536 -11.971 -18.977 1.00 11.34 N ATOM 1009 CA CYS A 65 -13.303 -12.412 -20.347 1.00 73.02 C ATOM 1010 C CYS A 65 -13.965 -13.762 -20.604 1.00 30.15 C ATOM 1011 O CYS A 65 -13.975 -14.256 -21.730 1.00 64.31 O ATOM 1012 CB CYS A 65 -11.803 -12.505 -20.627 1.00 44.42 C ATOM 1013 SG CYS A 65 -10.898 -10.970 -20.317 1.00 62.14 S ATOM 0 H CYS A 65 -12.755 -12.137 -18.342 1.00 11.34 H new ATOM 0 HA CYS A 65 -13.746 -11.677 -21.019 1.00 73.02 H new ATOM 0 HB2 CYS A 65 -11.377 -13.296 -20.010 1.00 44.42 H new ATOM 0 HB3 CYS A 65 -11.656 -12.798 -21.667 1.00 44.42 H new ATOM 0 HG CYS A 65 -11.416 -10.360 -19.292 1.00 62.14 H new ATOM 1019 N GLY A 66 -14.517 -14.355 -19.549 1.00 4.12 N ATOM 1020 CA GLY A 66 -15.171 -15.643 -19.680 1.00 73.42 C ATOM 1021 C GLY A 66 -14.268 -16.795 -19.287 1.00 61.45 C ATOM 1022 O GLY A 66 -14.730 -17.799 -18.746 1.00 53.24 O ATOM 0 H GLY A 66 -14.522 -13.966 -18.606 1.00 4.12 H new ATOM 0 HA2 GLY A 66 -16.065 -15.658 -19.057 1.00 73.42 H new ATOM 0 HA3 GLY A 66 -15.498 -15.777 -20.711 1.00 73.42 H new ATOM 1026 N ASN A 67 -12.975 -16.652 -19.562 1.00 74.10 N ATOM 1027 CA ASN A 67 -12.005 -17.691 -19.236 1.00 1.34 C ATOM 1028 C ASN A 67 -10.982 -17.181 -18.225 1.00 61.00 C ATOM 1029 O ASN A 67 -10.308 -17.966 -17.557 1.00 12.41 O ATOM 1030 CB ASN A 67 -11.293 -18.168 -20.503 1.00 24.54 C ATOM 1031 CG ASN A 67 -11.990 -19.351 -21.147 1.00 53.53 C ATOM 1032 OD1 ASN A 67 -12.833 -19.183 -22.029 1.00 11.21 O ATOM 1033 ND2 ASN A 67 -11.641 -20.554 -20.709 1.00 34.51 N ATOM 0 H ASN A 67 -12.575 -15.827 -20.010 1.00 74.10 H new ATOM 0 HA ASN A 67 -12.542 -18.529 -18.792 1.00 1.34 H new ATOM 0 HB2 ASN A 67 -11.241 -17.347 -21.218 1.00 24.54 H new ATOM 0 HB3 ASN A 67 -10.267 -18.443 -20.258 1.00 24.54 H new ATOM 0 HD21 ASN A 67 -12.076 -21.387 -21.105 1.00 34.51 H new ATOM 0 HD22 ASN A 67 -10.938 -20.646 -19.976 1.00 34.51 H new ATOM 1040 N LYS A 68 -10.871 -15.861 -18.118 1.00 32.32 N ATOM 1041 CA LYS A 68 -9.932 -15.245 -17.188 1.00 15.21 C ATOM 1042 C LYS A 68 -10.179 -13.743 -17.082 1.00 21.25 C ATOM 1043 O LYS A 68 -11.056 -13.200 -17.754 1.00 2.22 O ATOM 1044 CB LYS A 68 -8.493 -15.505 -17.637 1.00 22.54 C ATOM 1045 CG LYS A 68 -8.126 -14.813 -18.938 1.00 75.20 C ATOM 1046 CD LYS A 68 -8.617 -15.597 -20.144 1.00 12.22 C ATOM 1047 CE LYS A 68 -9.505 -14.745 -21.038 1.00 61.13 C ATOM 1048 NZ LYS A 68 -9.214 -14.967 -22.482 1.00 4.12 N ATOM 0 H LYS A 68 -11.420 -15.197 -18.664 1.00 32.32 H new ATOM 0 HA LYS A 68 -10.086 -15.692 -16.206 1.00 15.21 H new ATOM 0 HB2 LYS A 68 -7.812 -15.173 -16.854 1.00 22.54 H new ATOM 0 HB3 LYS A 68 -8.346 -16.579 -17.753 1.00 22.54 H new ATOM 0 HG2 LYS A 68 -8.557 -13.812 -18.953 1.00 75.20 H new ATOM 0 HG3 LYS A 68 -7.044 -14.695 -18.996 1.00 75.20 H new ATOM 0 HD2 LYS A 68 -7.763 -15.959 -20.716 1.00 12.22 H new ATOM 0 HD3 LYS A 68 -9.171 -16.474 -19.809 1.00 12.22 H new ATOM 0 HE2 LYS A 68 -10.551 -14.977 -20.838 1.00 61.13 H new ATOM 0 HE3 LYS A 68 -9.361 -13.692 -20.796 1.00 61.13 H new ATOM 0 HZ1 LYS A 68 -9.840 -14.369 -23.058 1.00 4.12 H new ATOM 0 HZ2 LYS A 68 -8.223 -14.721 -22.678 1.00 4.12 H new ATOM 0 HZ3 LYS A 68 -9.376 -15.967 -22.719 1.00 4.12 H new ATOM 1062 N ILE A 69 -9.400 -13.079 -16.235 1.00 3.12 N ATOM 1063 CA ILE A 69 -9.533 -11.640 -16.043 1.00 65.15 C ATOM 1064 C ILE A 69 -8.294 -10.903 -16.542 1.00 13.43 C ATOM 1065 O ILE A 69 -7.270 -10.860 -15.861 1.00 30.02 O ATOM 1066 CB ILE A 69 -9.764 -11.288 -14.562 1.00 74.21 C ATOM 1067 CG1 ILE A 69 -10.901 -12.135 -13.986 1.00 22.40 C ATOM 1068 CG2 ILE A 69 -10.073 -9.806 -14.412 1.00 2.01 C ATOM 1069 CD1 ILE A 69 -12.128 -12.181 -14.869 1.00 12.10 C ATOM 0 H ILE A 69 -8.670 -13.514 -15.671 1.00 3.12 H new ATOM 0 HA ILE A 69 -10.400 -11.323 -16.622 1.00 65.15 H new ATOM 0 HB ILE A 69 -8.853 -11.508 -14.005 1.00 74.21 H new ATOM 0 HG12 ILE A 69 -10.541 -13.151 -13.825 1.00 22.40 H new ATOM 0 HG13 ILE A 69 -11.180 -11.738 -13.010 1.00 22.40 H new ATOM 0 HG21 ILE A 69 -10.234 -9.573 -13.360 1.00 2.01 H new ATOM 0 HG22 ILE A 69 -9.235 -9.220 -14.790 1.00 2.01 H new ATOM 0 HG23 ILE A 69 -10.971 -9.562 -14.979 1.00 2.01 H new ATOM 0 HD11 ILE A 69 -12.892 -12.799 -14.398 1.00 12.10 H new ATOM 0 HD12 ILE A 69 -12.513 -11.171 -15.009 1.00 12.10 H new ATOM 0 HD13 ILE A 69 -11.864 -12.606 -15.837 1.00 12.10 H new ATOM 1081 N GLN A 70 -8.397 -10.322 -17.733 1.00 33.02 N ATOM 1082 CA GLN A 70 -7.285 -9.585 -18.322 1.00 15.15 C ATOM 1083 C GLN A 70 -7.173 -8.191 -17.712 1.00 24.51 C ATOM 1084 O GLN A 70 -7.980 -7.308 -18.002 1.00 31.41 O ATOM 1085 CB GLN A 70 -7.462 -9.479 -19.837 1.00 51.52 C ATOM 1086 CG GLN A 70 -6.152 -9.327 -20.593 1.00 60.43 C ATOM 1087 CD GLN A 70 -6.263 -8.377 -21.769 1.00 50.10 C ATOM 1088 OE1 GLN A 70 -6.434 -7.170 -21.593 1.00 24.23 O ATOM 1089 NE2 GLN A 70 -6.166 -8.917 -22.978 1.00 54.13 N ATOM 0 H GLN A 70 -9.239 -10.347 -18.309 1.00 33.02 H new ATOM 0 HA GLN A 70 -6.366 -10.130 -18.108 1.00 15.15 H new ATOM 0 HB2 GLN A 70 -7.979 -10.369 -20.197 1.00 51.52 H new ATOM 0 HB3 GLN A 70 -8.102 -8.626 -20.061 1.00 51.52 H new ATOM 0 HG2 GLN A 70 -5.383 -8.966 -19.910 1.00 60.43 H new ATOM 0 HG3 GLN A 70 -5.828 -10.304 -20.950 1.00 60.43 H new ATOM 0 HE21 GLN A 70 -6.024 -9.922 -23.078 1.00 54.13 H new ATOM 0 HE22 GLN A 70 -6.233 -8.327 -23.807 1.00 54.13 H new ATOM 1098 N PHE A 71 -6.166 -8.001 -16.865 1.00 71.23 N ATOM 1099 CA PHE A 71 -5.948 -6.715 -16.213 1.00 73.13 C ATOM 1100 C PHE A 71 -4.698 -6.033 -16.760 1.00 42.12 C ATOM 1101 O PHE A 71 -3.655 -6.665 -16.929 1.00 72.40 O ATOM 1102 CB PHE A 71 -5.821 -6.902 -14.700 1.00 4.20 C ATOM 1103 CG PHE A 71 -4.556 -7.598 -14.286 1.00 64.05 C ATOM 1104 CD1 PHE A 71 -4.499 -8.981 -14.225 1.00 62.11 C ATOM 1105 CD2 PHE A 71 -3.423 -6.870 -13.960 1.00 12.43 C ATOM 1106 CE1 PHE A 71 -3.336 -9.624 -13.844 1.00 72.12 C ATOM 1107 CE2 PHE A 71 -2.258 -7.507 -13.578 1.00 64.24 C ATOM 1108 CZ PHE A 71 -2.214 -8.886 -13.522 1.00 21.44 C ATOM 0 H PHE A 71 -5.489 -8.721 -16.614 1.00 71.23 H new ATOM 0 HA PHE A 71 -6.808 -6.079 -16.422 1.00 73.13 H new ATOM 0 HB2 PHE A 71 -5.864 -5.926 -14.216 1.00 4.20 H new ATOM 0 HB3 PHE A 71 -6.676 -7.474 -14.340 1.00 4.20 H new ATOM 0 HD1 PHE A 71 -5.373 -9.563 -14.478 1.00 62.11 H new ATOM 0 HD2 PHE A 71 -3.451 -5.791 -14.005 1.00 12.43 H new ATOM 0 HE1 PHE A 71 -3.305 -10.703 -13.798 1.00 72.12 H new ATOM 0 HE2 PHE A 71 -1.383 -6.927 -13.324 1.00 64.24 H new ATOM 0 HZ PHE A 71 -1.304 -9.387 -13.227 1.00 21.44 H new ATOM 1118 N VAL A 72 -4.810 -4.737 -17.036 1.00 74.40 N ATOM 1119 CA VAL A 72 -3.690 -3.968 -17.563 1.00 41.15 C ATOM 1120 C VAL A 72 -3.561 -2.626 -16.851 1.00 60.12 C ATOM 1121 O VAL A 72 -4.558 -1.955 -16.583 1.00 53.31 O ATOM 1122 CB VAL A 72 -3.841 -3.721 -19.076 1.00 71.13 C ATOM 1123 CG1 VAL A 72 -4.024 -5.037 -19.816 1.00 70.35 C ATOM 1124 CG2 VAL A 72 -5.005 -2.781 -19.349 1.00 14.45 C ATOM 0 H VAL A 72 -5.666 -4.198 -16.903 1.00 74.40 H new ATOM 0 HA VAL A 72 -2.791 -4.558 -17.386 1.00 41.15 H new ATOM 0 HB VAL A 72 -2.929 -3.249 -19.442 1.00 71.13 H new ATOM 0 HG11 VAL A 72 -4.129 -4.843 -20.883 1.00 70.35 H new ATOM 0 HG12 VAL A 72 -3.155 -5.673 -19.647 1.00 70.35 H new ATOM 0 HG13 VAL A 72 -4.919 -5.539 -19.449 1.00 70.35 H new ATOM 0 HG21 VAL A 72 -5.097 -2.618 -20.423 1.00 14.45 H new ATOM 0 HG22 VAL A 72 -5.926 -3.223 -18.969 1.00 14.45 H new ATOM 0 HG23 VAL A 72 -4.827 -1.828 -18.851 1.00 14.45 H new ATOM 1134 N LEU A 73 -2.327 -2.240 -16.547 1.00 63.33 N ATOM 1135 CA LEU A 73 -2.066 -0.977 -15.866 1.00 10.01 C ATOM 1136 C LEU A 73 -0.686 -0.438 -16.228 1.00 41.40 C ATOM 1137 O LEU A 73 0.327 -0.886 -15.690 1.00 52.54 O ATOM 1138 CB LEU A 73 -2.173 -1.160 -14.351 1.00 71.40 C ATOM 1139 CG LEU A 73 -1.102 -2.039 -13.704 1.00 2.21 C ATOM 1140 CD1 LEU A 73 -1.534 -2.469 -12.311 1.00 34.40 C ATOM 1141 CD2 LEU A 73 -0.811 -3.253 -14.573 1.00 72.34 C ATOM 0 H LEU A 73 -1.491 -2.784 -16.761 1.00 63.33 H new ATOM 0 HA LEU A 73 -2.815 -0.255 -16.193 1.00 10.01 H new ATOM 0 HB2 LEU A 73 -2.139 -0.176 -13.883 1.00 71.40 H new ATOM 0 HB3 LEU A 73 -3.150 -1.587 -14.125 1.00 71.40 H new ATOM 0 HG LEU A 73 -0.186 -1.455 -13.614 1.00 2.21 H new ATOM 0 HD11 LEU A 73 -0.759 -3.094 -11.866 1.00 34.40 H new ATOM 0 HD12 LEU A 73 -1.690 -1.587 -11.690 1.00 34.40 H new ATOM 0 HD13 LEU A 73 -2.463 -3.035 -12.377 1.00 34.40 H new ATOM 0 HD21 LEU A 73 -0.047 -3.867 -14.097 1.00 72.34 H new ATOM 0 HD22 LEU A 73 -1.722 -3.839 -14.696 1.00 72.34 H new ATOM 0 HD23 LEU A 73 -0.456 -2.925 -15.550 1.00 72.34 H new ATOM 1153 N TRP A 74 -0.654 0.527 -17.140 1.00 74.02 N ATOM 1154 CA TRP A 74 0.602 1.129 -17.572 1.00 53.24 C ATOM 1155 C TRP A 74 1.059 2.200 -16.588 1.00 51.23 C ATOM 1156 O TRP A 74 0.313 3.130 -16.277 1.00 71.44 O ATOM 1157 CB TRP A 74 0.447 1.734 -18.969 1.00 1.55 C ATOM 1158 CG TRP A 74 -0.654 2.748 -19.058 1.00 63.31 C ATOM 1159 CD1 TRP A 74 -0.548 4.093 -18.850 1.00 0.32 C ATOM 1160 CD2 TRP A 74 -2.026 2.496 -19.378 1.00 33.34 C ATOM 1161 NE1 TRP A 74 -1.772 4.693 -19.020 1.00 75.05 N ATOM 1162 CE2 TRP A 74 -2.696 3.735 -19.346 1.00 23.34 C ATOM 1163 CE3 TRP A 74 -2.755 1.345 -19.690 1.00 23.34 C ATOM 1164 CZ2 TRP A 74 -4.057 3.852 -19.613 1.00 12.05 C ATOM 1165 CZ3 TRP A 74 -4.106 1.463 -19.954 1.00 21.30 C ATOM 1166 CH2 TRP A 74 -4.746 2.709 -19.915 1.00 23.20 C ATOM 0 H TRP A 74 -1.483 0.909 -17.595 1.00 74.02 H new ATOM 0 HA TRP A 74 1.360 0.346 -17.605 1.00 53.24 H new ATOM 0 HB2 TRP A 74 1.387 2.202 -19.261 1.00 1.55 H new ATOM 0 HB3 TRP A 74 0.254 0.934 -19.684 1.00 1.55 H new ATOM 0 HD1 TRP A 74 0.364 4.609 -18.590 1.00 0.32 H new ATOM 0 HE1 TRP A 74 -1.962 5.690 -18.920 1.00 75.05 H new ATOM 0 HE3 TRP A 74 -2.271 0.380 -19.724 1.00 23.34 H new ATOM 0 HZ2 TRP A 74 -4.552 4.811 -19.583 1.00 12.05 H new ATOM 0 HZ3 TRP A 74 -4.679 0.580 -20.195 1.00 21.30 H new ATOM 0 HH2 TRP A 74 -5.803 2.768 -20.127 1.00 23.20 H new ATOM 1177 N CYS A 75 2.287 2.065 -16.102 1.00 24.33 N ATOM 1178 CA CYS A 75 2.843 3.022 -15.152 1.00 24.34 C ATOM 1179 C CYS A 75 2.737 4.445 -15.689 1.00 0.35 C ATOM 1180 O CYS A 75 3.006 4.715 -16.859 1.00 41.22 O ATOM 1181 CB CYS A 75 4.305 2.684 -14.852 1.00 52.43 C ATOM 1182 SG CYS A 75 4.569 0.990 -14.279 1.00 71.14 S ATOM 0 H CYS A 75 2.917 1.302 -16.350 1.00 24.33 H new ATOM 0 HA CYS A 75 2.266 2.958 -14.229 1.00 24.34 H new ATOM 0 HB2 CYS A 75 4.897 2.848 -15.753 1.00 52.43 H new ATOM 0 HB3 CYS A 75 4.678 3.374 -14.096 1.00 52.43 H new ATOM 0 HG CYS A 75 5.814 0.661 -14.456 1.00 71.14 H new ATOM 1188 N PRO A 76 2.334 5.379 -14.814 1.00 54.02 N ATOM 1189 CA PRO A 76 2.181 6.791 -15.178 1.00 71.21 C ATOM 1190 C PRO A 76 3.521 7.471 -15.436 1.00 0.20 C ATOM 1191 O PRO A 76 4.534 7.117 -14.833 1.00 21.40 O ATOM 1192 CB PRO A 76 1.499 7.401 -13.952 1.00 15.55 C ATOM 1193 CG PRO A 76 1.883 6.511 -12.821 1.00 63.42 C ATOM 1194 CD PRO A 76 1.996 5.129 -13.403 1.00 32.40 C ATOM 0 HA PRO A 76 1.617 6.915 -16.102 1.00 71.21 H new ATOM 0 HB2 PRO A 76 1.834 8.424 -13.781 1.00 15.55 H new ATOM 0 HB3 PRO A 76 0.417 7.436 -14.078 1.00 15.55 H new ATOM 0 HG2 PRO A 76 2.828 6.827 -12.379 1.00 63.42 H new ATOM 0 HG3 PRO A 76 1.135 6.541 -12.029 1.00 63.42 H new ATOM 0 HD2 PRO A 76 2.768 4.544 -12.903 1.00 32.40 H new ATOM 0 HD3 PRO A 76 1.063 4.575 -13.306 1.00 32.40 H new ATOM 1202 N ASP A 77 3.519 8.450 -16.334 1.00 62.45 N ATOM 1203 CA ASP A 77 4.735 9.181 -16.671 1.00 1.01 C ATOM 1204 C ASP A 77 4.909 10.394 -15.762 1.00 30.31 C ATOM 1205 O ASP A 77 5.857 11.163 -15.912 1.00 53.42 O ATOM 1206 CB ASP A 77 4.700 9.626 -18.134 1.00 20.41 C ATOM 1207 CG ASP A 77 6.082 9.682 -18.755 1.00 73.53 C ATOM 1208 OD1 ASP A 77 6.740 10.737 -18.643 1.00 72.35 O ATOM 1209 OD2 ASP A 77 6.505 8.670 -19.354 1.00 53.43 O ATOM 0 H ASP A 77 2.689 8.756 -16.842 1.00 62.45 H new ATOM 0 HA ASP A 77 5.584 8.513 -16.523 1.00 1.01 H new ATOM 0 HB2 ASP A 77 4.076 8.939 -18.705 1.00 20.41 H new ATOM 0 HB3 ASP A 77 4.235 10.609 -18.201 1.00 20.41 H new ATOM 1214 N ASN A 78 3.986 10.557 -14.819 1.00 44.32 N ATOM 1215 CA ASN A 78 4.037 11.678 -13.887 1.00 32.53 C ATOM 1216 C ASN A 78 4.746 11.279 -12.596 1.00 43.41 C ATOM 1217 O ASN A 78 5.385 12.107 -11.946 1.00 60.43 O ATOM 1218 CB ASN A 78 2.623 12.171 -13.573 1.00 50.23 C ATOM 1219 CG ASN A 78 2.601 13.185 -12.446 1.00 4.31 C ATOM 1220 OD1 ASN A 78 3.556 13.939 -12.256 1.00 53.51 O ATOM 1221 ND2 ASN A 78 1.509 13.207 -11.691 1.00 50.41 N ATOM 0 H ASN A 78 3.195 9.928 -14.680 1.00 44.32 H new ATOM 0 HA ASN A 78 4.600 12.484 -14.357 1.00 32.53 H new ATOM 0 HB2 ASN A 78 2.190 12.617 -14.468 1.00 50.23 H new ATOM 0 HB3 ASN A 78 1.996 11.321 -13.305 1.00 50.23 H new ATOM 0 HD21 ASN A 78 1.437 13.867 -10.917 1.00 50.41 H new ATOM 0 HD22 ASN A 78 0.742 12.564 -11.885 1.00 50.41 H new ATOM 1228 N ALA A 79 4.630 10.007 -12.231 1.00 74.25 N ATOM 1229 CA ALA A 79 5.262 9.498 -11.021 1.00 34.04 C ATOM 1230 C ALA A 79 4.976 8.012 -10.835 1.00 34.31 C ATOM 1231 O ALA A 79 4.192 7.608 -9.975 1.00 41.31 O ATOM 1232 CB ALA A 79 4.787 10.284 -9.807 1.00 43.34 C ATOM 0 H ALA A 79 4.103 9.309 -12.757 1.00 74.25 H new ATOM 0 HA ALA A 79 6.340 9.624 -11.124 1.00 34.04 H new ATOM 0 HB1 ALA A 79 5.267 9.893 -8.910 1.00 43.34 H new ATOM 0 HB2 ALA A 79 5.048 11.335 -9.929 1.00 43.34 H new ATOM 0 HB3 ALA A 79 3.706 10.187 -9.711 1.00 43.34 H new ATOM 1238 N PRO A 80 5.624 7.176 -11.660 1.00 20.13 N ATOM 1239 CA PRO A 80 5.455 5.721 -11.606 1.00 31.24 C ATOM 1240 C PRO A 80 6.067 5.112 -10.349 1.00 4.43 C ATOM 1241 O PRO A 80 5.637 4.056 -9.885 1.00 1.32 O ATOM 1242 CB PRO A 80 6.196 5.231 -12.852 1.00 54.04 C ATOM 1243 CG PRO A 80 7.204 6.291 -13.135 1.00 31.33 C ATOM 1244 CD PRO A 80 6.573 7.587 -12.708 1.00 53.22 C ATOM 0 HA PRO A 80 4.404 5.434 -11.578 1.00 31.24 H new ATOM 0 HB2 PRO A 80 6.674 4.267 -12.675 1.00 54.04 H new ATOM 0 HB3 PRO A 80 5.514 5.099 -13.692 1.00 54.04 H new ATOM 0 HG2 PRO A 80 8.128 6.107 -12.586 1.00 31.33 H new ATOM 0 HG3 PRO A 80 7.461 6.312 -14.194 1.00 31.33 H new ATOM 0 HD2 PRO A 80 7.315 8.288 -12.326 1.00 53.22 H new ATOM 0 HD3 PRO A 80 6.066 8.080 -13.538 1.00 53.22 H new ATOM 1252 N VAL A 81 7.074 5.786 -9.801 1.00 63.40 N ATOM 1253 CA VAL A 81 7.745 5.312 -8.596 1.00 62.23 C ATOM 1254 C VAL A 81 6.737 4.954 -7.510 1.00 53.33 C ATOM 1255 O VAL A 81 7.018 4.141 -6.630 1.00 34.31 O ATOM 1256 CB VAL A 81 8.723 6.367 -8.046 1.00 51.24 C ATOM 1257 CG1 VAL A 81 8.004 7.685 -7.801 1.00 51.01 C ATOM 1258 CG2 VAL A 81 9.385 5.866 -6.772 1.00 1.53 C ATOM 0 H VAL A 81 7.443 6.662 -10.172 1.00 63.40 H new ATOM 0 HA VAL A 81 8.305 4.420 -8.876 1.00 62.23 H new ATOM 0 HB VAL A 81 9.502 6.538 -8.789 1.00 51.24 H new ATOM 0 HG11 VAL A 81 8.711 8.418 -7.413 1.00 51.01 H new ATOM 0 HG12 VAL A 81 7.582 8.049 -8.738 1.00 51.01 H new ATOM 0 HG13 VAL A 81 7.203 7.534 -7.077 1.00 51.01 H new ATOM 0 HG21 VAL A 81 10.073 6.624 -6.397 1.00 1.53 H new ATOM 0 HG22 VAL A 81 8.622 5.665 -6.020 1.00 1.53 H new ATOM 0 HG23 VAL A 81 9.936 4.950 -6.984 1.00 1.53 H new ATOM 1268 N LYS A 82 5.560 5.567 -7.578 1.00 50.54 N ATOM 1269 CA LYS A 82 4.507 5.314 -6.602 1.00 72.35 C ATOM 1270 C LYS A 82 3.777 4.011 -6.916 1.00 0.43 C ATOM 1271 O LYS A 82 3.840 3.040 -6.162 1.00 35.01 O ATOM 1272 CB LYS A 82 3.512 6.476 -6.582 1.00 14.14 C ATOM 1273 CG LYS A 82 3.636 7.361 -5.353 1.00 75.13 C ATOM 1274 CD LYS A 82 2.752 6.868 -4.219 1.00 64.24 C ATOM 1275 CE LYS A 82 2.983 7.667 -2.946 1.00 34.22 C ATOM 1276 NZ LYS A 82 2.205 8.936 -2.939 1.00 55.52 N ATOM 0 H LYS A 82 5.311 6.243 -8.300 1.00 50.54 H new ATOM 0 HA LYS A 82 4.970 5.224 -5.619 1.00 72.35 H new ATOM 0 HB2 LYS A 82 3.659 7.085 -7.474 1.00 14.14 H new ATOM 0 HB3 LYS A 82 2.499 6.077 -6.632 1.00 14.14 H new ATOM 0 HG2 LYS A 82 4.675 7.383 -5.023 1.00 75.13 H new ATOM 0 HG3 LYS A 82 3.362 8.384 -5.611 1.00 75.13 H new ATOM 0 HD2 LYS A 82 1.705 6.944 -4.513 1.00 64.24 H new ATOM 0 HD3 LYS A 82 2.954 5.814 -4.030 1.00 64.24 H new ATOM 0 HE2 LYS A 82 2.702 7.064 -2.083 1.00 34.22 H new ATOM 0 HE3 LYS A 82 4.045 7.891 -2.846 1.00 34.22 H new ATOM 0 HZ1 LYS A 82 2.390 9.452 -2.055 1.00 55.52 H new ATOM 0 HZ2 LYS A 82 2.491 9.523 -3.748 1.00 55.52 H new ATOM 0 HZ3 LYS A 82 1.190 8.721 -3.009 1.00 55.52 H new ATOM 1290 N PRO A 83 3.069 3.988 -8.055 1.00 22.12 N ATOM 1291 CA PRO A 83 2.316 2.810 -8.494 1.00 72.34 C ATOM 1292 C PRO A 83 3.228 1.665 -8.923 1.00 13.15 C ATOM 1293 O PRO A 83 3.093 0.539 -8.443 1.00 50.13 O ATOM 1294 CB PRO A 83 1.512 3.328 -9.689 1.00 53.42 C ATOM 1295 CG PRO A 83 2.300 4.483 -10.204 1.00 22.20 C ATOM 1296 CD PRO A 83 2.950 5.109 -9.001 1.00 42.55 C ATOM 0 HA PRO A 83 1.700 2.399 -7.694 1.00 72.34 H new ATOM 0 HB2 PRO A 83 1.395 2.558 -10.451 1.00 53.42 H new ATOM 0 HB3 PRO A 83 0.510 3.635 -9.389 1.00 53.42 H new ATOM 0 HG2 PRO A 83 3.048 4.155 -10.925 1.00 22.20 H new ATOM 0 HG3 PRO A 83 1.656 5.198 -10.716 1.00 22.20 H new ATOM 0 HD2 PRO A 83 3.924 5.533 -9.246 1.00 42.55 H new ATOM 0 HD3 PRO A 83 2.344 5.917 -8.592 1.00 42.55 H new ATOM 1304 N ARG A 84 4.156 1.961 -9.827 1.00 32.53 N ATOM 1305 CA ARG A 84 5.090 0.955 -10.320 1.00 14.33 C ATOM 1306 C ARG A 84 5.697 0.165 -9.165 1.00 21.34 C ATOM 1307 O ARG A 84 6.046 -1.006 -9.316 1.00 42.55 O ATOM 1308 CB ARG A 84 6.200 1.617 -11.138 1.00 53.31 C ATOM 1309 CG ARG A 84 7.076 0.628 -11.889 1.00 33.22 C ATOM 1310 CD ARG A 84 8.294 0.230 -11.070 1.00 71.34 C ATOM 1311 NE ARG A 84 9.458 1.054 -11.385 1.00 13.02 N ATOM 1312 CZ ARG A 84 10.191 0.902 -12.482 1.00 10.40 C ATOM 1313 NH1 ARG A 84 9.882 -0.037 -13.365 1.00 61.01 N ATOM 1314 NH2 ARG A 84 11.235 1.692 -12.698 1.00 24.22 N ATOM 0 H ARG A 84 4.281 2.888 -10.233 1.00 32.53 H new ATOM 0 HA ARG A 84 4.539 0.265 -10.959 1.00 14.33 H new ATOM 0 HB2 ARG A 84 5.751 2.307 -11.852 1.00 53.31 H new ATOM 0 HB3 ARG A 84 6.826 2.211 -10.472 1.00 53.31 H new ATOM 0 HG2 ARG A 84 6.495 -0.261 -12.135 1.00 33.22 H new ATOM 0 HG3 ARG A 84 7.398 1.069 -12.832 1.00 33.22 H new ATOM 0 HD2 ARG A 84 8.062 0.320 -10.009 1.00 71.34 H new ATOM 0 HD3 ARG A 84 8.530 -0.818 -11.257 1.00 71.34 H new ATOM 0 HE ARG A 84 9.722 1.786 -10.726 1.00 13.02 H new ATOM 0 HH11 ARG A 84 9.079 -0.645 -13.203 1.00 61.01 H new ATOM 0 HH12 ARG A 84 10.447 -0.151 -14.207 1.00 61.01 H new ATOM 0 HH21 ARG A 84 11.475 2.417 -12.021 1.00 24.22 H new ATOM 0 HH22 ARG A 84 11.798 1.575 -13.541 1.00 24.22 H new ATOM 1328 N MET A 85 5.820 0.813 -8.011 1.00 24.11 N ATOM 1329 CA MET A 85 6.385 0.170 -6.830 1.00 61.21 C ATOM 1330 C MET A 85 5.298 -0.525 -6.017 1.00 74.42 C ATOM 1331 O MET A 85 5.409 -1.709 -5.695 1.00 41.12 O ATOM 1332 CB MET A 85 7.109 1.199 -5.960 1.00 23.11 C ATOM 1333 CG MET A 85 8.447 1.642 -6.529 1.00 42.23 C ATOM 1334 SD MET A 85 9.712 0.362 -6.409 1.00 55.24 S ATOM 1335 CE MET A 85 11.143 1.341 -5.961 1.00 51.12 C ATOM 0 H MET A 85 5.536 1.782 -7.869 1.00 24.11 H new ATOM 0 HA MET A 85 7.101 -0.581 -7.164 1.00 61.21 H new ATOM 0 HB2 MET A 85 6.469 2.073 -5.836 1.00 23.11 H new ATOM 0 HB3 MET A 85 7.267 0.777 -4.968 1.00 23.11 H new ATOM 0 HG2 MET A 85 8.318 1.923 -7.574 1.00 42.23 H new ATOM 0 HG3 MET A 85 8.786 2.533 -5.999 1.00 42.23 H new ATOM 0 HE1 MET A 85 12.009 0.689 -5.850 1.00 51.12 H new ATOM 0 HE2 MET A 85 11.340 2.076 -6.741 1.00 51.12 H new ATOM 0 HE3 MET A 85 10.952 1.854 -5.019 1.00 51.12 H new ATOM 1345 N THR A 86 4.245 0.217 -5.687 1.00 43.14 N ATOM 1346 CA THR A 86 3.139 -0.328 -4.911 1.00 53.50 C ATOM 1347 C THR A 86 2.471 -1.485 -5.643 1.00 74.55 C ATOM 1348 O THR A 86 2.468 -2.619 -5.162 1.00 1.41 O ATOM 1349 CB THR A 86 2.082 0.751 -4.607 1.00 33.24 C ATOM 1350 OG1 THR A 86 2.702 1.885 -3.991 1.00 42.25 O ATOM 1351 CG2 THR A 86 0.997 0.202 -3.692 1.00 54.14 C ATOM 0 H THR A 86 4.136 1.198 -5.946 1.00 43.14 H new ATOM 0 HA THR A 86 3.559 -0.690 -3.973 1.00 53.50 H new ATOM 0 HB THR A 86 1.624 1.055 -5.548 1.00 33.24 H new ATOM 0 HG1 THR A 86 3.128 2.439 -4.678 1.00 42.25 H new ATOM 0 HG21 THR A 86 0.262 0.981 -3.491 1.00 54.14 H new ATOM 0 HG22 THR A 86 0.507 -0.643 -4.175 1.00 54.14 H new ATOM 0 HG23 THR A 86 1.444 -0.126 -2.753 1.00 54.14 H new ATOM 1359 N TYR A 87 1.905 -1.194 -6.810 1.00 24.13 N ATOM 1360 CA TYR A 87 1.232 -2.212 -7.608 1.00 42.42 C ATOM 1361 C TYR A 87 2.137 -3.421 -7.824 1.00 74.12 C ATOM 1362 O TYR A 87 1.661 -4.536 -8.034 1.00 72.35 O ATOM 1363 CB TYR A 87 0.807 -1.632 -8.958 1.00 15.50 C ATOM 1364 CG TYR A 87 1.490 -2.282 -10.139 1.00 60.23 C ATOM 1365 CD1 TYR A 87 1.006 -3.466 -10.682 1.00 13.10 C ATOM 1366 CD2 TYR A 87 2.620 -1.712 -10.713 1.00 72.45 C ATOM 1367 CE1 TYR A 87 1.628 -4.064 -11.761 1.00 34.23 C ATOM 1368 CE2 TYR A 87 3.247 -2.303 -11.793 1.00 43.24 C ATOM 1369 CZ TYR A 87 2.748 -3.479 -12.313 1.00 52.20 C ATOM 1370 OH TYR A 87 3.369 -4.071 -13.389 1.00 2.24 O ATOM 0 H TYR A 87 1.899 -0.262 -7.224 1.00 24.13 H new ATOM 0 HA TYR A 87 0.345 -2.537 -7.064 1.00 42.42 H new ATOM 0 HB2 TYR A 87 -0.272 -1.742 -9.068 1.00 15.50 H new ATOM 0 HB3 TYR A 87 1.021 -0.563 -8.968 1.00 15.50 H new ATOM 0 HD1 TYR A 87 0.128 -3.927 -10.253 1.00 13.10 H new ATOM 0 HD2 TYR A 87 3.015 -0.792 -10.308 1.00 72.45 H new ATOM 0 HE1 TYR A 87 1.239 -4.985 -12.170 1.00 34.23 H new ATOM 0 HE2 TYR A 87 4.124 -1.846 -12.228 1.00 43.24 H new ATOM 0 HH TYR A 87 3.271 -5.044 -13.328 1.00 2.24 H new ATOM 1380 N ALA A 88 3.444 -3.191 -7.770 1.00 4.01 N ATOM 1381 CA ALA A 88 4.417 -4.261 -7.957 1.00 13.34 C ATOM 1382 C ALA A 88 4.285 -5.318 -6.866 1.00 64.51 C ATOM 1383 O ALA A 88 4.018 -6.486 -7.150 1.00 24.24 O ATOM 1384 CB ALA A 88 5.828 -3.693 -7.977 1.00 23.30 C ATOM 0 H ALA A 88 3.854 -2.273 -7.598 1.00 4.01 H new ATOM 0 HA ALA A 88 4.216 -4.739 -8.916 1.00 13.34 H new ATOM 0 HB1 ALA A 88 6.544 -4.503 -8.117 1.00 23.30 H new ATOM 0 HB2 ALA A 88 5.922 -2.980 -8.796 1.00 23.30 H new ATOM 0 HB3 ALA A 88 6.031 -3.189 -7.032 1.00 23.30 H new ATOM 1390 N SER A 89 4.475 -4.902 -5.618 1.00 44.02 N ATOM 1391 CA SER A 89 4.383 -5.815 -4.485 1.00 74.21 C ATOM 1392 C SER A 89 2.939 -5.946 -4.009 1.00 52.54 C ATOM 1393 O SER A 89 2.659 -6.620 -3.018 1.00 53.14 O ATOM 1394 CB SER A 89 5.268 -5.328 -3.336 1.00 51.05 C ATOM 1395 OG SER A 89 6.637 -5.359 -3.700 1.00 3.23 O ATOM 0 H SER A 89 4.694 -3.938 -5.366 1.00 44.02 H new ATOM 0 HA SER A 89 4.731 -6.795 -4.811 1.00 74.21 H new ATOM 0 HB2 SER A 89 4.985 -4.312 -3.060 1.00 51.05 H new ATOM 0 HB3 SER A 89 5.107 -5.954 -2.458 1.00 51.05 H new ATOM 0 HG SER A 89 7.182 -5.042 -2.950 1.00 3.23 H new ATOM 1401 N SER A 90 2.026 -5.295 -4.724 1.00 0.24 N ATOM 1402 CA SER A 90 0.611 -5.334 -4.373 1.00 40.14 C ATOM 1403 C SER A 90 -0.167 -6.209 -5.351 1.00 63.15 C ATOM 1404 O SER A 90 -1.259 -6.686 -5.044 1.00 15.54 O ATOM 1405 CB SER A 90 0.028 -3.920 -4.362 1.00 14.33 C ATOM 1406 OG SER A 90 -1.338 -3.935 -3.983 1.00 40.53 O ATOM 0 H SER A 90 2.241 -4.735 -5.549 1.00 0.24 H new ATOM 0 HA SER A 90 0.521 -5.765 -3.376 1.00 40.14 H new ATOM 0 HB2 SER A 90 0.594 -3.295 -3.671 1.00 14.33 H new ATOM 0 HB3 SER A 90 0.129 -3.474 -5.351 1.00 14.33 H new ATOM 0 HG SER A 90 -1.812 -3.208 -4.438 1.00 40.53 H new ATOM 1412 N LYS A 91 0.405 -6.417 -6.533 1.00 13.21 N ATOM 1413 CA LYS A 91 -0.232 -7.235 -7.558 1.00 61.30 C ATOM 1414 C LYS A 91 -0.790 -8.522 -6.958 1.00 53.30 C ATOM 1415 O LYS A 91 -1.830 -9.019 -7.390 1.00 53.13 O ATOM 1416 CB LYS A 91 0.768 -7.569 -8.667 1.00 24.50 C ATOM 1417 CG LYS A 91 1.830 -8.571 -8.247 1.00 4.23 C ATOM 1418 CD LYS A 91 3.088 -8.437 -9.090 1.00 35.24 C ATOM 1419 CE LYS A 91 4.283 -9.093 -8.416 1.00 32.43 C ATOM 1420 NZ LYS A 91 5.571 -8.652 -9.019 1.00 31.21 N ATOM 0 H LYS A 91 1.309 -6.030 -6.804 1.00 13.21 H new ATOM 0 HA LYS A 91 -1.058 -6.664 -7.982 1.00 61.30 H new ATOM 0 HB2 LYS A 91 0.226 -7.965 -9.526 1.00 24.50 H new ATOM 0 HB3 LYS A 91 1.256 -6.651 -8.994 1.00 24.50 H new ATOM 0 HG2 LYS A 91 2.078 -8.421 -7.196 1.00 4.23 H new ATOM 0 HG3 LYS A 91 1.434 -9.582 -8.340 1.00 4.23 H new ATOM 0 HD2 LYS A 91 2.924 -8.894 -10.066 1.00 35.24 H new ATOM 0 HD3 LYS A 91 3.300 -7.382 -9.263 1.00 35.24 H new ATOM 0 HE2 LYS A 91 4.278 -8.852 -7.353 1.00 32.43 H new ATOM 0 HE3 LYS A 91 4.196 -10.176 -8.497 1.00 32.43 H new ATOM 0 HZ1 LYS A 91 6.361 -9.121 -8.532 1.00 31.21 H new ATOM 0 HZ2 LYS A 91 5.587 -8.905 -10.028 1.00 31.21 H new ATOM 0 HZ3 LYS A 91 5.666 -7.621 -8.919 1.00 31.21 H new ATOM 1434 N ASP A 92 -0.094 -9.054 -5.960 1.00 31.40 N ATOM 1435 CA ASP A 92 -0.522 -10.282 -5.299 1.00 11.32 C ATOM 1436 C ASP A 92 -1.962 -10.161 -4.808 1.00 65.11 C ATOM 1437 O ASP A 92 -2.834 -10.925 -5.220 1.00 30.03 O ATOM 1438 CB ASP A 92 0.404 -10.604 -4.125 1.00 65.05 C ATOM 1439 CG ASP A 92 1.840 -10.816 -4.563 1.00 64.00 C ATOM 1440 OD1 ASP A 92 2.077 -11.697 -5.416 1.00 42.14 O ATOM 1441 OD2 ASP A 92 2.727 -10.101 -4.053 1.00 4.51 O ATOM 0 H ASP A 92 0.769 -8.655 -5.591 1.00 31.40 H new ATOM 0 HA ASP A 92 -0.471 -11.093 -6.025 1.00 11.32 H new ATOM 0 HB2 ASP A 92 0.364 -9.790 -3.401 1.00 65.05 H new ATOM 0 HB3 ASP A 92 0.046 -11.500 -3.618 1.00 65.05 H new ATOM 1446 N ALA A 93 -2.202 -9.197 -3.925 1.00 65.03 N ATOM 1447 CA ALA A 93 -3.535 -8.976 -3.379 1.00 43.12 C ATOM 1448 C ALA A 93 -4.564 -8.815 -4.493 1.00 33.44 C ATOM 1449 O ALA A 93 -5.519 -9.588 -4.585 1.00 54.20 O ATOM 1450 CB ALA A 93 -3.538 -7.753 -2.474 1.00 52.23 C ATOM 0 H ALA A 93 -1.490 -8.557 -3.573 1.00 65.03 H new ATOM 0 HA ALA A 93 -3.810 -9.851 -2.790 1.00 43.12 H new ATOM 0 HB1 ALA A 93 -4.540 -7.600 -2.073 1.00 52.23 H new ATOM 0 HB2 ALA A 93 -2.838 -7.906 -1.653 1.00 52.23 H new ATOM 0 HB3 ALA A 93 -3.238 -6.876 -3.047 1.00 52.23 H new ATOM 1456 N LEU A 94 -4.365 -7.808 -5.336 1.00 30.34 N ATOM 1457 CA LEU A 94 -5.277 -7.546 -6.443 1.00 51.14 C ATOM 1458 C LEU A 94 -5.567 -8.824 -7.225 1.00 2.44 C ATOM 1459 O LEU A 94 -6.725 -9.192 -7.426 1.00 2.00 O ATOM 1460 CB LEU A 94 -4.687 -6.487 -7.376 1.00 63.12 C ATOM 1461 CG LEU A 94 -4.452 -5.107 -6.762 1.00 13.34 C ATOM 1462 CD1 LEU A 94 -5.297 -4.929 -5.510 1.00 33.43 C ATOM 1463 CD2 LEU A 94 -2.977 -4.908 -6.444 1.00 53.44 C ATOM 0 H LEU A 94 -3.580 -7.160 -5.274 1.00 30.34 H new ATOM 0 HA LEU A 94 -6.214 -7.175 -6.029 1.00 51.14 H new ATOM 0 HB2 LEU A 94 -3.737 -6.858 -7.759 1.00 63.12 H new ATOM 0 HB3 LEU A 94 -5.353 -6.373 -8.231 1.00 63.12 H new ATOM 0 HG LEU A 94 -4.752 -4.352 -7.489 1.00 13.34 H new ATOM 0 HD11 LEU A 94 -5.117 -3.941 -5.087 1.00 33.43 H new ATOM 0 HD12 LEU A 94 -6.352 -5.027 -5.766 1.00 33.43 H new ATOM 0 HD13 LEU A 94 -5.029 -5.691 -4.779 1.00 33.43 H new ATOM 0 HD21 LEU A 94 -2.829 -3.920 -6.008 1.00 53.44 H new ATOM 0 HD22 LEU A 94 -2.651 -5.670 -5.736 1.00 53.44 H new ATOM 0 HD23 LEU A 94 -2.393 -4.991 -7.360 1.00 53.44 H new ATOM 1475 N LEU A 95 -4.508 -9.497 -7.661 1.00 0.03 N ATOM 1476 CA LEU A 95 -4.648 -10.736 -8.418 1.00 41.22 C ATOM 1477 C LEU A 95 -5.482 -11.754 -7.647 1.00 61.14 C ATOM 1478 O LEU A 95 -6.242 -12.523 -8.236 1.00 33.22 O ATOM 1479 CB LEU A 95 -3.271 -11.322 -8.734 1.00 43.11 C ATOM 1480 CG LEU A 95 -2.616 -10.839 -10.029 1.00 15.41 C ATOM 1481 CD1 LEU A 95 -1.155 -11.257 -10.077 1.00 73.22 C ATOM 1482 CD2 LEU A 95 -3.367 -11.376 -11.239 1.00 14.34 C ATOM 0 H LEU A 95 -3.543 -9.206 -7.503 1.00 0.03 H new ATOM 0 HA LEU A 95 -5.161 -10.506 -9.352 1.00 41.22 H new ATOM 0 HB2 LEU A 95 -2.602 -11.093 -7.905 1.00 43.11 H new ATOM 0 HB3 LEU A 95 -3.362 -12.407 -8.779 1.00 43.11 H new ATOM 0 HG LEU A 95 -2.661 -9.750 -10.052 1.00 15.41 H new ATOM 0 HD11 LEU A 95 -0.706 -10.904 -11.006 1.00 73.22 H new ATOM 0 HD12 LEU A 95 -0.624 -10.823 -9.230 1.00 73.22 H new ATOM 0 HD13 LEU A 95 -1.086 -12.344 -10.030 1.00 73.22 H new ATOM 0 HD21 LEU A 95 -2.887 -11.022 -12.152 1.00 14.34 H new ATOM 0 HD22 LEU A 95 -3.354 -12.466 -11.221 1.00 14.34 H new ATOM 0 HD23 LEU A 95 -4.399 -11.025 -11.212 1.00 14.34 H new ATOM 1494 N LYS A 96 -5.336 -11.752 -6.327 1.00 21.42 N ATOM 1495 CA LYS A 96 -6.078 -12.673 -5.473 1.00 64.13 C ATOM 1496 C LYS A 96 -7.482 -12.146 -5.196 1.00 70.31 C ATOM 1497 O LYS A 96 -8.343 -12.874 -4.702 1.00 73.42 O ATOM 1498 CB LYS A 96 -5.333 -12.890 -4.154 1.00 32.00 C ATOM 1499 CG LYS A 96 -4.039 -13.670 -4.307 1.00 43.31 C ATOM 1500 CD LYS A 96 -4.261 -14.981 -5.042 1.00 32.25 C ATOM 1501 CE LYS A 96 -3.954 -14.848 -6.525 1.00 71.32 C ATOM 1502 NZ LYS A 96 -3.152 -15.997 -7.031 1.00 2.53 N ATOM 0 H LYS A 96 -4.710 -11.123 -5.824 1.00 21.42 H new ATOM 0 HA LYS A 96 -6.163 -13.626 -5.996 1.00 64.13 H new ATOM 0 HB2 LYS A 96 -5.112 -11.920 -3.707 1.00 32.00 H new ATOM 0 HB3 LYS A 96 -5.986 -13.419 -3.460 1.00 32.00 H new ATOM 0 HG2 LYS A 96 -3.311 -13.066 -4.850 1.00 43.31 H new ATOM 0 HG3 LYS A 96 -3.616 -13.871 -3.323 1.00 43.31 H new ATOM 0 HD2 LYS A 96 -3.629 -15.755 -4.607 1.00 32.25 H new ATOM 0 HD3 LYS A 96 -5.294 -15.302 -4.911 1.00 32.25 H new ATOM 0 HE2 LYS A 96 -4.887 -14.782 -7.085 1.00 71.32 H new ATOM 0 HE3 LYS A 96 -3.410 -13.920 -6.701 1.00 71.32 H new ATOM 0 HZ1 LYS A 96 -2.964 -15.869 -8.046 1.00 2.53 H new ATOM 0 HZ2 LYS A 96 -2.250 -16.045 -6.515 1.00 2.53 H new ATOM 0 HZ3 LYS A 96 -3.681 -16.880 -6.886 1.00 2.53 H new ATOM 1516 N LYS A 97 -7.707 -10.877 -5.518 1.00 72.13 N ATOM 1517 CA LYS A 97 -9.008 -10.253 -5.307 1.00 2.31 C ATOM 1518 C LYS A 97 -9.859 -10.327 -6.571 1.00 21.35 C ATOM 1519 O LYS A 97 -10.742 -9.497 -6.786 1.00 55.41 O ATOM 1520 CB LYS A 97 -8.833 -8.793 -4.883 1.00 3.24 C ATOM 1521 CG LYS A 97 -8.310 -8.630 -3.466 1.00 44.30 C ATOM 1522 CD LYS A 97 -9.215 -9.313 -2.455 1.00 52.20 C ATOM 1523 CE LYS A 97 -8.506 -10.465 -1.760 1.00 43.30 C ATOM 1524 NZ LYS A 97 -8.972 -10.637 -0.356 1.00 70.53 N ATOM 0 H LYS A 97 -7.005 -10.260 -5.926 1.00 72.13 H new ATOM 0 HA LYS A 97 -9.520 -10.798 -4.513 1.00 2.31 H new ATOM 0 HB2 LYS A 97 -8.147 -8.303 -5.573 1.00 3.24 H new ATOM 0 HB3 LYS A 97 -9.791 -8.281 -4.969 1.00 3.24 H new ATOM 0 HG2 LYS A 97 -7.306 -9.048 -3.398 1.00 44.30 H new ATOM 0 HG3 LYS A 97 -8.231 -7.570 -3.226 1.00 44.30 H new ATOM 0 HD2 LYS A 97 -9.546 -8.587 -1.712 1.00 52.20 H new ATOM 0 HD3 LYS A 97 -10.108 -9.684 -2.957 1.00 52.20 H new ATOM 0 HE2 LYS A 97 -8.680 -11.386 -2.316 1.00 43.30 H new ATOM 0 HE3 LYS A 97 -7.431 -10.287 -1.766 1.00 43.30 H new ATOM 0 HZ1 LYS A 97 -8.172 -10.926 0.242 1.00 70.53 H new ATOM 0 HZ2 LYS A 97 -9.359 -9.737 -0.006 1.00 70.53 H new ATOM 0 HZ3 LYS A 97 -9.711 -11.368 -0.323 1.00 70.53 H new ATOM 1538 N LEU A 98 -9.589 -11.327 -7.402 1.00 64.31 N ATOM 1539 CA LEU A 98 -10.331 -11.511 -8.644 1.00 71.43 C ATOM 1540 C LEU A 98 -10.696 -12.978 -8.849 1.00 22.35 C ATOM 1541 O LEU A 98 -10.430 -13.820 -7.990 1.00 12.32 O ATOM 1542 CB LEU A 98 -9.509 -11.008 -9.832 1.00 71.22 C ATOM 1543 CG LEU A 98 -8.796 -9.670 -9.636 1.00 54.33 C ATOM 1544 CD1 LEU A 98 -7.431 -9.689 -10.307 1.00 15.52 C ATOM 1545 CD2 LEU A 98 -9.644 -8.529 -10.181 1.00 33.32 C ATOM 0 H LEU A 98 -8.862 -12.023 -7.238 1.00 64.31 H new ATOM 0 HA LEU A 98 -11.252 -10.933 -8.576 1.00 71.43 H new ATOM 0 HB2 LEU A 98 -8.762 -11.763 -10.077 1.00 71.22 H new ATOM 0 HB3 LEU A 98 -10.169 -10.922 -10.695 1.00 71.22 H new ATOM 0 HG LEU A 98 -8.651 -9.511 -8.568 1.00 54.33 H new ATOM 0 HD11 LEU A 98 -6.938 -8.728 -10.157 1.00 15.52 H new ATOM 0 HD12 LEU A 98 -6.822 -10.481 -9.871 1.00 15.52 H new ATOM 0 HD13 LEU A 98 -7.553 -9.871 -11.375 1.00 15.52 H new ATOM 0 HD21 LEU A 98 -9.121 -7.584 -10.033 1.00 33.32 H new ATOM 0 HD22 LEU A 98 -9.821 -8.683 -11.245 1.00 33.32 H new ATOM 0 HD23 LEU A 98 -10.598 -8.502 -9.655 1.00 33.32 H new ATOM 1557 N ASP A 99 -11.303 -13.278 -9.991 1.00 55.11 N ATOM 1558 CA ASP A 99 -11.702 -14.644 -10.310 1.00 64.02 C ATOM 1559 C ASP A 99 -11.269 -15.020 -11.724 1.00 22.12 C ATOM 1560 O ASP A 99 -11.894 -14.617 -12.703 1.00 75.14 O ATOM 1561 CB ASP A 99 -13.216 -14.803 -10.168 1.00 12.12 C ATOM 1562 CG ASP A 99 -13.597 -16.040 -9.378 1.00 2.31 C ATOM 1563 OD1 ASP A 99 -13.581 -15.975 -8.131 1.00 40.11 O ATOM 1564 OD2 ASP A 99 -13.910 -17.073 -10.007 1.00 2.44 O ATOM 0 H ASP A 99 -11.530 -12.593 -10.712 1.00 55.11 H new ATOM 0 HA ASP A 99 -11.207 -15.314 -9.607 1.00 64.02 H new ATOM 0 HB2 ASP A 99 -13.626 -13.921 -9.677 1.00 12.12 H new ATOM 0 HB3 ASP A 99 -13.667 -14.855 -11.159 1.00 12.12 H new ATOM 1569 N GLY A 100 -10.193 -15.795 -11.822 1.00 3.04 N ATOM 1570 CA GLY A 100 -9.694 -16.211 -13.119 1.00 62.42 C ATOM 1571 C GLY A 100 -8.551 -15.343 -13.607 1.00 55.32 C ATOM 1572 O GLY A 100 -7.923 -15.644 -14.621 1.00 60.23 O ATOM 0 H GLY A 100 -9.658 -16.142 -11.026 1.00 3.04 H new ATOM 0 HA2 GLY A 100 -9.360 -17.247 -13.061 1.00 62.42 H new ATOM 0 HA3 GLY A 100 -10.506 -16.178 -13.845 1.00 62.42 H new ATOM 1576 N ALA A 101 -8.283 -14.260 -12.885 1.00 30.04 N ATOM 1577 CA ALA A 101 -7.209 -13.345 -13.250 1.00 24.14 C ATOM 1578 C ALA A 101 -5.875 -14.077 -13.350 1.00 64.00 C ATOM 1579 O ALA A 101 -5.278 -14.445 -12.337 1.00 51.14 O ATOM 1580 CB ALA A 101 -7.116 -12.211 -12.240 1.00 43.40 C ATOM 0 H ALA A 101 -8.795 -13.995 -12.044 1.00 30.04 H new ATOM 0 HA ALA A 101 -7.439 -12.926 -14.230 1.00 24.14 H new ATOM 0 HB1 ALA A 101 -6.310 -11.535 -12.525 1.00 43.40 H new ATOM 0 HB2 ALA A 101 -8.058 -11.664 -12.220 1.00 43.40 H new ATOM 0 HB3 ALA A 101 -6.913 -12.621 -11.251 1.00 43.40 H new ATOM 1586 N THR A 102 -5.411 -14.287 -14.578 1.00 43.42 N ATOM 1587 CA THR A 102 -4.148 -14.976 -14.811 1.00 32.41 C ATOM 1588 C THR A 102 -3.012 -13.984 -15.030 1.00 61.22 C ATOM 1589 O THR A 102 -3.145 -12.798 -14.732 1.00 10.22 O ATOM 1590 CB THR A 102 -4.237 -15.915 -16.029 1.00 30.10 C ATOM 1591 OG1 THR A 102 -4.206 -15.151 -17.240 1.00 25.14 O ATOM 1592 CG2 THR A 102 -5.511 -16.745 -15.980 1.00 63.54 C ATOM 0 H THR A 102 -5.892 -13.989 -15.427 1.00 43.42 H new ATOM 0 HA THR A 102 -3.942 -15.568 -13.919 1.00 32.41 H new ATOM 0 HB THR A 102 -3.381 -16.590 -16.003 1.00 30.10 H new ATOM 0 HG1 THR A 102 -4.261 -15.755 -18.010 1.00 25.14 H new ATOM 0 HG21 THR A 102 -5.552 -17.400 -16.850 1.00 63.54 H new ATOM 0 HG22 THR A 102 -5.518 -17.347 -15.071 1.00 63.54 H new ATOM 0 HG23 THR A 102 -6.377 -16.083 -15.983 1.00 63.54 H new ATOM 1600 N ALA A 103 -1.895 -14.478 -15.554 1.00 45.41 N ATOM 1601 CA ALA A 103 -0.736 -13.633 -15.816 1.00 23.02 C ATOM 1602 C ALA A 103 -0.889 -12.885 -17.136 1.00 3.23 C ATOM 1603 O ALA A 103 0.024 -12.183 -17.573 1.00 33.23 O ATOM 1604 CB ALA A 103 0.535 -14.469 -15.825 1.00 64.12 C ATOM 0 H ALA A 103 -1.768 -15.458 -15.805 1.00 45.41 H new ATOM 0 HA ALA A 103 -0.667 -12.895 -15.017 1.00 23.02 H new ATOM 0 HB1 ALA A 103 1.392 -13.825 -16.022 1.00 64.12 H new ATOM 0 HB2 ALA A 103 0.659 -14.953 -14.856 1.00 64.12 H new ATOM 0 HB3 ALA A 103 0.465 -15.229 -16.604 1.00 64.12 H new ATOM 1610 N VAL A 104 -2.048 -13.039 -17.768 1.00 30.45 N ATOM 1611 CA VAL A 104 -2.321 -12.378 -19.038 1.00 4.11 C ATOM 1612 C VAL A 104 -2.616 -10.896 -18.834 1.00 25.22 C ATOM 1613 O VAL A 104 -3.696 -10.415 -19.174 1.00 60.41 O ATOM 1614 CB VAL A 104 -3.510 -13.031 -19.767 1.00 63.11 C ATOM 1615 CG1 VAL A 104 -4.776 -12.916 -18.933 1.00 32.44 C ATOM 1616 CG2 VAL A 104 -3.705 -12.400 -21.138 1.00 33.55 C ATOM 0 H VAL A 104 -2.814 -13.616 -17.421 1.00 30.45 H new ATOM 0 HA VAL A 104 -1.426 -12.487 -19.650 1.00 4.11 H new ATOM 0 HB VAL A 104 -3.291 -14.090 -19.907 1.00 63.11 H new ATOM 0 HG11 VAL A 104 -5.605 -13.383 -19.464 1.00 32.44 H new ATOM 0 HG12 VAL A 104 -4.629 -13.418 -17.977 1.00 32.44 H new ATOM 0 HG13 VAL A 104 -5.003 -11.864 -18.759 1.00 32.44 H new ATOM 0 HG21 VAL A 104 -4.549 -12.873 -21.640 1.00 33.55 H new ATOM 0 HG22 VAL A 104 -3.902 -11.334 -21.023 1.00 33.55 H new ATOM 0 HG23 VAL A 104 -2.804 -12.540 -21.735 1.00 33.55 H new ATOM 1626 N ALA A 105 -1.647 -10.177 -18.276 1.00 61.03 N ATOM 1627 CA ALA A 105 -1.801 -8.749 -18.029 1.00 15.10 C ATOM 1628 C ALA A 105 -0.907 -7.931 -18.955 1.00 73.40 C ATOM 1629 O ALA A 105 -0.053 -8.479 -19.653 1.00 71.41 O ATOM 1630 CB ALA A 105 -1.491 -8.429 -16.574 1.00 52.43 C ATOM 0 H ALA A 105 -0.747 -10.560 -17.987 1.00 61.03 H new ATOM 0 HA ALA A 105 -2.837 -8.479 -18.237 1.00 15.10 H new ATOM 0 HB1 ALA A 105 -1.610 -7.359 -16.403 1.00 52.43 H new ATOM 0 HB2 ALA A 105 -2.175 -8.978 -15.927 1.00 52.43 H new ATOM 0 HB3 ALA A 105 -0.465 -8.721 -16.348 1.00 52.43 H new ATOM 1636 N LEU A 106 -1.109 -6.618 -18.957 1.00 72.52 N ATOM 1637 CA LEU A 106 -0.321 -5.725 -19.799 1.00 11.42 C ATOM 1638 C LEU A 106 0.063 -4.459 -19.039 1.00 54.10 C ATOM 1639 O LEU A 106 -0.785 -3.613 -18.755 1.00 72.35 O ATOM 1640 CB LEU A 106 -1.104 -5.358 -21.061 1.00 21.12 C ATOM 1641 CG LEU A 106 -0.269 -5.081 -22.312 1.00 12.34 C ATOM 1642 CD1 LEU A 106 0.755 -3.990 -22.039 1.00 31.03 C ATOM 1643 CD2 LEU A 106 0.417 -6.353 -22.787 1.00 44.45 C ATOM 0 H LEU A 106 -1.811 -6.148 -18.385 1.00 72.52 H new ATOM 0 HA LEU A 106 0.592 -6.247 -20.085 1.00 11.42 H new ATOM 0 HB2 LEU A 106 -1.797 -6.169 -21.283 1.00 21.12 H new ATOM 0 HB3 LEU A 106 -1.706 -4.475 -20.847 1.00 21.12 H new ATOM 0 HG LEU A 106 -0.936 -4.735 -23.102 1.00 12.34 H new ATOM 0 HD11 LEU A 106 1.340 -3.806 -22.940 1.00 31.03 H new ATOM 0 HD12 LEU A 106 0.242 -3.074 -21.747 1.00 31.03 H new ATOM 0 HD13 LEU A 106 1.418 -4.307 -21.234 1.00 31.03 H new ATOM 0 HD21 LEU A 106 1.007 -6.137 -23.678 1.00 44.45 H new ATOM 0 HD22 LEU A 106 1.072 -6.729 -22.001 1.00 44.45 H new ATOM 0 HD23 LEU A 106 -0.335 -7.106 -23.023 1.00 44.45 H new ATOM 1655 N GLU A 107 1.346 -4.335 -18.715 1.00 31.54 N ATOM 1656 CA GLU A 107 1.841 -3.172 -17.989 1.00 42.40 C ATOM 1657 C GLU A 107 3.011 -2.527 -18.728 1.00 34.13 C ATOM 1658 O GLU A 107 4.158 -2.948 -18.583 1.00 32.31 O ATOM 1659 CB GLU A 107 2.273 -3.570 -16.576 1.00 42.41 C ATOM 1660 CG GLU A 107 3.220 -4.758 -16.541 1.00 55.20 C ATOM 1661 CD GLU A 107 2.651 -5.934 -15.772 1.00 34.32 C ATOM 1662 OE1 GLU A 107 1.457 -6.246 -15.964 1.00 35.14 O ATOM 1663 OE2 GLU A 107 3.399 -6.543 -14.978 1.00 55.43 O ATOM 0 H GLU A 107 2.061 -5.025 -18.944 1.00 31.54 H new ATOM 0 HA GLU A 107 1.031 -2.446 -17.922 1.00 42.40 H new ATOM 0 HB2 GLU A 107 2.756 -2.717 -16.099 1.00 42.41 H new ATOM 0 HB3 GLU A 107 1.387 -3.805 -15.987 1.00 42.41 H new ATOM 0 HG2 GLU A 107 3.444 -5.070 -17.561 1.00 55.20 H new ATOM 0 HG3 GLU A 107 4.163 -4.453 -16.087 1.00 55.20 H new ATOM 1670 N ALA A 108 2.710 -1.503 -19.520 1.00 63.52 N ATOM 1671 CA ALA A 108 3.736 -0.800 -20.281 1.00 15.44 C ATOM 1672 C ALA A 108 3.402 0.683 -20.411 1.00 74.41 C ATOM 1673 O ALA A 108 2.388 1.051 -21.005 1.00 73.10 O ATOM 1674 CB ALA A 108 3.898 -1.429 -21.656 1.00 71.22 C ATOM 0 H ALA A 108 1.765 -1.142 -19.651 1.00 63.52 H new ATOM 0 HA ALA A 108 4.679 -0.888 -19.741 1.00 15.44 H new ATOM 0 HB1 ALA A 108 4.667 -0.894 -22.213 1.00 71.22 H new ATOM 0 HB2 ALA A 108 4.190 -2.473 -21.546 1.00 71.22 H new ATOM 0 HB3 ALA A 108 2.953 -1.371 -22.196 1.00 71.22 H new ATOM 1680 N HIS A 109 4.260 1.529 -19.852 1.00 3.41 N ATOM 1681 CA HIS A 109 4.056 2.973 -19.906 1.00 73.40 C ATOM 1682 C HIS A 109 4.199 3.488 -21.335 1.00 13.32 C ATOM 1683 O HIS A 109 5.310 3.692 -21.822 1.00 61.42 O ATOM 1684 CB HIS A 109 5.053 3.685 -18.992 1.00 62.10 C ATOM 1685 CG HIS A 109 6.476 3.278 -19.225 1.00 34.41 C ATOM 1686 ND1 HIS A 109 7.342 3.993 -20.024 1.00 2.32 N ATOM 1687 CD2 HIS A 109 7.182 2.222 -18.757 1.00 2.31 C ATOM 1688 CE1 HIS A 109 8.520 3.395 -20.039 1.00 32.25 C ATOM 1689 NE2 HIS A 109 8.449 2.318 -19.277 1.00 64.21 N ATOM 0 H HIS A 109 5.103 1.241 -19.356 1.00 3.41 H new ATOM 0 HA HIS A 109 3.044 3.186 -19.561 1.00 73.40 H new ATOM 0 HB2 HIS A 109 4.963 4.761 -19.138 1.00 62.10 H new ATOM 0 HB3 HIS A 109 4.791 3.482 -17.954 1.00 62.10 H new ATOM 0 HD2 HIS A 109 6.817 1.448 -18.098 1.00 2.31 H new ATOM 0 HE1 HIS A 109 9.392 3.729 -20.581 1.00 32.25 H new ATOM 0 HE2 HIS A 109 9.212 1.664 -19.103 1.00 64.21 H new ATOM 1697 N GLU A 110 3.067 3.697 -22.000 1.00 33.32 N ATOM 1698 CA GLU A 110 3.067 4.187 -23.373 1.00 44.10 C ATOM 1699 C GLU A 110 1.679 4.674 -23.778 1.00 10.35 C ATOM 1700 O GLU A 110 0.669 4.217 -23.243 1.00 62.10 O ATOM 1701 CB GLU A 110 3.533 3.088 -24.330 1.00 61.03 C ATOM 1702 CG GLU A 110 2.981 1.713 -23.993 1.00 4.01 C ATOM 1703 CD GLU A 110 2.917 0.798 -25.200 1.00 63.22 C ATOM 1704 OE1 GLU A 110 3.204 1.272 -26.319 1.00 54.44 O ATOM 1705 OE2 GLU A 110 2.581 -0.392 -25.026 1.00 72.03 O ATOM 0 H GLU A 110 2.139 3.535 -21.610 1.00 33.32 H new ATOM 0 HA GLU A 110 3.759 5.027 -23.431 1.00 44.10 H new ATOM 0 HB2 GLU A 110 3.235 3.351 -25.345 1.00 61.03 H new ATOM 0 HB3 GLU A 110 4.622 3.046 -24.319 1.00 61.03 H new ATOM 0 HG2 GLU A 110 3.604 1.253 -23.226 1.00 4.01 H new ATOM 0 HG3 GLU A 110 1.982 1.820 -23.570 1.00 4.01 H new ATOM 1712 N MET A 111 1.638 5.606 -24.725 1.00 31.42 N ATOM 1713 CA MET A 111 0.374 6.155 -25.202 1.00 31.34 C ATOM 1714 C MET A 111 -0.244 5.252 -26.265 1.00 14.33 C ATOM 1715 O MET A 111 -1.464 5.105 -26.335 1.00 3.00 O ATOM 1716 CB MET A 111 0.585 7.560 -25.769 1.00 23.31 C ATOM 1717 CG MET A 111 -0.609 8.087 -26.547 1.00 52.02 C ATOM 1718 SD MET A 111 -0.366 9.775 -27.134 1.00 31.34 S ATOM 1719 CE MET A 111 -0.274 9.509 -28.902 1.00 71.54 C ATOM 0 H MET A 111 2.465 5.996 -25.177 1.00 31.42 H new ATOM 0 HA MET A 111 -0.311 6.212 -24.356 1.00 31.34 H new ATOM 0 HB2 MET A 111 0.805 8.244 -24.950 1.00 23.31 H new ATOM 0 HB3 MET A 111 1.458 7.552 -26.421 1.00 23.31 H new ATOM 0 HG2 MET A 111 -0.799 7.434 -27.399 1.00 52.02 H new ATOM 0 HG3 MET A 111 -1.495 8.051 -25.913 1.00 52.02 H new ATOM 0 HE1 MET A 111 -0.124 10.464 -29.406 1.00 71.54 H new ATOM 0 HE2 MET A 111 0.561 8.845 -29.127 1.00 71.54 H new ATOM 0 HE3 MET A 111 -1.202 9.056 -29.251 1.00 71.54 H new ATOM 1729 N GLY A 112 0.606 4.650 -27.091 1.00 53.10 N ATOM 1730 CA GLY A 112 0.124 3.770 -28.140 1.00 15.25 C ATOM 1731 C GLY A 112 -0.526 2.515 -27.590 1.00 41.53 C ATOM 1732 O GLY A 112 -1.186 1.778 -28.323 1.00 2.30 O ATOM 0 H GLY A 112 1.620 4.756 -27.053 1.00 53.10 H new ATOM 0 HA2 GLY A 112 -0.595 4.307 -28.759 1.00 15.25 H new ATOM 0 HA3 GLY A 112 0.956 3.491 -28.787 1.00 15.25 H new ATOM 1736 N ASP A 113 -0.338 2.271 -26.298 1.00 41.02 N ATOM 1737 CA ASP A 113 -0.910 1.096 -25.651 1.00 51.01 C ATOM 1738 C ASP A 113 -2.433 1.176 -25.628 1.00 53.02 C ATOM 1739 O ASP A 113 -3.121 0.158 -25.721 1.00 4.01 O ATOM 1740 CB ASP A 113 -0.373 0.960 -24.226 1.00 25.13 C ATOM 1741 CG ASP A 113 -1.245 0.072 -23.360 1.00 51.23 C ATOM 1742 OD1 ASP A 113 -1.136 -1.166 -23.481 1.00 33.32 O ATOM 1743 OD2 ASP A 113 -2.036 0.616 -22.562 1.00 32.23 O ATOM 0 H ASP A 113 0.206 2.871 -25.678 1.00 41.02 H new ATOM 0 HA ASP A 113 -0.619 0.217 -26.226 1.00 51.01 H new ATOM 0 HB2 ASP A 113 0.637 0.551 -24.259 1.00 25.13 H new ATOM 0 HB3 ASP A 113 -0.302 1.948 -23.772 1.00 25.13 H new ATOM 1748 N LEU A 114 -2.955 2.391 -25.503 1.00 42.30 N ATOM 1749 CA LEU A 114 -4.398 2.605 -25.467 1.00 25.34 C ATOM 1750 C LEU A 114 -4.892 3.206 -26.778 1.00 74.54 C ATOM 1751 O LEU A 114 -6.038 3.644 -26.879 1.00 2.14 O ATOM 1752 CB LEU A 114 -4.768 3.523 -24.300 1.00 61.43 C ATOM 1753 CG LEU A 114 -3.902 4.771 -24.127 1.00 64.31 C ATOM 1754 CD1 LEU A 114 -4.758 5.966 -23.739 1.00 75.33 C ATOM 1755 CD2 LEU A 114 -2.819 4.528 -23.086 1.00 2.03 C ATOM 0 H LEU A 114 -2.401 3.244 -25.425 1.00 42.30 H new ATOM 0 HA LEU A 114 -4.881 1.638 -25.328 1.00 25.34 H new ATOM 0 HB2 LEU A 114 -5.804 3.839 -24.426 1.00 61.43 H new ATOM 0 HB3 LEU A 114 -4.722 2.943 -23.379 1.00 61.43 H new ATOM 0 HG LEU A 114 -3.420 4.990 -25.080 1.00 64.31 H new ATOM 0 HD11 LEU A 114 -4.124 6.845 -23.620 1.00 75.33 H new ATOM 0 HD12 LEU A 114 -5.496 6.154 -24.519 1.00 75.33 H new ATOM 0 HD13 LEU A 114 -5.269 5.758 -22.799 1.00 75.33 H new ATOM 0 HD21 LEU A 114 -2.212 5.427 -22.976 1.00 2.03 H new ATOM 0 HD22 LEU A 114 -3.282 4.283 -22.130 1.00 2.03 H new ATOM 0 HD23 LEU A 114 -2.186 3.700 -23.406 1.00 2.03 H new