USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 744 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 60 THR OG1 : rot 180:sc=-0.00132 USER MOD Set 1.2: A 63 GLN : amide:sc= -2.68 K(o=-2.3,f=-6.4!) USER MOD Set 1.3: A 70 TYR OH : rot -39:sc= 0.412 USER MOD Set 2.1: A 12 THR OG1 : rot -59:sc= 1.49 USER MOD Set 2.2: A 18 LYS NZ :NH3+ -152:sc= 0.507 (180deg=0) USER MOD Set 3.1: A 9 THR OG1 : rot 180:sc= 0.659 USER MOD Set 3.2: A 41 SER OG : rot 117:sc= -1.61! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0 (180deg=-0.00206) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -24:sc= 0.134 USER MOD Single : A 8 SER OG : rot -130:sc= -0.547 USER MOD Single : A 10 SER OG : rot 180:sc= -0.844 USER MOD Single : A 14 SER OG : rot -179:sc= -0.744 USER MOD Single : A 19 SER OG : rot 180:sc= 0.00198 USER MOD Single : A 20 GLN : amide:sc= -1.45 X(o=-1.4,f=-1.4!) USER MOD Single : A 21 GLN : amide:sc= -0.565 X(o=-0.56,f=-0.47) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -102:sc= 1.09 USER MOD Single : A 31 LYS NZ :NH3+ -146:sc= -1.54 (180deg=-1.78!) USER MOD Single : A 34 GLN : amide:sc= -0.586 X(o=-0.59,f=-0.26) USER MOD Single : A 35 TYR OH : rot 120:sc= -1.8! USER MOD Single : A 36 GLN : amide:sc= -0.772 K(o=-0.77,f=-2) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.427 X(o=0.43,f=0) USER MOD Single : A 50 MET CE :methyl -168:sc=-0.00949 (180deg=-0.134) USER MOD Single : A 56 ASN : amide:sc= -0.631 K(o=-0.63,f=-0.03) USER MOD Single : A 58 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00179) USER MOD Single : A 66 ASN : amide:sc= -0.378 X(o=-0.38,f=-0.13) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 CYS SG : rot -170:sc= -0.988 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -1.09 K(o=-1.1,f=-2.2!) USER MOD Single : A 84 ASN : amide:sc= -0.24 K(o=-0.24,f=-2.5!) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.224 USER MOD Single : A 87 GLN : amide:sc= -2.21 K(o=-2.2,f=-0.35) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.322 -1.899 1.614 1.00 0.00 N ATOM 2 CA MET A 1 17.396 -2.494 0.254 1.00 0.00 C ATOM 3 C MET A 1 16.054 -2.397 -0.465 1.00 0.00 C ATOM 4 O MET A 1 15.935 -1.726 -1.490 1.00 0.00 O ATOM 5 CB MET A 1 17.820 -3.958 0.385 1.00 0.00 C ATOM 6 CG MET A 1 19.302 -4.138 0.670 1.00 0.00 C ATOM 7 SD MET A 1 19.633 -5.510 1.793 1.00 0.00 S ATOM 8 CE MET A 1 21.325 -5.162 2.264 1.00 0.00 C ATOM 0 H1 MET A 1 18.257 -1.949 2.066 1.00 0.00 H new ATOM 0 H2 MET A 1 17.024 -0.905 1.542 1.00 0.00 H new ATOM 0 H3 MET A 1 16.632 -2.426 2.187 1.00 0.00 H new ATOM 0 HA MET A 1 18.126 -1.942 -0.338 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.245 -4.424 1.185 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.569 -4.484 -0.536 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.830 -4.306 -0.268 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.700 -3.218 1.099 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.674 -5.926 2.959 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.957 -5.163 1.376 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.375 -4.185 2.744 1.00 0.00 H new ATOM 20 N SER A 2 15.047 -3.070 0.080 1.00 0.00 N ATOM 21 CA SER A 2 13.713 -3.059 -0.509 1.00 0.00 C ATOM 22 C SER A 2 12.887 -1.898 0.035 1.00 0.00 C ATOM 23 O SER A 2 12.335 -1.977 1.133 1.00 0.00 O ATOM 24 CB SER A 2 12.998 -4.383 -0.231 1.00 0.00 C ATOM 25 OG SER A 2 13.298 -5.344 -1.229 1.00 0.00 O ATOM 0 H SER A 2 15.129 -3.630 0.929 1.00 0.00 H new ATOM 0 HA SER A 2 13.821 -2.931 -1.586 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.297 -4.763 0.746 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.921 -4.218 -0.193 1.00 0.00 H new ATOM 0 HG SER A 2 12.831 -6.182 -1.028 1.00 0.00 H new ATOM 31 N GLY A 3 12.809 -0.820 -0.739 1.00 0.00 N ATOM 32 CA GLY A 3 12.049 0.341 -0.316 1.00 0.00 C ATOM 33 C GLY A 3 10.647 0.360 -0.892 1.00 0.00 C ATOM 34 O GLY A 3 10.432 -0.043 -2.035 1.00 0.00 O ATOM 0 H GLY A 3 13.258 -0.730 -1.650 1.00 0.00 H new ATOM 0 HA2 GLY A 3 11.991 0.356 0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 3 12.575 1.246 -0.620 1.00 0.00 H new ATOM 38 N LEU A 4 9.693 0.832 -0.097 1.00 0.00 N ATOM 39 CA LEU A 4 8.302 0.905 -0.529 1.00 0.00 C ATOM 40 C LEU A 4 7.539 1.946 0.284 1.00 0.00 C ATOM 41 O LEU A 4 7.670 2.009 1.506 1.00 0.00 O ATOM 42 CB LEU A 4 7.627 -0.461 -0.386 1.00 0.00 C ATOM 43 CG LEU A 4 8.053 -1.506 -1.419 1.00 0.00 C ATOM 44 CD1 LEU A 4 7.327 -2.821 -1.178 1.00 0.00 C ATOM 45 CD2 LEU A 4 7.789 -1.000 -2.829 1.00 0.00 C ATOM 0 H LEU A 4 9.858 1.170 0.851 1.00 0.00 H new ATOM 0 HA LEU A 4 8.288 1.201 -1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.837 -0.850 0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.548 -0.325 -0.454 1.00 0.00 H new ATOM 0 HG LEU A 4 9.124 -1.680 -1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.642 -3.552 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.566 -3.191 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.252 -2.663 -1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.098 -1.756 -3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.725 -0.797 -2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.355 -0.084 -2.999 1.00 0.00 H new ATOM 57 N ARG A 5 6.743 2.761 -0.401 1.00 0.00 N ATOM 58 CA ARG A 5 5.963 3.798 0.266 1.00 0.00 C ATOM 59 C ARG A 5 4.490 3.411 0.334 1.00 0.00 C ATOM 60 O ARG A 5 3.678 3.875 -0.467 1.00 0.00 O ATOM 61 CB ARG A 5 6.118 5.137 -0.461 1.00 0.00 C ATOM 62 CG ARG A 5 7.525 5.395 -0.975 1.00 0.00 C ATOM 63 CD ARG A 5 7.876 6.873 -0.917 1.00 0.00 C ATOM 64 NE ARG A 5 9.160 7.156 -1.555 1.00 0.00 N ATOM 65 CZ ARG A 5 9.756 8.346 -1.526 1.00 0.00 C ATOM 66 NH1 ARG A 5 9.189 9.365 -0.891 1.00 0.00 N ATOM 67 NH2 ARG A 5 10.922 8.518 -2.133 1.00 0.00 N ATOM 0 H ARG A 5 6.621 2.724 -1.413 1.00 0.00 H new ATOM 0 HA ARG A 5 6.342 3.901 1.283 1.00 0.00 H new ATOM 0 HB2 ARG A 5 5.423 5.167 -1.300 1.00 0.00 H new ATOM 0 HB3 ARG A 5 5.835 5.943 0.216 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.241 4.826 -0.381 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.609 5.040 -2.002 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.093 7.451 -1.407 1.00 0.00 H new ATOM 0 HD3 ARG A 5 7.909 7.197 0.123 1.00 0.00 H new ATOM 0 HE ARG A 5 9.627 6.397 -2.052 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.292 9.238 -0.422 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.650 10.274 -0.872 1.00 0.00 H new ATOM 0 HH21 ARG A 5 11.362 7.739 -2.622 1.00 0.00 H new ATOM 0 HH22 ARG A 5 11.379 9.430 -2.111 1.00 0.00 H new ATOM 81 N VAL A 6 4.151 2.560 1.297 1.00 0.00 N ATOM 82 CA VAL A 6 2.774 2.113 1.470 1.00 0.00 C ATOM 83 C VAL A 6 1.950 3.160 2.209 1.00 0.00 C ATOM 84 O VAL A 6 2.251 3.510 3.350 1.00 0.00 O ATOM 85 CB VAL A 6 2.707 0.781 2.240 1.00 0.00 C ATOM 86 CG1 VAL A 6 1.280 0.254 2.276 1.00 0.00 C ATOM 87 CG2 VAL A 6 3.644 -0.243 1.618 1.00 0.00 C ATOM 0 H VAL A 6 4.810 2.167 1.969 1.00 0.00 H new ATOM 0 HA VAL A 6 2.360 1.965 0.473 1.00 0.00 H new ATOM 0 HB VAL A 6 3.029 0.960 3.266 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.254 -0.688 2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.636 0.981 2.772 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.927 0.091 1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.583 -1.178 2.175 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.355 -0.419 0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.667 0.133 1.650 1.00 0.00 H new ATOM 97 N TYR A 7 0.909 3.659 1.550 1.00 0.00 N ATOM 98 CA TYR A 7 0.043 4.669 2.146 1.00 0.00 C ATOM 99 C TYR A 7 -0.960 4.033 3.101 1.00 0.00 C ATOM 100 O TYR A 7 -1.387 2.896 2.903 1.00 0.00 O ATOM 101 CB TYR A 7 -0.697 5.446 1.055 1.00 0.00 C ATOM 102 CG TYR A 7 0.143 6.513 0.389 1.00 0.00 C ATOM 103 CD1 TYR A 7 0.275 7.775 0.955 1.00 0.00 C ATOM 104 CD2 TYR A 7 0.803 6.259 -0.807 1.00 0.00 C ATOM 105 CE1 TYR A 7 1.040 8.753 0.349 1.00 0.00 C ATOM 106 CE2 TYR A 7 1.571 7.231 -1.418 1.00 0.00 C ATOM 107 CZ TYR A 7 1.686 8.476 -0.837 1.00 0.00 C ATOM 108 OH TYR A 7 2.450 9.447 -1.443 1.00 0.00 O ATOM 0 H TYR A 7 0.645 3.381 0.605 1.00 0.00 H new ATOM 0 HA TYR A 7 0.670 5.358 2.712 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.046 4.746 0.296 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.581 5.912 1.490 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -0.229 7.995 1.884 1.00 0.00 H new ATOM 0 HD2 TYR A 7 0.714 5.286 -1.266 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.131 9.729 0.802 1.00 0.00 H new ATOM 0 HE2 TYR A 7 2.079 7.017 -2.347 1.00 0.00 H new ATOM 0 HH TYR A 7 2.147 10.332 -1.150 1.00 0.00 H new ATOM 118 N SER A 8 -1.333 4.776 4.137 1.00 0.00 N ATOM 119 CA SER A 8 -2.288 4.287 5.124 1.00 0.00 C ATOM 120 C SER A 8 -2.931 5.446 5.879 1.00 0.00 C ATOM 121 O SER A 8 -2.516 6.597 5.740 1.00 0.00 O ATOM 122 CB SER A 8 -1.599 3.339 6.109 1.00 0.00 C ATOM 123 OG SER A 8 -0.360 2.881 5.595 1.00 0.00 O ATOM 0 H SER A 8 -0.988 5.719 4.315 1.00 0.00 H new ATOM 0 HA SER A 8 -3.071 3.742 4.596 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.436 3.851 7.057 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.248 2.488 6.314 1.00 0.00 H new ATOM 0 HG SER A 8 -0.315 1.905 5.670 1.00 0.00 H new ATOM 129 N THR A 9 -3.946 5.135 6.678 1.00 0.00 N ATOM 130 CA THR A 9 -4.647 6.151 7.455 1.00 0.00 C ATOM 131 C THR A 9 -4.601 5.825 8.944 1.00 0.00 C ATOM 132 O THR A 9 -5.416 5.050 9.445 1.00 0.00 O ATOM 133 CB THR A 9 -6.099 6.268 6.990 1.00 0.00 C ATOM 134 OG1 THR A 9 -6.803 7.213 7.776 1.00 0.00 O ATOM 135 CG2 THR A 9 -6.858 4.960 7.057 1.00 0.00 C ATOM 0 H THR A 9 -4.302 4.187 6.805 1.00 0.00 H new ATOM 0 HA THR A 9 -4.145 7.105 7.295 1.00 0.00 H new ATOM 0 HB THR A 9 -6.043 6.583 5.948 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.729 7.274 7.462 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.881 5.115 6.713 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.369 4.222 6.421 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.872 4.600 8.086 1.00 0.00 H new ATOM 143 N SER A 10 -3.644 6.422 9.647 1.00 0.00 N ATOM 144 CA SER A 10 -3.493 6.196 11.080 1.00 0.00 C ATOM 145 C SER A 10 -4.756 6.602 11.832 1.00 0.00 C ATOM 146 O SER A 10 -5.130 5.974 12.822 1.00 0.00 O ATOM 147 CB SER A 10 -2.292 6.976 11.617 1.00 0.00 C ATOM 148 OG SER A 10 -2.297 8.311 11.142 1.00 0.00 O ATOM 0 H SER A 10 -2.961 7.066 9.248 1.00 0.00 H new ATOM 0 HA SER A 10 -3.325 5.131 11.238 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.311 6.974 12.707 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.369 6.482 11.314 1.00 0.00 H new ATOM 0 HG SER A 10 -1.520 8.789 11.501 1.00 0.00 H new ATOM 154 N VAL A 11 -5.409 7.657 11.356 1.00 0.00 N ATOM 155 CA VAL A 11 -6.631 8.146 11.984 1.00 0.00 C ATOM 156 C VAL A 11 -7.812 7.233 11.672 1.00 0.00 C ATOM 157 O VAL A 11 -8.681 7.016 12.517 1.00 0.00 O ATOM 158 CB VAL A 11 -6.966 9.577 11.522 1.00 0.00 C ATOM 159 CG1 VAL A 11 -8.143 10.132 12.311 1.00 0.00 C ATOM 160 CG2 VAL A 11 -5.751 10.481 11.659 1.00 0.00 C ATOM 0 H VAL A 11 -5.113 8.189 10.538 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.454 8.152 13.060 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.248 9.542 10.470 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.365 11.143 11.971 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.016 9.498 12.157 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.893 10.153 13.372 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.007 11.487 11.328 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.436 10.511 12.702 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.938 10.093 11.045 1.00 0.00 H new ATOM 170 N THR A 12 -7.836 6.700 10.454 1.00 0.00 N ATOM 171 CA THR A 12 -8.911 5.808 10.028 1.00 0.00 C ATOM 172 C THR A 12 -10.272 6.480 10.182 1.00 0.00 C ATOM 173 O THR A 12 -10.357 7.682 10.435 1.00 0.00 O ATOM 174 CB THR A 12 -8.877 4.508 10.835 1.00 0.00 C ATOM 175 OG1 THR A 12 -9.450 4.697 12.117 1.00 0.00 O ATOM 176 CG2 THR A 12 -7.480 3.960 11.034 1.00 0.00 C ATOM 0 H THR A 12 -7.124 6.870 9.744 1.00 0.00 H new ATOM 0 HA THR A 12 -8.758 5.577 8.974 1.00 0.00 H new ATOM 0 HB THR A 12 -9.450 3.791 10.247 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.953 5.391 12.598 1.00 0.00 H new ATOM 0 HG21 THR A 12 -7.530 3.038 11.614 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.028 3.754 10.064 1.00 0.00 H new ATOM 0 HG23 THR A 12 -6.875 4.692 11.568 1.00 0.00 H new ATOM 184 N GLY A 13 -11.334 5.697 10.028 1.00 0.00 N ATOM 185 CA GLY A 13 -12.676 6.234 10.153 1.00 0.00 C ATOM 186 C GLY A 13 -13.739 5.153 10.153 1.00 0.00 C ATOM 187 O GLY A 13 -14.640 5.159 10.992 1.00 0.00 O ATOM 0 H GLY A 13 -11.289 4.700 9.819 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -12.748 6.810 11.076 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.865 6.924 9.331 1.00 0.00 H new ATOM 191 N SER A 14 -13.634 4.222 9.210 1.00 0.00 N ATOM 192 CA SER A 14 -14.595 3.130 9.104 1.00 0.00 C ATOM 193 C SER A 14 -14.120 1.909 9.887 1.00 0.00 C ATOM 194 O SER A 14 -13.198 1.998 10.697 1.00 0.00 O ATOM 195 CB SER A 14 -14.814 2.759 7.636 1.00 0.00 C ATOM 196 OG SER A 14 -14.449 3.826 6.779 1.00 0.00 O ATOM 0 H SER A 14 -12.894 4.202 8.509 1.00 0.00 H new ATOM 0 HA SER A 14 -15.540 3.466 9.531 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.227 1.874 7.390 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.861 2.502 7.475 1.00 0.00 H new ATOM 0 HG SER A 14 -14.612 3.568 5.848 1.00 0.00 H new ATOM 202 N ARG A 15 -14.756 0.768 9.638 1.00 0.00 N ATOM 203 CA ARG A 15 -14.398 -0.474 10.318 1.00 0.00 C ATOM 204 C ARG A 15 -13.709 -1.444 9.376 1.00 0.00 C ATOM 205 O ARG A 15 -13.098 -2.426 9.798 1.00 0.00 O ATOM 206 CB ARG A 15 -15.640 -1.127 10.916 1.00 0.00 C ATOM 207 CG ARG A 15 -16.206 -0.382 12.114 1.00 0.00 C ATOM 208 CD ARG A 15 -16.544 -1.331 13.253 1.00 0.00 C ATOM 209 NE ARG A 15 -17.139 -0.633 14.391 1.00 0.00 N ATOM 210 CZ ARG A 15 -18.417 -0.267 14.451 1.00 0.00 C ATOM 211 NH1 ARG A 15 -19.237 -0.527 13.440 1.00 0.00 N ATOM 212 NH2 ARG A 15 -18.877 0.361 15.524 1.00 0.00 N ATOM 0 H ARG A 15 -15.522 0.677 8.971 1.00 0.00 H new ATOM 0 HA ARG A 15 -13.701 -0.224 11.118 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.409 -1.197 10.147 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -15.395 -2.146 11.216 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.483 0.358 12.458 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -17.102 0.162 11.815 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -17.234 -2.095 12.895 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -15.639 -1.846 13.576 1.00 0.00 H new ATOM 0 HE ARG A 15 -16.539 -0.413 15.186 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -18.888 -1.010 12.612 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -20.216 -0.244 13.491 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -18.251 0.564 16.304 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -19.857 0.642 15.570 1.00 0.00 H new ATOM 226 N GLU A 16 -13.815 -1.145 8.106 1.00 0.00 N ATOM 227 CA GLU A 16 -13.210 -1.959 7.059 1.00 0.00 C ATOM 228 C GLU A 16 -11.905 -1.332 6.586 1.00 0.00 C ATOM 229 O GLU A 16 -10.968 -2.032 6.201 1.00 0.00 O ATOM 230 CB GLU A 16 -14.174 -2.115 5.881 1.00 0.00 C ATOM 231 CG GLU A 16 -14.487 -0.806 5.174 1.00 0.00 C ATOM 232 CD GLU A 16 -15.607 -0.943 4.162 1.00 0.00 C ATOM 233 OE1 GLU A 16 -16.455 -1.844 4.333 1.00 0.00 O ATOM 234 OE2 GLU A 16 -15.636 -0.150 3.198 1.00 0.00 O ATOM 0 H GLU A 16 -14.322 -0.331 7.759 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.996 -2.945 7.470 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.746 -2.813 5.162 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -15.104 -2.556 6.239 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.761 -0.054 5.914 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -13.590 -0.446 4.671 1.00 0.00 H new ATOM 241 N ILE A 17 -11.853 -0.004 6.621 1.00 0.00 N ATOM 242 CA ILE A 17 -10.668 0.730 6.200 1.00 0.00 C ATOM 243 C ILE A 17 -9.452 0.328 7.030 1.00 0.00 C ATOM 244 O ILE A 17 -8.328 0.300 6.529 1.00 0.00 O ATOM 245 CB ILE A 17 -10.886 2.252 6.322 1.00 0.00 C ATOM 246 CG1 ILE A 17 -12.112 2.679 5.513 1.00 0.00 C ATOM 247 CG2 ILE A 17 -9.650 3.010 5.857 1.00 0.00 C ATOM 248 CD1 ILE A 17 -11.958 2.464 4.023 1.00 0.00 C ATOM 0 H ILE A 17 -12.622 0.586 6.938 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.487 0.479 5.155 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.060 2.493 7.371 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -12.981 2.122 5.864 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.312 3.734 5.701 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.824 4.082 5.951 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.796 2.726 6.472 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.444 2.766 4.815 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.865 2.789 3.513 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -11.109 3.042 3.658 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -11.789 1.406 3.824 1.00 0.00 H new ATOM 260 N LYS A 18 -9.687 0.016 8.299 1.00 0.00 N ATOM 261 CA LYS A 18 -8.612 -0.387 9.198 1.00 0.00 C ATOM 262 C LYS A 18 -8.130 -1.797 8.871 1.00 0.00 C ATOM 263 O LYS A 18 -6.945 -2.103 8.996 1.00 0.00 O ATOM 264 CB LYS A 18 -9.082 -0.321 10.653 1.00 0.00 C ATOM 265 CG LYS A 18 -9.367 1.092 11.136 1.00 0.00 C ATOM 266 CD LYS A 18 -10.541 1.125 12.101 1.00 0.00 C ATOM 267 CE LYS A 18 -10.074 1.124 13.547 1.00 0.00 C ATOM 268 NZ LYS A 18 -10.058 2.496 14.127 1.00 0.00 N ATOM 0 H LYS A 18 -10.612 0.034 8.729 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.780 0.304 9.061 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.984 -0.923 10.762 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.321 -0.768 11.293 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.481 1.496 11.626 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.579 1.734 10.281 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.143 2.014 11.913 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.183 0.262 11.924 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.730 0.487 14.140 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.074 0.694 13.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.336 2.549 14.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.835 3.186 13.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.991 2.713 14.531 1.00 0.00 H new ATOM 282 N SER A 19 -9.058 -2.650 8.451 1.00 0.00 N ATOM 283 CA SER A 19 -8.730 -4.028 8.105 1.00 0.00 C ATOM 284 C SER A 19 -7.804 -4.078 6.893 1.00 0.00 C ATOM 285 O SER A 19 -6.999 -4.999 6.753 1.00 0.00 O ATOM 286 CB SER A 19 -10.005 -4.822 7.820 1.00 0.00 C ATOM 287 OG SER A 19 -11.042 -4.461 8.715 1.00 0.00 O ATOM 0 H SER A 19 -10.044 -2.411 8.342 1.00 0.00 H new ATOM 0 HA SER A 19 -8.214 -4.477 8.954 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.327 -4.643 6.794 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.800 -5.889 7.908 1.00 0.00 H new ATOM 0 HG SER A 19 -11.847 -4.982 8.510 1.00 0.00 H new ATOM 293 N GLN A 20 -7.924 -3.083 6.020 1.00 0.00 N ATOM 294 CA GLN A 20 -7.098 -3.016 4.820 1.00 0.00 C ATOM 295 C GLN A 20 -5.618 -2.955 5.181 1.00 0.00 C ATOM 296 O GLN A 20 -4.791 -3.636 4.573 1.00 0.00 O ATOM 297 CB GLN A 20 -7.480 -1.797 3.977 1.00 0.00 C ATOM 298 CG GLN A 20 -8.978 -1.649 3.758 1.00 0.00 C ATOM 299 CD GLN A 20 -9.622 -2.921 3.241 1.00 0.00 C ATOM 300 OE1 GLN A 20 -9.005 -3.687 2.500 1.00 0.00 O ATOM 301 NE2 GLN A 20 -10.870 -3.153 3.631 1.00 0.00 N ATOM 0 H GLN A 20 -8.585 -2.313 6.121 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.275 -3.920 4.238 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.102 -0.898 4.463 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.985 -1.867 3.008 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.452 -1.362 4.697 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.159 -0.841 3.050 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.344 -2.491 4.246 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.355 -3.993 3.316 1.00 0.00 H new ATOM 310 N GLN A 21 -5.290 -2.136 6.174 1.00 0.00 N ATOM 311 CA GLN A 21 -3.908 -1.985 6.617 1.00 0.00 C ATOM 312 C GLN A 21 -3.445 -3.219 7.385 1.00 0.00 C ATOM 313 O GLN A 21 -2.269 -3.581 7.345 1.00 0.00 O ATOM 314 CB GLN A 21 -3.765 -0.741 7.496 1.00 0.00 C ATOM 315 CG GLN A 21 -4.412 0.501 6.904 1.00 0.00 C ATOM 316 CD GLN A 21 -4.936 1.448 7.967 1.00 0.00 C ATOM 317 OE1 GLN A 21 -4.175 1.961 8.787 1.00 0.00 O ATOM 318 NE2 GLN A 21 -6.243 1.683 7.957 1.00 0.00 N ATOM 0 H GLN A 21 -5.962 -1.566 6.688 1.00 0.00 H new ATOM 0 HA GLN A 21 -3.280 -1.872 5.733 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -4.209 -0.942 8.471 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.706 -0.544 7.663 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.685 1.024 6.283 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.233 0.203 6.252 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -6.836 1.236 7.258 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -6.654 2.311 8.648 1.00 0.00 H new ATOM 327 N SER A 22 -4.376 -3.859 8.083 1.00 0.00 N ATOM 328 CA SER A 22 -4.063 -5.053 8.861 1.00 0.00 C ATOM 329 C SER A 22 -3.569 -6.179 7.959 1.00 0.00 C ATOM 330 O SER A 22 -2.661 -6.926 8.323 1.00 0.00 O ATOM 331 CB SER A 22 -5.294 -5.513 9.644 1.00 0.00 C ATOM 332 OG SER A 22 -4.922 -6.292 10.769 1.00 0.00 O ATOM 0 H SER A 22 -5.354 -3.572 8.127 1.00 0.00 H new ATOM 0 HA SER A 22 -3.268 -4.800 9.562 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.865 -4.645 9.972 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.946 -6.096 8.993 1.00 0.00 H new ATOM 0 HG SER A 22 -5.727 -6.572 11.253 1.00 0.00 H new ATOM 338 N GLU A 23 -4.173 -6.296 6.781 1.00 0.00 N ATOM 339 CA GLU A 23 -3.794 -7.333 5.828 1.00 0.00 C ATOM 340 C GLU A 23 -2.462 -7.002 5.164 1.00 0.00 C ATOM 341 O GLU A 23 -1.544 -7.822 5.150 1.00 0.00 O ATOM 342 CB GLU A 23 -4.880 -7.499 4.764 1.00 0.00 C ATOM 343 CG GLU A 23 -4.864 -8.858 4.084 1.00 0.00 C ATOM 344 CD GLU A 23 -4.938 -10.005 5.073 1.00 0.00 C ATOM 345 OE1 GLU A 23 -5.964 -10.117 5.776 1.00 0.00 O ATOM 346 OE2 GLU A 23 -3.970 -10.791 5.145 1.00 0.00 O ATOM 0 H GLU A 23 -4.926 -5.686 6.464 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.684 -8.270 6.374 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.855 -7.345 5.225 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.758 -6.723 4.009 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.704 -8.924 3.393 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.955 -8.953 3.491 1.00 0.00 H new ATOM 353 N VAL A 24 -2.363 -5.796 4.614 1.00 0.00 N ATOM 354 CA VAL A 24 -1.141 -5.358 3.949 1.00 0.00 C ATOM 355 C VAL A 24 0.050 -5.411 4.901 1.00 0.00 C ATOM 356 O VAL A 24 1.172 -5.708 4.491 1.00 0.00 O ATOM 357 CB VAL A 24 -1.285 -3.927 3.394 1.00 0.00 C ATOM 358 CG1 VAL A 24 -0.033 -3.514 2.635 1.00 0.00 C ATOM 359 CG2 VAL A 24 -2.514 -3.821 2.504 1.00 0.00 C ATOM 0 H VAL A 24 -3.114 -5.105 4.616 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.967 -6.042 3.119 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.411 -3.245 4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.157 -2.501 2.252 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.826 -3.546 3.305 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.130 -4.199 1.803 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.599 -2.804 2.121 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.420 -4.516 1.670 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.404 -4.067 3.082 1.00 0.00 H new ATOM 369 N THR A 25 -0.202 -5.123 6.174 1.00 0.00 N ATOM 370 CA THR A 25 0.850 -5.141 7.184 1.00 0.00 C ATOM 371 C THR A 25 1.126 -6.566 7.652 1.00 0.00 C ATOM 372 O THR A 25 2.254 -6.905 8.009 1.00 0.00 O ATOM 373 CB THR A 25 0.457 -4.267 8.376 1.00 0.00 C ATOM 374 OG1 THR A 25 -0.755 -4.720 8.952 1.00 0.00 O ATOM 375 CG2 THR A 25 0.277 -2.808 8.015 1.00 0.00 C ATOM 0 H THR A 25 -1.125 -4.875 6.530 1.00 0.00 H new ATOM 0 HA THR A 25 1.759 -4.741 6.735 1.00 0.00 H new ATOM 0 HB THR A 25 1.284 -4.351 9.081 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.490 -4.138 8.668 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.001 -2.244 8.906 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.211 -2.415 7.614 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.509 -2.713 7.265 1.00 0.00 H new ATOM 383 N ARG A 26 0.088 -7.396 7.649 1.00 0.00 N ATOM 384 CA ARG A 26 0.217 -8.785 8.073 1.00 0.00 C ATOM 385 C ARG A 26 1.114 -9.564 7.115 1.00 0.00 C ATOM 386 O ARG A 26 2.013 -10.289 7.541 1.00 0.00 O ATOM 387 CB ARG A 26 -1.161 -9.445 8.153 1.00 0.00 C ATOM 388 CG ARG A 26 -1.721 -9.515 9.564 1.00 0.00 C ATOM 389 CD ARG A 26 -2.531 -10.783 9.779 1.00 0.00 C ATOM 390 NE ARG A 26 -1.682 -11.970 9.854 1.00 0.00 N ATOM 391 CZ ARG A 26 -2.143 -13.217 9.794 1.00 0.00 C ATOM 392 NH1 ARG A 26 -3.444 -13.445 9.658 1.00 0.00 N ATOM 393 NH2 ARG A 26 -1.302 -14.239 9.869 1.00 0.00 N ATOM 0 H ARG A 26 -0.853 -7.130 7.357 1.00 0.00 H new ATOM 0 HA ARG A 26 0.675 -8.797 9.062 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.857 -8.892 7.522 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.095 -10.454 7.747 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.903 -9.478 10.284 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.350 -8.644 9.751 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.109 -10.692 10.699 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.245 -10.899 8.964 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.676 -11.835 9.959 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.095 -12.662 9.599 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.792 -14.403 9.613 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.302 -14.070 9.973 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.655 -15.195 9.823 1.00 0.00 H new ATOM 407 N ILE A 27 0.862 -9.409 5.819 1.00 0.00 N ATOM 408 CA ILE A 27 1.645 -10.097 4.801 1.00 0.00 C ATOM 409 C ILE A 27 3.056 -9.525 4.715 1.00 0.00 C ATOM 410 O ILE A 27 4.017 -10.253 4.466 1.00 0.00 O ATOM 411 CB ILE A 27 0.974 -10.001 3.417 1.00 0.00 C ATOM 412 CG1 ILE A 27 -0.489 -10.441 3.505 1.00 0.00 C ATOM 413 CG2 ILE A 27 1.726 -10.847 2.400 1.00 0.00 C ATOM 414 CD1 ILE A 27 -1.261 -10.240 2.219 1.00 0.00 C ATOM 0 H ILE A 27 0.121 -8.813 5.450 1.00 0.00 H new ATOM 0 HA ILE A 27 1.700 -11.145 5.096 1.00 0.00 H new ATOM 0 HB ILE A 27 1.004 -8.962 3.088 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.527 -11.495 3.781 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.979 -9.885 4.304 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.238 -10.767 1.429 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.754 -10.492 2.320 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.726 -11.888 2.722 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.290 -10.574 2.356 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.255 -9.183 1.952 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.795 -10.818 1.421 1.00 0.00 H new ATOM 426 N LEU A 28 3.174 -8.218 4.927 1.00 0.00 N ATOM 427 CA LEU A 28 4.470 -7.551 4.877 1.00 0.00 C ATOM 428 C LEU A 28 5.292 -7.871 6.120 1.00 0.00 C ATOM 429 O LEU A 28 6.496 -8.116 6.036 1.00 0.00 O ATOM 430 CB LEU A 28 4.284 -6.037 4.750 1.00 0.00 C ATOM 431 CG LEU A 28 3.788 -5.558 3.386 1.00 0.00 C ATOM 432 CD1 LEU A 28 3.420 -4.083 3.439 1.00 0.00 C ATOM 433 CD2 LEU A 28 4.842 -5.809 2.319 1.00 0.00 C ATOM 0 H LEU A 28 2.389 -7.601 5.135 1.00 0.00 H new ATOM 0 HA LEU A 28 5.007 -7.918 4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.578 -5.708 5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.235 -5.550 4.965 1.00 0.00 H new ATOM 0 HG LEU A 28 2.894 -6.124 3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.069 -3.760 2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.631 -3.931 4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.296 -3.499 3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.473 -5.462 1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.754 -5.269 2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.056 -6.876 2.263 1.00 0.00 H new ATOM 445 N ASP A 29 4.632 -7.868 7.274 1.00 0.00 N ATOM 446 CA ASP A 29 5.299 -8.159 8.537 1.00 0.00 C ATOM 447 C ASP A 29 5.830 -9.589 8.554 1.00 0.00 C ATOM 448 O ASP A 29 6.985 -9.829 8.906 1.00 0.00 O ATOM 449 CB ASP A 29 4.338 -7.945 9.708 1.00 0.00 C ATOM 450 CG ASP A 29 5.043 -7.987 11.050 1.00 0.00 C ATOM 451 OD1 ASP A 29 5.604 -9.048 11.392 1.00 0.00 O ATOM 452 OD2 ASP A 29 5.032 -6.958 11.758 1.00 0.00 O ATOM 0 H ASP A 29 3.636 -7.667 7.360 1.00 0.00 H new ATOM 0 HA ASP A 29 6.142 -7.476 8.640 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.838 -6.983 9.593 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.563 -8.712 9.683 1.00 0.00 H new ATOM 457 N GLY A 30 4.979 -10.535 8.170 1.00 0.00 N ATOM 458 CA GLY A 30 5.381 -11.929 8.146 1.00 0.00 C ATOM 459 C GLY A 30 6.578 -12.169 7.247 1.00 0.00 C ATOM 460 O GLY A 30 7.422 -13.017 7.537 1.00 0.00 O ATOM 0 H GLY A 30 4.018 -10.361 7.875 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.620 -12.253 9.159 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.545 -12.540 7.805 1.00 0.00 H new ATOM 464 N LYS A 31 6.651 -11.419 6.153 1.00 0.00 N ATOM 465 CA LYS A 31 7.754 -11.550 5.207 1.00 0.00 C ATOM 466 C LYS A 31 9.042 -10.956 5.774 1.00 0.00 C ATOM 467 O LYS A 31 10.122 -11.151 5.215 1.00 0.00 O ATOM 468 CB LYS A 31 7.402 -10.865 3.885 1.00 0.00 C ATOM 469 CG LYS A 31 6.561 -11.727 2.958 1.00 0.00 C ATOM 470 CD LYS A 31 6.088 -10.943 1.744 1.00 0.00 C ATOM 471 CE LYS A 31 6.931 -11.253 0.517 1.00 0.00 C ATOM 472 NZ LYS A 31 8.380 -11.012 0.763 1.00 0.00 N ATOM 0 H LYS A 31 5.959 -10.714 5.899 1.00 0.00 H new ATOM 0 HA LYS A 31 7.918 -12.613 5.029 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.864 -9.941 4.096 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.323 -10.587 3.373 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.144 -12.588 2.632 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.699 -12.113 3.501 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.044 -11.182 1.539 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.135 -9.875 1.958 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.780 -12.293 0.226 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.597 -10.637 -0.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.828 -10.669 -0.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.491 -10.299 1.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.834 -11.899 1.060 1.00 0.00 H new ATOM 486 N ARG A 32 8.925 -10.228 6.884 1.00 0.00 N ATOM 487 CA ARG A 32 10.084 -9.608 7.518 1.00 0.00 C ATOM 488 C ARG A 32 10.657 -8.501 6.637 1.00 0.00 C ATOM 489 O ARG A 32 11.872 -8.383 6.481 1.00 0.00 O ATOM 490 CB ARG A 32 11.158 -10.661 7.814 1.00 0.00 C ATOM 491 CG ARG A 32 11.624 -10.664 9.261 1.00 0.00 C ATOM 492 CD ARG A 32 12.538 -9.485 9.555 1.00 0.00 C ATOM 493 NE ARG A 32 12.844 -9.371 10.979 1.00 0.00 N ATOM 494 CZ ARG A 32 13.870 -8.675 11.464 1.00 0.00 C ATOM 495 NH1 ARG A 32 14.691 -8.031 10.645 1.00 0.00 N ATOM 496 NH2 ARG A 32 14.075 -8.624 12.773 1.00 0.00 N ATOM 0 H ARG A 32 8.040 -10.054 7.361 1.00 0.00 H new ATOM 0 HA ARG A 32 9.760 -9.164 8.459 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.766 -11.647 7.565 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.016 -10.485 7.165 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.759 -10.629 9.923 1.00 0.00 H new ATOM 0 HG3 ARG A 32 12.150 -11.595 9.473 1.00 0.00 H new ATOM 0 HD2 ARG A 32 13.465 -9.596 8.993 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.065 -8.565 9.211 1.00 0.00 H new ATOM 0 HE ARG A 32 12.236 -9.853 11.641 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.538 -8.067 9.637 1.00 0.00 H new ATOM 0 HH12 ARG A 32 15.475 -7.500 11.023 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.447 -9.118 13.407 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.861 -8.091 13.146 1.00 0.00 H new ATOM 510 N ILE A 33 9.772 -7.691 6.065 1.00 0.00 N ATOM 511 CA ILE A 33 10.186 -6.594 5.204 1.00 0.00 C ATOM 512 C ILE A 33 10.286 -5.292 5.986 1.00 0.00 C ATOM 513 O ILE A 33 9.700 -5.150 7.059 1.00 0.00 O ATOM 514 CB ILE A 33 9.208 -6.399 4.029 1.00 0.00 C ATOM 515 CG1 ILE A 33 8.949 -7.731 3.325 1.00 0.00 C ATOM 516 CG2 ILE A 33 9.754 -5.374 3.045 1.00 0.00 C ATOM 517 CD1 ILE A 33 8.007 -7.617 2.146 1.00 0.00 C ATOM 0 H ILE A 33 8.762 -7.776 6.184 1.00 0.00 H new ATOM 0 HA ILE A 33 11.168 -6.856 4.809 1.00 0.00 H new ATOM 0 HB ILE A 33 8.263 -6.027 4.424 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.898 -8.143 2.983 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.535 -8.438 4.044 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.050 -5.249 2.222 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.892 -4.419 3.553 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.712 -5.719 2.655 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.869 -8.599 1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.044 -7.235 2.485 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.429 -6.935 1.408 1.00 0.00 H new ATOM 529 N GLN A 34 11.032 -4.345 5.437 1.00 0.00 N ATOM 530 CA GLN A 34 11.216 -3.044 6.072 1.00 0.00 C ATOM 531 C GLN A 34 10.566 -1.943 5.241 1.00 0.00 C ATOM 532 O GLN A 34 11.118 -0.852 5.093 1.00 0.00 O ATOM 533 CB GLN A 34 12.706 -2.749 6.258 1.00 0.00 C ATOM 534 CG GLN A 34 13.378 -3.638 7.291 1.00 0.00 C ATOM 535 CD GLN A 34 12.870 -3.385 8.697 1.00 0.00 C ATOM 536 OE1 GLN A 34 13.485 -2.647 9.467 1.00 0.00 O ATOM 537 NE2 GLN A 34 11.743 -3.997 9.038 1.00 0.00 N ATOM 0 H GLN A 34 11.523 -4.452 4.549 1.00 0.00 H new ATOM 0 HA GLN A 34 10.736 -3.071 7.050 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.214 -2.870 5.301 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.827 -1.707 6.554 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.210 -4.683 7.030 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.455 -3.472 7.262 1.00 0.00 H new ATOM 0 HE21 GLN A 34 11.267 -4.600 8.367 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.353 -3.864 9.971 1.00 0.00 H new ATOM 546 N TYR A 35 9.391 -2.240 4.698 1.00 0.00 N ATOM 547 CA TYR A 35 8.660 -1.283 3.876 1.00 0.00 C ATOM 548 C TYR A 35 8.306 -0.029 4.671 1.00 0.00 C ATOM 549 O TYR A 35 8.210 -0.064 5.898 1.00 0.00 O ATOM 550 CB TYR A 35 7.388 -1.930 3.316 1.00 0.00 C ATOM 551 CG TYR A 35 6.286 -2.106 4.340 1.00 0.00 C ATOM 552 CD1 TYR A 35 6.352 -3.112 5.296 1.00 0.00 C ATOM 553 CD2 TYR A 35 5.182 -1.263 4.350 1.00 0.00 C ATOM 554 CE1 TYR A 35 5.348 -3.273 6.233 1.00 0.00 C ATOM 555 CE2 TYR A 35 4.175 -1.417 5.284 1.00 0.00 C ATOM 556 CZ TYR A 35 4.263 -2.422 6.223 1.00 0.00 C ATOM 557 OH TYR A 35 3.262 -2.579 7.154 1.00 0.00 O ATOM 0 H TYR A 35 8.923 -3.139 4.813 1.00 0.00 H new ATOM 0 HA TYR A 35 9.305 -0.987 3.048 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.013 -1.319 2.495 1.00 0.00 H new ATOM 0 HB3 TYR A 35 7.642 -2.904 2.899 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.201 -3.779 5.307 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.109 -0.474 3.616 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.413 -4.061 6.969 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.323 -0.753 5.278 1.00 0.00 H new ATOM 0 HH TYR A 35 3.183 -1.762 7.690 1.00 0.00 H new ATOM 567 N GLN A 36 8.104 1.076 3.959 1.00 0.00 N ATOM 568 CA GLN A 36 7.751 2.340 4.588 1.00 0.00 C ATOM 569 C GLN A 36 6.241 2.432 4.774 1.00 0.00 C ATOM 570 O GLN A 36 5.501 1.554 4.335 1.00 0.00 O ATOM 571 CB GLN A 36 8.247 3.510 3.732 1.00 0.00 C ATOM 572 CG GLN A 36 8.737 4.705 4.536 1.00 0.00 C ATOM 573 CD GLN A 36 9.729 4.321 5.616 1.00 0.00 C ATOM 574 OE1 GLN A 36 10.367 3.271 5.545 1.00 0.00 O ATOM 575 NE2 GLN A 36 9.863 5.173 6.626 1.00 0.00 N ATOM 0 H GLN A 36 8.180 1.119 2.943 1.00 0.00 H new ATOM 0 HA GLN A 36 8.229 2.390 5.566 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.057 3.160 3.092 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.439 3.834 3.076 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.202 5.425 3.862 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.883 5.203 4.994 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.314 6.032 6.645 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.515 4.968 7.383 1.00 0.00 H new ATOM 584 N LEU A 37 5.787 3.497 5.420 1.00 0.00 N ATOM 585 CA LEU A 37 4.370 3.695 5.651 1.00 0.00 C ATOM 586 C LEU A 37 4.028 5.165 5.532 1.00 0.00 C ATOM 587 O LEU A 37 3.999 5.895 6.522 1.00 0.00 O ATOM 588 CB LEU A 37 3.977 3.170 7.026 1.00 0.00 C ATOM 589 CG LEU A 37 2.513 2.750 7.167 1.00 0.00 C ATOM 590 CD1 LEU A 37 2.329 1.304 6.733 1.00 0.00 C ATOM 591 CD2 LEU A 37 2.039 2.945 8.599 1.00 0.00 C ATOM 0 H LEU A 37 6.383 4.236 5.792 1.00 0.00 H new ATOM 0 HA LEU A 37 3.810 3.140 4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.609 2.315 7.265 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.190 3.941 7.767 1.00 0.00 H new ATOM 0 HG LEU A 37 1.908 3.382 6.517 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.281 1.022 6.840 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.629 1.196 5.691 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.944 0.656 7.357 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.995 2.641 8.681 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.648 2.338 9.270 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.134 3.996 8.874 1.00 0.00 H new ATOM 603 N VAL A 38 3.773 5.590 4.309 1.00 0.00 N ATOM 604 CA VAL A 38 3.436 6.979 4.048 1.00 0.00 C ATOM 605 C VAL A 38 1.981 7.239 4.392 1.00 0.00 C ATOM 606 O VAL A 38 1.114 7.277 3.520 1.00 0.00 O ATOM 607 CB VAL A 38 3.695 7.367 2.579 1.00 0.00 C ATOM 608 CG1 VAL A 38 5.179 7.605 2.344 1.00 0.00 C ATOM 609 CG2 VAL A 38 3.162 6.300 1.634 1.00 0.00 C ATOM 0 H VAL A 38 3.792 4.995 3.481 1.00 0.00 H new ATOM 0 HA VAL A 38 4.080 7.593 4.678 1.00 0.00 H new ATOM 0 HB VAL A 38 3.162 8.295 2.372 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.343 7.878 1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.525 8.413 2.989 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.734 6.695 2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.357 6.597 0.603 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.659 5.352 1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.088 6.186 1.782 1.00 0.00 H new ATOM 619 N ASP A 39 1.724 7.411 5.681 1.00 0.00 N ATOM 620 CA ASP A 39 0.371 7.660 6.164 1.00 0.00 C ATOM 621 C ASP A 39 -0.024 9.116 5.944 1.00 0.00 C ATOM 622 O ASP A 39 0.575 10.028 6.512 1.00 0.00 O ATOM 623 CB ASP A 39 0.264 7.314 7.652 1.00 0.00 C ATOM 624 CG ASP A 39 0.933 5.996 7.992 1.00 0.00 C ATOM 625 OD1 ASP A 39 2.166 5.992 8.195 1.00 0.00 O ATOM 626 OD2 ASP A 39 0.226 4.970 8.058 1.00 0.00 O ATOM 0 H ASP A 39 2.434 7.383 6.412 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.311 7.024 5.599 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.719 8.111 8.240 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.787 7.268 7.936 1.00 0.00 H new ATOM 631 N ILE A 40 -1.037 9.322 5.107 1.00 0.00 N ATOM 632 CA ILE A 40 -1.516 10.663 4.798 1.00 0.00 C ATOM 633 C ILE A 40 -2.260 11.277 5.981 1.00 0.00 C ATOM 634 O ILE A 40 -2.382 12.497 6.081 1.00 0.00 O ATOM 635 CB ILE A 40 -2.443 10.659 3.567 1.00 0.00 C ATOM 636 CG1 ILE A 40 -3.654 9.757 3.812 1.00 0.00 C ATOM 637 CG2 ILE A 40 -1.681 10.206 2.329 1.00 0.00 C ATOM 638 CD1 ILE A 40 -4.725 9.887 2.751 1.00 0.00 C ATOM 0 H ILE A 40 -1.542 8.575 4.630 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.635 11.266 4.580 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.800 11.675 3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.322 8.720 3.857 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.085 9.996 4.784 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.350 10.209 1.469 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.850 10.886 2.144 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.297 9.198 2.487 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.554 9.220 2.987 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.084 10.916 2.721 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.309 9.619 1.780 1.00 0.00 H new ATOM 650 N SER A 41 -2.751 10.427 6.877 1.00 0.00 N ATOM 651 CA SER A 41 -3.477 10.895 8.053 1.00 0.00 C ATOM 652 C SER A 41 -2.610 11.839 8.881 1.00 0.00 C ATOM 653 O SER A 41 -3.121 12.700 9.598 1.00 0.00 O ATOM 654 CB SER A 41 -3.926 9.706 8.908 1.00 0.00 C ATOM 655 OG SER A 41 -5.339 9.658 9.013 1.00 0.00 O ATOM 0 H SER A 41 -2.660 9.413 6.812 1.00 0.00 H new ATOM 0 HA SER A 41 -4.359 11.441 7.717 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.559 8.779 8.468 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.487 9.783 9.903 1.00 0.00 H new ATOM 0 HG SER A 41 -5.670 8.834 8.598 1.00 0.00 H new ATOM 661 N GLN A 42 -1.296 11.672 8.772 1.00 0.00 N ATOM 662 CA GLN A 42 -0.353 12.508 9.505 1.00 0.00 C ATOM 663 C GLN A 42 -0.523 13.976 9.129 1.00 0.00 C ATOM 664 O GLN A 42 -0.944 14.793 9.948 1.00 0.00 O ATOM 665 CB GLN A 42 1.080 12.061 9.215 1.00 0.00 C ATOM 666 CG GLN A 42 2.123 12.780 10.053 1.00 0.00 C ATOM 667 CD GLN A 42 3.315 11.902 10.380 1.00 0.00 C ATOM 668 OE1 GLN A 42 3.282 11.117 11.327 1.00 0.00 O ATOM 669 NE2 GLN A 42 4.379 12.032 9.595 1.00 0.00 N ATOM 0 H GLN A 42 -0.860 10.964 8.182 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.556 12.398 10.570 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.160 10.989 9.392 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.297 12.227 8.160 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.465 13.666 9.519 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.665 13.124 10.980 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.363 12.695 8.820 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.212 11.468 9.767 1.00 0.00 H new ATOM 678 N ASP A 43 -0.190 14.302 7.885 1.00 0.00 N ATOM 679 CA ASP A 43 -0.303 15.672 7.397 1.00 0.00 C ATOM 680 C ASP A 43 -1.319 15.764 6.263 1.00 0.00 C ATOM 681 O ASP A 43 -1.564 14.789 5.554 1.00 0.00 O ATOM 682 CB ASP A 43 1.059 16.178 6.918 1.00 0.00 C ATOM 683 CG ASP A 43 1.851 16.842 8.027 1.00 0.00 C ATOM 684 OD1 ASP A 43 1.620 18.042 8.286 1.00 0.00 O ATOM 685 OD2 ASP A 43 2.703 16.163 8.638 1.00 0.00 O ATOM 0 H ASP A 43 0.160 13.637 7.196 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.647 16.297 8.221 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.633 15.343 6.515 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.914 16.888 6.104 1.00 0.00 H new ATOM 690 N ASN A 44 -1.907 16.945 6.100 1.00 0.00 N ATOM 691 CA ASN A 44 -2.897 17.168 5.053 1.00 0.00 C ATOM 692 C ASN A 44 -2.236 17.260 3.679 1.00 0.00 C ATOM 693 O ASN A 44 -2.885 17.052 2.654 1.00 0.00 O ATOM 694 CB ASN A 44 -3.687 18.447 5.337 1.00 0.00 C ATOM 695 CG ASN A 44 -5.142 18.331 4.928 1.00 0.00 C ATOM 696 OD1 ASN A 44 -6.042 18.408 5.765 1.00 0.00 O ATOM 697 ND2 ASN A 44 -5.381 18.144 3.635 1.00 0.00 N ATOM 0 H ASN A 44 -1.715 17.762 6.680 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.578 16.317 5.048 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.629 18.678 6.401 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.228 19.280 4.804 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.341 18.058 3.301 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.605 18.086 2.976 1.00 0.00 H new ATOM 704 N ALA A 45 -0.944 17.574 3.664 1.00 0.00 N ATOM 705 CA ALA A 45 -0.202 17.694 2.414 1.00 0.00 C ATOM 706 C ALA A 45 -0.123 16.356 1.689 1.00 0.00 C ATOM 707 O ALA A 45 -0.120 16.307 0.460 1.00 0.00 O ATOM 708 CB ALA A 45 1.194 18.237 2.679 1.00 0.00 C ATOM 0 H ALA A 45 -0.390 17.750 4.502 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.736 18.393 1.770 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.736 18.321 1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.120 19.220 3.144 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.727 17.559 3.346 1.00 0.00 H new ATOM 714 N LEU A 46 -0.065 15.274 2.455 1.00 0.00 N ATOM 715 CA LEU A 46 0.007 13.939 1.878 1.00 0.00 C ATOM 716 C LEU A 46 -1.291 13.607 1.154 1.00 0.00 C ATOM 717 O LEU A 46 -1.283 12.985 0.091 1.00 0.00 O ATOM 718 CB LEU A 46 0.278 12.902 2.968 1.00 0.00 C ATOM 719 CG LEU A 46 1.700 12.903 3.530 1.00 0.00 C ATOM 720 CD1 LEU A 46 2.688 12.411 2.483 1.00 0.00 C ATOM 721 CD2 LEU A 46 2.083 14.293 4.015 1.00 0.00 C ATOM 0 H LEU A 46 -0.066 15.295 3.475 1.00 0.00 H new ATOM 0 HA LEU A 46 0.827 13.916 1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.420 13.070 3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.064 11.912 2.566 1.00 0.00 H new ATOM 0 HG LEU A 46 1.733 12.222 4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.695 12.419 2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.427 11.396 2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.652 13.066 1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.098 14.273 4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.032 14.996 3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.394 14.608 4.799 1.00 0.00 H new ATOM 733 N ARG A 47 -2.404 14.035 1.737 1.00 0.00 N ATOM 734 CA ARG A 47 -3.717 13.795 1.152 1.00 0.00 C ATOM 735 C ARG A 47 -3.817 14.435 -0.229 1.00 0.00 C ATOM 736 O ARG A 47 -4.259 13.800 -1.187 1.00 0.00 O ATOM 737 CB ARG A 47 -4.814 14.346 2.068 1.00 0.00 C ATOM 738 CG ARG A 47 -5.741 13.275 2.619 1.00 0.00 C ATOM 739 CD ARG A 47 -6.208 13.613 4.025 1.00 0.00 C ATOM 740 NE ARG A 47 -6.572 12.419 4.784 1.00 0.00 N ATOM 741 CZ ARG A 47 -6.711 12.395 6.108 1.00 0.00 C ATOM 742 NH1 ARG A 47 -6.515 13.497 6.822 1.00 0.00 N ATOM 743 NH2 ARG A 47 -7.046 11.267 6.719 1.00 0.00 N ATOM 0 H ARG A 47 -2.423 14.551 2.617 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.853 12.719 1.045 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.349 14.876 2.900 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.405 15.077 1.515 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.605 13.168 1.963 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.225 12.315 2.627 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.418 14.149 4.550 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.066 14.283 3.971 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.729 11.553 4.269 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.257 14.367 6.357 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.623 13.474 7.836 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.197 10.418 6.175 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.152 11.249 7.733 1.00 0.00 H new ATOM 757 N ASP A 48 -3.400 15.695 -0.326 1.00 0.00 N ATOM 758 CA ASP A 48 -3.444 16.414 -1.595 1.00 0.00 C ATOM 759 C ASP A 48 -2.209 16.133 -2.439 1.00 0.00 C ATOM 760 O ASP A 48 -2.071 16.639 -3.553 1.00 0.00 O ATOM 761 CB ASP A 48 -3.590 17.916 -1.355 1.00 0.00 C ATOM 762 CG ASP A 48 -4.557 18.566 -2.326 1.00 0.00 C ATOM 763 OD1 ASP A 48 -5.771 18.582 -2.034 1.00 0.00 O ATOM 764 OD2 ASP A 48 -4.099 19.061 -3.378 1.00 0.00 O ATOM 0 H ASP A 48 -3.030 16.236 0.455 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.314 16.057 -2.146 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.934 18.086 -0.335 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.614 18.392 -1.445 1.00 0.00 H new ATOM 769 N GLU A 49 -1.330 15.310 -1.904 1.00 0.00 N ATOM 770 CA GLU A 49 -0.107 14.928 -2.598 1.00 0.00 C ATOM 771 C GLU A 49 -0.269 13.550 -3.228 1.00 0.00 C ATOM 772 O GLU A 49 0.311 13.258 -4.275 1.00 0.00 O ATOM 773 CB GLU A 49 1.082 14.930 -1.633 1.00 0.00 C ATOM 774 CG GLU A 49 2.386 14.475 -2.270 1.00 0.00 C ATOM 775 CD GLU A 49 3.093 13.408 -1.456 1.00 0.00 C ATOM 776 OE1 GLU A 49 3.711 13.757 -0.429 1.00 0.00 O ATOM 777 OE2 GLU A 49 3.028 12.224 -1.847 1.00 0.00 O ATOM 0 H GLU A 49 -1.438 14.887 -0.982 1.00 0.00 H new ATOM 0 HA GLU A 49 0.085 15.656 -3.386 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.214 15.936 -1.235 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.854 14.280 -0.788 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.183 14.089 -3.269 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.047 15.334 -2.388 1.00 0.00 H new ATOM 784 N MET A 50 -1.070 12.709 -2.581 1.00 0.00 N ATOM 785 CA MET A 50 -1.322 11.360 -3.069 1.00 0.00 C ATOM 786 C MET A 50 -2.386 11.373 -4.161 1.00 0.00 C ATOM 787 O MET A 50 -2.235 10.725 -5.197 1.00 0.00 O ATOM 788 CB MET A 50 -1.767 10.455 -1.918 1.00 0.00 C ATOM 789 CG MET A 50 -1.394 8.994 -2.111 1.00 0.00 C ATOM 790 SD MET A 50 -2.616 8.089 -3.081 1.00 0.00 S ATOM 791 CE MET A 50 -3.918 7.875 -1.870 1.00 0.00 C ATOM 0 H MET A 50 -1.556 12.940 -1.715 1.00 0.00 H new ATOM 0 HA MET A 50 -0.395 10.970 -3.490 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.321 10.815 -0.991 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.848 10.533 -1.803 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.425 8.933 -2.606 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.285 8.519 -1.136 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.648 7.156 -2.243 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.490 7.507 -0.937 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.409 8.831 -1.691 1.00 0.00 H new ATOM 801 N ARG A 51 -3.461 12.118 -3.922 1.00 0.00 N ATOM 802 CA ARG A 51 -4.551 12.219 -4.886 1.00 0.00 C ATOM 803 C ARG A 51 -4.048 12.771 -6.216 1.00 0.00 C ATOM 804 O ARG A 51 -4.529 12.384 -7.282 1.00 0.00 O ATOM 805 CB ARG A 51 -5.665 13.113 -4.334 1.00 0.00 C ATOM 806 CG ARG A 51 -6.866 12.339 -3.818 1.00 0.00 C ATOM 807 CD ARG A 51 -6.725 12.011 -2.341 1.00 0.00 C ATOM 808 NE ARG A 51 -7.831 11.188 -1.855 1.00 0.00 N ATOM 809 CZ ARG A 51 -8.019 10.880 -0.574 1.00 0.00 C ATOM 810 NH1 ARG A 51 -7.180 11.325 0.353 1.00 0.00 N ATOM 811 NH2 ARG A 51 -9.050 10.126 -0.219 1.00 0.00 N ATOM 0 H ARG A 51 -3.600 12.660 -3.069 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.950 11.219 -5.056 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.262 13.724 -3.526 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.993 13.796 -5.117 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.772 12.923 -3.977 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.978 11.416 -4.388 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.783 11.488 -2.174 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.682 12.936 -1.767 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.498 10.829 -2.538 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.386 11.906 0.085 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.329 11.086 1.333 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.698 9.782 -0.927 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.195 9.889 0.763 1.00 0.00 H new ATOM 825 N ALA A 52 -3.077 13.675 -6.146 1.00 0.00 N ATOM 826 CA ALA A 52 -2.508 14.280 -7.344 1.00 0.00 C ATOM 827 C ALA A 52 -1.628 13.287 -8.095 1.00 0.00 C ATOM 828 O ALA A 52 -1.826 13.043 -9.285 1.00 0.00 O ATOM 829 CB ALA A 52 -1.710 15.523 -6.979 1.00 0.00 C ATOM 0 H ALA A 52 -2.668 14.005 -5.272 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.329 14.568 -8.001 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.291 15.965 -7.883 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.365 16.246 -6.492 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.902 15.250 -6.300 1.00 0.00 H new ATOM 835 N LEU A 53 -0.656 12.715 -7.391 1.00 0.00 N ATOM 836 CA LEU A 53 0.254 11.747 -7.993 1.00 0.00 C ATOM 837 C LEU A 53 -0.484 10.465 -8.369 1.00 0.00 C ATOM 838 O LEU A 53 -0.094 9.765 -9.303 1.00 0.00 O ATOM 839 CB LEU A 53 1.400 11.426 -7.030 1.00 0.00 C ATOM 840 CG LEU A 53 0.994 10.652 -5.775 1.00 0.00 C ATOM 841 CD1 LEU A 53 0.929 9.161 -6.066 1.00 0.00 C ATOM 842 CD2 LEU A 53 1.967 10.933 -4.640 1.00 0.00 C ATOM 0 H LEU A 53 -0.479 12.905 -6.405 1.00 0.00 H new ATOM 0 HA LEU A 53 0.664 12.188 -8.902 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.154 10.849 -7.566 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.871 12.361 -6.725 1.00 0.00 H new ATOM 0 HG LEU A 53 0.002 10.985 -5.469 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.639 8.626 -5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.194 8.975 -6.849 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.907 8.812 -6.396 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.664 10.375 -3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.970 10.627 -4.936 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.965 11.999 -4.415 1.00 0.00 H new ATOM 854 N ALA A 54 -1.549 10.164 -7.634 1.00 0.00 N ATOM 855 CA ALA A 54 -2.341 8.966 -7.888 1.00 0.00 C ATOM 856 C ALA A 54 -3.290 9.163 -9.066 1.00 0.00 C ATOM 857 O ALA A 54 -3.782 8.194 -9.643 1.00 0.00 O ATOM 858 CB ALA A 54 -3.120 8.576 -6.642 1.00 0.00 C ATOM 0 H ALA A 54 -1.884 10.734 -6.857 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.654 8.160 -8.145 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.707 7.680 -6.845 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.425 8.377 -5.826 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.787 9.391 -6.360 1.00 0.00 H new ATOM 864 N GLY A 55 -3.550 10.419 -9.418 1.00 0.00 N ATOM 865 CA GLY A 55 -4.445 10.705 -10.523 1.00 0.00 C ATOM 866 C GLY A 55 -5.827 10.125 -10.303 1.00 0.00 C ATOM 867 O GLY A 55 -6.389 9.483 -11.190 1.00 0.00 O ATOM 0 H GLY A 55 -3.158 11.241 -8.959 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.522 11.784 -10.656 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.025 10.300 -11.443 1.00 0.00 H new ATOM 871 N ASN A 56 -6.373 10.350 -9.113 1.00 0.00 N ATOM 872 CA ASN A 56 -7.694 9.848 -8.764 1.00 0.00 C ATOM 873 C ASN A 56 -8.078 10.295 -7.374 1.00 0.00 C ATOM 874 O ASN A 56 -7.464 9.900 -6.383 1.00 0.00 O ATOM 875 CB ASN A 56 -7.741 8.322 -8.858 1.00 0.00 C ATOM 876 CG ASN A 56 -9.135 7.771 -8.632 1.00 0.00 C ATOM 877 OD1 ASN A 56 -10.042 7.998 -9.432 1.00 0.00 O ATOM 878 ND2 ASN A 56 -9.313 7.042 -7.536 1.00 0.00 N ATOM 0 H ASN A 56 -5.917 10.880 -8.371 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.410 10.258 -9.476 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.385 8.010 -9.840 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -7.061 7.894 -8.122 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.230 6.645 -7.331 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.533 6.879 -6.900 1.00 0.00 H new ATOM 885 N PRO A 57 -9.102 11.146 -7.289 1.00 0.00 N ATOM 886 CA PRO A 57 -9.582 11.679 -6.034 1.00 0.00 C ATOM 887 C PRO A 57 -10.615 10.774 -5.369 1.00 0.00 C ATOM 888 O PRO A 57 -11.434 11.229 -4.570 1.00 0.00 O ATOM 889 CB PRO A 57 -10.210 13.013 -6.449 1.00 0.00 C ATOM 890 CG PRO A 57 -10.183 13.066 -7.944 1.00 0.00 C ATOM 891 CD PRO A 57 -9.874 11.682 -8.412 1.00 0.00 C ATOM 0 HA PRO A 57 -8.788 11.775 -5.294 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.233 13.089 -6.079 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -9.655 13.849 -6.024 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.142 13.404 -8.338 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.429 13.771 -8.294 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.778 11.103 -8.599 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -9.300 11.683 -9.338 1.00 0.00 H new ATOM 899 N LYS A 58 -10.560 9.491 -5.699 1.00 0.00 N ATOM 900 CA LYS A 58 -11.477 8.509 -5.134 1.00 0.00 C ATOM 901 C LYS A 58 -10.714 7.309 -4.570 1.00 0.00 C ATOM 902 O LYS A 58 -11.317 6.360 -4.069 1.00 0.00 O ATOM 903 CB LYS A 58 -12.476 8.043 -6.197 1.00 0.00 C ATOM 904 CG LYS A 58 -13.927 8.155 -5.757 1.00 0.00 C ATOM 905 CD LYS A 58 -14.688 6.861 -5.999 1.00 0.00 C ATOM 906 CE LYS A 58 -16.064 6.894 -5.354 1.00 0.00 C ATOM 907 NZ LYS A 58 -16.953 7.904 -5.992 1.00 0.00 N ATOM 0 H LYS A 58 -9.886 9.104 -6.359 1.00 0.00 H new ATOM 0 HA LYS A 58 -12.021 8.984 -4.318 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.333 8.633 -7.102 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.262 7.006 -6.455 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.968 8.409 -4.698 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.410 8.968 -6.299 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.792 6.694 -7.071 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.118 6.022 -5.599 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.523 5.908 -5.428 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.962 7.119 -4.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.887 7.883 -5.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.536 8.851 -5.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.058 7.685 -7.003 1.00 0.00 H new ATOM 921 N ALA A 59 -9.384 7.357 -4.655 1.00 0.00 N ATOM 922 CA ALA A 59 -8.545 6.275 -4.155 1.00 0.00 C ATOM 923 C ALA A 59 -8.784 6.033 -2.667 1.00 0.00 C ATOM 924 O ALA A 59 -9.787 6.479 -2.110 1.00 0.00 O ATOM 925 CB ALA A 59 -7.078 6.589 -4.415 1.00 0.00 C ATOM 0 H ALA A 59 -8.868 8.135 -5.066 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.812 5.362 -4.688 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.459 5.775 -4.038 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.915 6.703 -5.487 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.808 7.515 -3.907 1.00 0.00 H new ATOM 931 N THR A 60 -7.858 5.323 -2.030 1.00 0.00 N ATOM 932 CA THR A 60 -7.969 5.020 -0.608 1.00 0.00 C ATOM 933 C THR A 60 -6.600 5.065 0.065 1.00 0.00 C ATOM 934 O THR A 60 -5.569 4.982 -0.603 1.00 0.00 O ATOM 935 CB THR A 60 -8.604 3.642 -0.410 1.00 0.00 C ATOM 936 OG1 THR A 60 -7.787 2.629 -0.970 1.00 0.00 O ATOM 937 CG2 THR A 60 -9.978 3.521 -1.032 1.00 0.00 C ATOM 0 H THR A 60 -7.022 4.947 -2.477 1.00 0.00 H new ATOM 0 HA THR A 60 -8.605 5.776 -0.147 1.00 0.00 H new ATOM 0 HB THR A 60 -8.700 3.520 0.669 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.209 1.755 -0.832 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.371 2.520 -0.855 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.646 4.257 -0.585 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.909 3.699 -2.105 1.00 0.00 H new ATOM 945 N PRO A 61 -6.570 5.200 1.402 1.00 0.00 N ATOM 946 CA PRO A 61 -5.318 5.258 2.161 1.00 0.00 C ATOM 947 C PRO A 61 -4.348 4.131 1.799 1.00 0.00 C ATOM 948 O PRO A 61 -3.171 4.384 1.550 1.00 0.00 O ATOM 949 CB PRO A 61 -5.777 5.127 3.614 1.00 0.00 C ATOM 950 CG PRO A 61 -7.169 5.656 3.619 1.00 0.00 C ATOM 951 CD PRO A 61 -7.753 5.310 2.277 1.00 0.00 C ATOM 0 HA PRO A 61 -4.765 6.174 1.953 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.746 4.090 3.947 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.134 5.697 4.285 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.752 5.210 4.424 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.175 6.734 3.780 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.314 4.376 2.312 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.440 6.081 1.928 1.00 0.00 H new ATOM 959 N PRO A 62 -4.820 2.869 1.766 1.00 0.00 N ATOM 960 CA PRO A 62 -3.962 1.725 1.435 1.00 0.00 C ATOM 961 C PRO A 62 -3.517 1.731 -0.024 1.00 0.00 C ATOM 962 O PRO A 62 -4.211 1.213 -0.899 1.00 0.00 O ATOM 963 CB PRO A 62 -4.851 0.513 1.721 1.00 0.00 C ATOM 964 CG PRO A 62 -6.243 1.022 1.588 1.00 0.00 C ATOM 965 CD PRO A 62 -6.208 2.453 2.049 1.00 0.00 C ATOM 0 HA PRO A 62 -3.037 1.734 2.011 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.656 -0.295 1.016 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.669 0.116 2.720 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.586 0.953 0.556 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.933 0.434 2.193 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.929 3.067 1.510 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.445 2.540 3.109 1.00 0.00 H new ATOM 973 N GLN A 63 -2.351 2.317 -0.275 1.00 0.00 N ATOM 974 CA GLN A 63 -1.800 2.391 -1.625 1.00 0.00 C ATOM 975 C GLN A 63 -0.285 2.227 -1.594 1.00 0.00 C ATOM 976 O GLN A 63 0.429 3.072 -1.053 1.00 0.00 O ATOM 977 CB GLN A 63 -2.169 3.724 -2.279 1.00 0.00 C ATOM 978 CG GLN A 63 -3.666 3.929 -2.444 1.00 0.00 C ATOM 979 CD GLN A 63 -4.225 3.206 -3.653 1.00 0.00 C ATOM 980 OE1 GLN A 63 -3.487 2.840 -4.568 1.00 0.00 O ATOM 981 NE2 GLN A 63 -5.536 2.995 -3.662 1.00 0.00 N ATOM 0 H GLN A 63 -1.767 2.749 0.441 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.227 1.579 -2.214 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.764 4.538 -1.678 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.693 3.783 -3.258 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.178 3.579 -1.548 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.875 4.995 -2.534 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.110 3.316 -2.882 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.969 2.512 -4.449 1.00 0.00 H new ATOM 990 N ILE A 64 0.201 1.133 -2.170 1.00 0.00 N ATOM 991 CA ILE A 64 1.633 0.859 -2.198 1.00 0.00 C ATOM 992 C ILE A 64 2.306 1.527 -3.392 1.00 0.00 C ATOM 993 O ILE A 64 1.801 1.479 -4.515 1.00 0.00 O ATOM 994 CB ILE A 64 1.917 -0.654 -2.243 1.00 0.00 C ATOM 995 CG1 ILE A 64 1.070 -1.387 -1.201 1.00 0.00 C ATOM 996 CG2 ILE A 64 3.397 -0.921 -2.013 1.00 0.00 C ATOM 997 CD1 ILE A 64 -0.180 -2.019 -1.774 1.00 0.00 C ATOM 0 H ILE A 64 -0.374 0.423 -2.623 1.00 0.00 H new ATOM 0 HA ILE A 64 2.046 1.272 -1.278 1.00 0.00 H new ATOM 0 HB ILE A 64 1.648 -1.030 -3.230 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.676 -2.161 -0.731 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.786 -0.685 -0.417 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.583 -1.995 -2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.981 -0.427 -2.789 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.689 -0.533 -1.037 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.731 -2.521 -0.979 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.807 -1.246 -2.219 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.097 -2.745 -2.538 1.00 0.00 H new ATOM 1009 N VAL A 65 3.453 2.147 -3.139 1.00 0.00 N ATOM 1010 CA VAL A 65 4.206 2.825 -4.185 1.00 0.00 C ATOM 1011 C VAL A 65 5.633 2.290 -4.253 1.00 0.00 C ATOM 1012 O VAL A 65 6.276 2.070 -3.227 1.00 0.00 O ATOM 1013 CB VAL A 65 4.242 4.349 -3.951 1.00 0.00 C ATOM 1014 CG1 VAL A 65 5.018 5.055 -5.054 1.00 0.00 C ATOM 1015 CG2 VAL A 65 2.828 4.902 -3.849 1.00 0.00 C ATOM 0 H VAL A 65 3.882 2.194 -2.215 1.00 0.00 H new ATOM 0 HA VAL A 65 3.700 2.628 -5.130 1.00 0.00 H new ATOM 0 HB VAL A 65 4.757 4.536 -3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.027 6.128 -4.863 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.042 4.682 -5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.542 4.861 -6.015 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.869 5.979 -3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.290 4.697 -4.774 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.311 4.427 -3.016 1.00 0.00 H new ATOM 1025 N ASN A 66 6.118 2.080 -5.470 1.00 0.00 N ATOM 1026 CA ASN A 66 7.466 1.567 -5.680 1.00 0.00 C ATOM 1027 C ASN A 66 8.455 2.709 -5.889 1.00 0.00 C ATOM 1028 O ASN A 66 9.005 2.879 -6.977 1.00 0.00 O ATOM 1029 CB ASN A 66 7.494 0.622 -6.883 1.00 0.00 C ATOM 1030 CG ASN A 66 8.857 -0.008 -7.091 1.00 0.00 C ATOM 1031 OD1 ASN A 66 9.435 0.078 -8.175 1.00 0.00 O ATOM 1032 ND2 ASN A 66 9.379 -0.646 -6.050 1.00 0.00 N ATOM 0 H ASN A 66 5.597 2.257 -6.329 1.00 0.00 H new ATOM 0 HA ASN A 66 7.761 1.014 -4.788 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.751 -0.163 -6.742 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.210 1.172 -7.780 1.00 0.00 H new ATOM 0 HD21 ASN A 66 10.294 -1.089 -6.130 1.00 0.00 H new ATOM 0 HD22 ASN A 66 8.865 -0.693 -5.170 1.00 0.00 H new ATOM 1039 N GLY A 67 8.676 3.490 -4.837 1.00 0.00 N ATOM 1040 CA GLY A 67 9.598 4.606 -4.924 1.00 0.00 C ATOM 1041 C GLY A 67 8.903 5.908 -5.264 1.00 0.00 C ATOM 1042 O GLY A 67 8.922 6.853 -4.476 1.00 0.00 O ATOM 0 H GLY A 67 8.233 3.370 -3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.122 4.715 -3.974 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.352 4.392 -5.681 1.00 0.00 H new ATOM 1046 N ASP A 68 8.289 5.958 -6.440 1.00 0.00 N ATOM 1047 CA ASP A 68 7.586 7.155 -6.881 1.00 0.00 C ATOM 1048 C ASP A 68 6.617 6.834 -8.013 1.00 0.00 C ATOM 1049 O ASP A 68 6.344 7.680 -8.865 1.00 0.00 O ATOM 1050 CB ASP A 68 8.585 8.220 -7.337 1.00 0.00 C ATOM 1051 CG ASP A 68 7.934 9.574 -7.542 1.00 0.00 C ATOM 1052 OD1 ASP A 68 7.666 10.262 -6.535 1.00 0.00 O ATOM 1053 OD2 ASP A 68 7.692 9.945 -8.710 1.00 0.00 O ATOM 0 H ASP A 68 8.264 5.184 -7.104 1.00 0.00 H new ATOM 0 HA ASP A 68 7.014 7.540 -6.037 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.379 8.310 -6.596 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.053 7.900 -8.268 1.00 0.00 H new ATOM 1058 N GLN A 69 6.097 5.610 -8.020 1.00 0.00 N ATOM 1059 CA GLN A 69 5.159 5.190 -9.048 1.00 0.00 C ATOM 1060 C GLN A 69 3.901 4.610 -8.422 1.00 0.00 C ATOM 1061 O GLN A 69 3.925 4.109 -7.299 1.00 0.00 O ATOM 1062 CB GLN A 69 5.806 4.157 -9.967 1.00 0.00 C ATOM 1063 CG GLN A 69 6.373 4.747 -11.247 1.00 0.00 C ATOM 1064 CD GLN A 69 7.872 4.960 -11.177 1.00 0.00 C ATOM 1065 OE1 GLN A 69 8.649 4.007 -11.230 1.00 0.00 O ATOM 1066 NE2 GLN A 69 8.286 6.216 -11.055 1.00 0.00 N ATOM 0 H GLN A 69 6.311 4.895 -7.325 1.00 0.00 H new ATOM 0 HA GLN A 69 4.884 6.065 -9.636 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.606 3.652 -9.425 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.066 3.399 -10.224 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.143 4.084 -12.081 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.884 5.699 -11.452 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.606 6.975 -11.015 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.284 6.421 -11.001 1.00 0.00 H new ATOM 1075 N TYR A 70 2.805 4.678 -9.157 1.00 0.00 N ATOM 1076 CA TYR A 70 1.534 4.158 -8.677 1.00 0.00 C ATOM 1077 C TYR A 70 1.423 2.664 -8.952 1.00 0.00 C ATOM 1078 O TYR A 70 1.031 2.251 -10.044 1.00 0.00 O ATOM 1079 CB TYR A 70 0.374 4.901 -9.341 1.00 0.00 C ATOM 1080 CG TYR A 70 -0.960 4.669 -8.669 1.00 0.00 C ATOM 1081 CD1 TYR A 70 -1.074 4.681 -7.284 1.00 0.00 C ATOM 1082 CD2 TYR A 70 -2.107 4.440 -9.419 1.00 0.00 C ATOM 1083 CE1 TYR A 70 -2.292 4.471 -6.667 1.00 0.00 C ATOM 1084 CE2 TYR A 70 -3.329 4.230 -8.809 1.00 0.00 C ATOM 1085 CZ TYR A 70 -3.416 4.246 -7.433 1.00 0.00 C ATOM 1086 OH TYR A 70 -4.630 4.036 -6.822 1.00 0.00 O ATOM 0 H TYR A 70 2.768 5.089 -10.090 1.00 0.00 H new ATOM 0 HA TYR A 70 1.486 4.315 -7.599 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.590 5.969 -9.340 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.305 4.591 -10.384 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.196 4.857 -6.680 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -2.042 4.426 -10.497 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.363 4.483 -5.589 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.211 4.054 -9.407 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.502 3.486 -6.021 1.00 0.00 H new ATOM 1096 N CYS A 71 1.775 1.855 -7.958 1.00 0.00 N ATOM 1097 CA CYS A 71 1.716 0.405 -8.105 1.00 0.00 C ATOM 1098 C CYS A 71 0.282 -0.102 -7.935 1.00 0.00 C ATOM 1099 O CYS A 71 -0.458 -0.215 -8.912 1.00 0.00 O ATOM 1100 CB CYS A 71 2.648 -0.269 -7.094 1.00 0.00 C ATOM 1101 SG CYS A 71 4.320 -0.562 -7.715 1.00 0.00 S ATOM 0 H CYS A 71 2.102 2.176 -7.047 1.00 0.00 H new ATOM 0 HA CYS A 71 2.048 0.148 -9.111 1.00 0.00 H new ATOM 0 HB2 CYS A 71 2.707 0.352 -6.200 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.212 -1.221 -6.792 1.00 0.00 H new ATOM 0 HG CYS A 71 4.968 -1.316 -6.877 1.00 0.00 H new ATOM 1107 N GLY A 72 -0.111 -0.405 -6.699 1.00 0.00 N ATOM 1108 CA GLY A 72 -1.456 -0.891 -6.453 1.00 0.00 C ATOM 1109 C GLY A 72 -1.931 -0.614 -5.041 1.00 0.00 C ATOM 1110 O GLY A 72 -1.228 0.019 -4.252 1.00 0.00 O ATOM 0 H GLY A 72 0.476 -0.323 -5.869 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.141 -0.424 -7.160 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.489 -1.965 -6.639 1.00 0.00 H new ATOM 1114 N ASP A 73 -3.130 -1.090 -4.725 1.00 0.00 N ATOM 1115 CA ASP A 73 -3.710 -0.897 -3.402 1.00 0.00 C ATOM 1116 C ASP A 73 -3.977 -2.243 -2.729 1.00 0.00 C ATOM 1117 O ASP A 73 -3.434 -3.268 -3.141 1.00 0.00 O ATOM 1118 CB ASP A 73 -5.008 -0.089 -3.512 1.00 0.00 C ATOM 1119 CG ASP A 73 -6.112 -0.854 -4.217 1.00 0.00 C ATOM 1120 OD1 ASP A 73 -6.824 -1.626 -3.541 1.00 0.00 O ATOM 1121 OD2 ASP A 73 -6.263 -0.682 -5.445 1.00 0.00 O ATOM 0 H ASP A 73 -3.721 -1.614 -5.370 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.000 -0.343 -2.788 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.344 0.189 -2.513 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.811 0.837 -4.052 1.00 0.00 H new ATOM 1126 N TYR A 74 -4.815 -2.236 -1.696 1.00 0.00 N ATOM 1127 CA TYR A 74 -5.152 -3.458 -0.972 1.00 0.00 C ATOM 1128 C TYR A 74 -5.557 -4.572 -1.937 1.00 0.00 C ATOM 1129 O TYR A 74 -5.163 -5.725 -1.770 1.00 0.00 O ATOM 1130 CB TYR A 74 -6.285 -3.188 0.022 1.00 0.00 C ATOM 1131 CG TYR A 74 -6.785 -4.428 0.732 1.00 0.00 C ATOM 1132 CD1 TYR A 74 -7.622 -5.331 0.088 1.00 0.00 C ATOM 1133 CD2 TYR A 74 -6.420 -4.694 2.046 1.00 0.00 C ATOM 1134 CE1 TYR A 74 -8.080 -6.463 0.733 1.00 0.00 C ATOM 1135 CE2 TYR A 74 -6.874 -5.825 2.697 1.00 0.00 C ATOM 1136 CZ TYR A 74 -7.703 -6.706 2.037 1.00 0.00 C ATOM 1137 OH TYR A 74 -8.158 -7.833 2.682 1.00 0.00 O ATOM 0 H TYR A 74 -5.274 -1.397 -1.341 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.267 -3.783 -0.425 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.940 -2.470 0.765 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.117 -2.724 -0.507 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.919 -5.145 -0.933 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.771 -4.006 2.567 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.730 -7.155 0.218 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.581 -6.018 3.718 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.799 -7.856 3.594 1.00 0.00 H new ATOM 1147 N GLU A 75 -6.349 -4.216 -2.943 1.00 0.00 N ATOM 1148 CA GLU A 75 -6.811 -5.174 -3.931 1.00 0.00 C ATOM 1149 C GLU A 75 -5.648 -5.739 -4.742 1.00 0.00 C ATOM 1150 O GLU A 75 -5.493 -6.952 -4.857 1.00 0.00 O ATOM 1151 CB GLU A 75 -7.820 -4.500 -4.857 1.00 0.00 C ATOM 1152 CG GLU A 75 -9.077 -5.318 -5.083 1.00 0.00 C ATOM 1153 CD GLU A 75 -9.211 -5.807 -6.512 1.00 0.00 C ATOM 1154 OE1 GLU A 75 -8.823 -5.059 -7.434 1.00 0.00 O ATOM 1155 OE2 GLU A 75 -9.704 -6.938 -6.709 1.00 0.00 O ATOM 0 H GLU A 75 -6.684 -3.264 -3.093 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.287 -6.005 -3.411 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.096 -3.533 -4.437 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.345 -4.306 -5.819 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.073 -6.175 -4.409 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.948 -4.715 -4.827 1.00 0.00 H new ATOM 1162 N LEU A 76 -4.836 -4.849 -5.305 1.00 0.00 N ATOM 1163 CA LEU A 76 -3.691 -5.249 -6.110 1.00 0.00 C ATOM 1164 C LEU A 76 -2.800 -6.242 -5.365 1.00 0.00 C ATOM 1165 O LEU A 76 -2.680 -7.403 -5.761 1.00 0.00 O ATOM 1166 CB LEU A 76 -2.879 -4.012 -6.506 1.00 0.00 C ATOM 1167 CG LEU A 76 -2.113 -4.129 -7.824 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -1.455 -5.491 -7.931 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -3.041 -3.884 -9.004 1.00 0.00 C ATOM 0 H LEU A 76 -4.953 -3.840 -5.216 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.065 -5.744 -7.006 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.555 -3.160 -6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.168 -3.794 -5.709 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.333 -3.368 -7.842 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.913 -5.560 -8.874 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.760 -5.625 -7.102 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.219 -6.268 -7.893 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.478 -3.971 -9.934 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.844 -4.621 -8.995 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.467 -2.883 -8.930 1.00 0.00 H new ATOM 1181 N PHE A 77 -2.172 -5.777 -4.290 1.00 0.00 N ATOM 1182 CA PHE A 77 -1.282 -6.617 -3.491 1.00 0.00 C ATOM 1183 C PHE A 77 -1.918 -7.969 -3.173 1.00 0.00 C ATOM 1184 O PHE A 77 -1.352 -9.020 -3.479 1.00 0.00 O ATOM 1185 CB PHE A 77 -0.909 -5.899 -2.193 1.00 0.00 C ATOM 1186 CG PHE A 77 0.105 -6.636 -1.365 1.00 0.00 C ATOM 1187 CD1 PHE A 77 -0.242 -7.798 -0.694 1.00 0.00 C ATOM 1188 CD2 PHE A 77 1.404 -6.167 -1.257 1.00 0.00 C ATOM 1189 CE1 PHE A 77 0.688 -8.478 0.069 1.00 0.00 C ATOM 1190 CE2 PHE A 77 2.338 -6.843 -0.495 1.00 0.00 C ATOM 1191 CZ PHE A 77 1.980 -8.000 0.169 1.00 0.00 C ATOM 0 H PHE A 77 -2.262 -4.820 -3.950 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.382 -6.800 -4.078 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.519 -4.910 -2.434 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.811 -5.749 -1.599 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.251 -8.176 -0.768 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.690 -5.263 -1.774 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.405 -9.383 0.587 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.347 -6.467 -0.419 1.00 0.00 H new ATOM 0 HZ PHE A 77 2.709 -8.530 0.765 1.00 0.00 H new ATOM 1201 N VAL A 78 -3.092 -7.937 -2.550 1.00 0.00 N ATOM 1202 CA VAL A 78 -3.799 -9.159 -2.183 1.00 0.00 C ATOM 1203 C VAL A 78 -4.189 -9.973 -3.414 1.00 0.00 C ATOM 1204 O VAL A 78 -4.181 -11.204 -3.382 1.00 0.00 O ATOM 1205 CB VAL A 78 -5.067 -8.850 -1.363 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -5.715 -10.136 -0.872 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -4.738 -7.932 -0.195 1.00 0.00 C ATOM 0 H VAL A 78 -3.574 -7.077 -2.289 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.111 -9.744 -1.573 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.778 -8.337 -2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.608 -9.896 -0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.990 -10.754 -1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.012 -10.680 -0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.646 -7.725 0.372 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.007 -8.416 0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.325 -6.997 -0.573 1.00 0.00 H new ATOM 1217 N GLU A 79 -4.534 -9.282 -4.495 1.00 0.00 N ATOM 1218 CA GLU A 79 -4.933 -9.945 -5.733 1.00 0.00 C ATOM 1219 C GLU A 79 -3.744 -10.617 -6.421 1.00 0.00 C ATOM 1220 O GLU A 79 -3.918 -11.365 -7.381 1.00 0.00 O ATOM 1221 CB GLU A 79 -5.581 -8.943 -6.690 1.00 0.00 C ATOM 1222 CG GLU A 79 -6.047 -9.566 -7.997 1.00 0.00 C ATOM 1223 CD GLU A 79 -7.485 -9.220 -8.329 1.00 0.00 C ATOM 1224 OE1 GLU A 79 -7.890 -8.065 -8.083 1.00 0.00 O ATOM 1225 OE2 GLU A 79 -8.207 -10.105 -8.836 1.00 0.00 O ATOM 0 H GLU A 79 -4.546 -8.263 -4.540 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.656 -10.717 -5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.433 -8.478 -6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.868 -8.149 -6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.400 -9.229 -8.807 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.943 -10.649 -7.936 1.00 0.00 H new ATOM 1232 N ALA A 80 -2.538 -10.341 -5.936 1.00 0.00 N ATOM 1233 CA ALA A 80 -1.335 -10.919 -6.522 1.00 0.00 C ATOM 1234 C ALA A 80 -0.911 -12.197 -5.800 1.00 0.00 C ATOM 1235 O ALA A 80 -0.827 -13.263 -6.408 1.00 0.00 O ATOM 1236 CB ALA A 80 -0.207 -9.899 -6.503 1.00 0.00 C ATOM 0 H ALA A 80 -2.368 -9.723 -5.142 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.561 -11.187 -7.554 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.688 -10.339 -6.943 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.500 -9.021 -7.079 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.001 -9.605 -5.474 1.00 0.00 H new ATOM 1242 N VAL A 81 -0.641 -12.084 -4.502 1.00 0.00 N ATOM 1243 CA VAL A 81 -0.220 -13.235 -3.703 1.00 0.00 C ATOM 1244 C VAL A 81 -1.172 -14.416 -3.883 1.00 0.00 C ATOM 1245 O VAL A 81 -0.771 -15.575 -3.775 1.00 0.00 O ATOM 1246 CB VAL A 81 -0.143 -12.884 -2.203 1.00 0.00 C ATOM 1247 CG1 VAL A 81 0.418 -14.053 -1.407 1.00 0.00 C ATOM 1248 CG2 VAL A 81 0.695 -11.633 -1.983 1.00 0.00 C ATOM 0 H VAL A 81 -0.706 -11.210 -3.981 1.00 0.00 H new ATOM 0 HA VAL A 81 0.772 -13.513 -4.059 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.154 -12.682 -1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.464 -13.785 -0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.228 -14.922 -1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.420 -14.290 -1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.735 -11.405 -0.918 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.705 -11.801 -2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.246 -10.796 -2.517 1.00 0.00 H new ATOM 1258 N GLU A 82 -2.434 -14.107 -4.149 1.00 0.00 N ATOM 1259 CA GLU A 82 -3.461 -15.128 -4.336 1.00 0.00 C ATOM 1260 C GLU A 82 -3.117 -16.077 -5.482 1.00 0.00 C ATOM 1261 O GLU A 82 -3.212 -17.296 -5.339 1.00 0.00 O ATOM 1262 CB GLU A 82 -4.808 -14.464 -4.611 1.00 0.00 C ATOM 1263 CG GLU A 82 -4.719 -13.295 -5.580 1.00 0.00 C ATOM 1264 CD GLU A 82 -5.625 -13.464 -6.785 1.00 0.00 C ATOM 1265 OE1 GLU A 82 -6.851 -13.606 -6.590 1.00 0.00 O ATOM 1266 OE2 GLU A 82 -5.110 -13.454 -7.922 1.00 0.00 O ATOM 0 H GLU A 82 -2.775 -13.150 -4.241 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.514 -15.714 -3.419 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.496 -15.208 -5.013 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.231 -14.114 -3.669 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.983 -12.375 -5.058 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.688 -13.186 -5.918 1.00 0.00 H new ATOM 1273 N GLN A 83 -2.723 -15.513 -6.619 1.00 0.00 N ATOM 1274 CA GLN A 83 -2.373 -16.309 -7.789 1.00 0.00 C ATOM 1275 C GLN A 83 -0.861 -16.448 -7.917 1.00 0.00 C ATOM 1276 O GLN A 83 -0.354 -16.919 -8.935 1.00 0.00 O ATOM 1277 CB GLN A 83 -2.945 -15.663 -9.052 1.00 0.00 C ATOM 1278 CG GLN A 83 -3.578 -16.657 -10.012 1.00 0.00 C ATOM 1279 CD GLN A 83 -2.551 -17.387 -10.856 1.00 0.00 C ATOM 1280 OE1 GLN A 83 -1.858 -18.284 -10.374 1.00 0.00 O ATOM 1281 NE2 GLN A 83 -2.448 -17.007 -12.124 1.00 0.00 N ATOM 0 H GLN A 83 -2.638 -14.506 -6.755 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.802 -17.304 -7.668 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.691 -14.922 -8.765 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.148 -15.128 -9.569 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -4.160 -17.384 -9.445 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.274 -16.132 -10.666 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -3.042 -16.259 -12.482 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -1.775 -17.463 -12.740 1.00 0.00 H new ATOM 1290 N ASN A 84 -0.147 -16.016 -6.885 1.00 0.00 N ATOM 1291 CA ASN A 84 1.304 -16.066 -6.878 1.00 0.00 C ATOM 1292 C ASN A 84 1.869 -14.972 -7.772 1.00 0.00 C ATOM 1293 O ASN A 84 3.021 -15.034 -8.200 1.00 0.00 O ATOM 1294 CB ASN A 84 1.810 -17.439 -7.331 1.00 0.00 C ATOM 1295 CG ASN A 84 3.110 -17.828 -6.654 1.00 0.00 C ATOM 1296 OD1 ASN A 84 3.539 -17.188 -5.694 1.00 0.00 O ATOM 1297 ND2 ASN A 84 3.744 -18.883 -7.153 1.00 0.00 N ATOM 0 H ASN A 84 -0.556 -15.624 -6.037 1.00 0.00 H new ATOM 0 HA ASN A 84 1.647 -15.902 -5.856 1.00 0.00 H new ATOM 0 HB2 ASN A 84 1.052 -18.192 -7.116 1.00 0.00 H new ATOM 0 HB3 ASN A 84 1.954 -17.432 -8.411 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.623 -19.192 -6.739 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.351 -19.384 -7.950 1.00 0.00 H new ATOM 1304 N THR A 85 1.044 -13.964 -8.042 1.00 0.00 N ATOM 1305 CA THR A 85 1.450 -12.847 -8.876 1.00 0.00 C ATOM 1306 C THR A 85 2.218 -11.814 -8.056 1.00 0.00 C ATOM 1307 O THR A 85 2.895 -10.951 -8.614 1.00 0.00 O ATOM 1308 CB THR A 85 0.229 -12.195 -9.527 1.00 0.00 C ATOM 1309 OG1 THR A 85 -0.862 -13.098 -9.564 1.00 0.00 O ATOM 1310 CG2 THR A 85 0.485 -11.728 -10.944 1.00 0.00 C ATOM 0 H THR A 85 0.088 -13.902 -7.692 1.00 0.00 H new ATOM 0 HA THR A 85 2.106 -13.228 -9.659 1.00 0.00 H new ATOM 0 HB THR A 85 0.002 -11.326 -8.909 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.634 -12.662 -9.982 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.421 -11.275 -11.347 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.290 -10.993 -10.945 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.771 -12.579 -11.562 1.00 0.00 H new ATOM 1318 N LEU A 86 2.097 -11.910 -6.728 1.00 0.00 N ATOM 1319 CA LEU A 86 2.770 -10.992 -5.806 1.00 0.00 C ATOM 1320 C LEU A 86 4.108 -10.498 -6.355 1.00 0.00 C ATOM 1321 O LEU A 86 4.465 -9.333 -6.179 1.00 0.00 O ATOM 1322 CB LEU A 86 2.989 -11.676 -4.457 1.00 0.00 C ATOM 1323 CG LEU A 86 3.709 -10.824 -3.412 1.00 0.00 C ATOM 1324 CD1 LEU A 86 2.808 -9.699 -2.923 1.00 0.00 C ATOM 1325 CD2 LEU A 86 4.171 -11.688 -2.248 1.00 0.00 C ATOM 0 H LEU A 86 1.533 -12.622 -6.265 1.00 0.00 H new ATOM 0 HA LEU A 86 2.123 -10.123 -5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.020 -11.975 -4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.563 -12.589 -4.618 1.00 0.00 H new ATOM 0 HG LEU A 86 4.587 -10.377 -3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.339 -9.104 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.530 -9.064 -3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.909 -10.122 -2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.682 -11.066 -1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.308 -12.164 -1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.855 -12.454 -2.613 1.00 0.00 H new ATOM 1337 N GLN A 87 4.844 -11.382 -7.025 1.00 0.00 N ATOM 1338 CA GLN A 87 6.136 -11.013 -7.598 1.00 0.00 C ATOM 1339 C GLN A 87 6.002 -9.762 -8.457 1.00 0.00 C ATOM 1340 O GLN A 87 6.726 -8.785 -8.267 1.00 0.00 O ATOM 1341 CB GLN A 87 6.706 -12.157 -8.438 1.00 0.00 C ATOM 1342 CG GLN A 87 7.939 -11.760 -9.236 1.00 0.00 C ATOM 1343 CD GLN A 87 8.678 -12.956 -9.804 1.00 0.00 C ATOM 1344 OE1 GLN A 87 9.233 -13.767 -9.062 1.00 0.00 O ATOM 1345 NE2 GLN A 87 8.689 -13.072 -11.126 1.00 0.00 N ATOM 0 H GLN A 87 4.571 -12.352 -7.184 1.00 0.00 H new ATOM 0 HA GLN A 87 6.821 -10.808 -6.775 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.959 -12.990 -7.782 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.937 -12.514 -9.123 1.00 0.00 H new ATOM 0 HG2 GLN A 87 7.642 -11.101 -10.052 1.00 0.00 H new ATOM 0 HG3 GLN A 87 8.614 -11.192 -8.596 1.00 0.00 H new ATOM 0 HE21 GLN A 87 8.216 -12.377 -11.703 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.171 -13.857 -11.565 1.00 0.00 H new ATOM 1354 N GLU A 88 5.059 -9.795 -9.397 1.00 0.00 N ATOM 1355 CA GLU A 88 4.815 -8.661 -10.283 1.00 0.00 C ATOM 1356 C GLU A 88 4.713 -7.361 -9.488 1.00 0.00 C ATOM 1357 O GLU A 88 4.934 -6.276 -10.023 1.00 0.00 O ATOM 1358 CB GLU A 88 3.532 -8.886 -11.088 1.00 0.00 C ATOM 1359 CG GLU A 88 3.783 -9.296 -12.530 1.00 0.00 C ATOM 1360 CD GLU A 88 3.531 -10.772 -12.769 1.00 0.00 C ATOM 1361 OE1 GLU A 88 3.673 -11.561 -11.811 1.00 0.00 O ATOM 1362 OE2 GLU A 88 3.192 -11.139 -13.914 1.00 0.00 O ATOM 0 H GLU A 88 4.451 -10.597 -9.564 1.00 0.00 H new ATOM 0 HA GLU A 88 5.657 -8.578 -10.970 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.936 -9.656 -10.598 1.00 0.00 H new ATOM 0 HB3 GLU A 88 2.941 -7.970 -11.077 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.140 -8.710 -13.187 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.813 -9.059 -12.797 1.00 0.00 H new ATOM 1369 N PHE A 89 4.371 -7.483 -8.208 1.00 0.00 N ATOM 1370 CA PHE A 89 4.237 -6.328 -7.333 1.00 0.00 C ATOM 1371 C PHE A 89 5.478 -6.150 -6.458 1.00 0.00 C ATOM 1372 O PHE A 89 5.768 -5.045 -5.998 1.00 0.00 O ATOM 1373 CB PHE A 89 3.001 -6.492 -6.449 1.00 0.00 C ATOM 1374 CG PHE A 89 2.415 -5.193 -5.980 1.00 0.00 C ATOM 1375 CD1 PHE A 89 1.524 -4.494 -6.776 1.00 0.00 C ATOM 1376 CD2 PHE A 89 2.753 -4.673 -4.741 1.00 0.00 C ATOM 1377 CE1 PHE A 89 0.980 -3.300 -6.345 1.00 0.00 C ATOM 1378 CE2 PHE A 89 2.213 -3.479 -4.305 1.00 0.00 C ATOM 1379 CZ PHE A 89 1.325 -2.792 -5.109 1.00 0.00 C ATOM 0 H PHE A 89 4.181 -8.377 -7.754 1.00 0.00 H new ATOM 0 HA PHE A 89 4.129 -5.440 -7.955 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.241 -7.044 -7.002 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.265 -7.096 -5.580 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.251 -4.887 -7.744 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.447 -5.208 -4.109 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.285 -2.764 -6.975 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.485 -3.083 -3.337 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.901 -1.858 -4.771 1.00 0.00 H new ATOM 1389 N LEU A 90 6.198 -7.244 -6.218 1.00 0.00 N ATOM 1390 CA LEU A 90 7.395 -7.204 -5.381 1.00 0.00 C ATOM 1391 C LEU A 90 8.677 -7.169 -6.213 1.00 0.00 C ATOM 1392 O LEU A 90 9.438 -6.203 -6.147 1.00 0.00 O ATOM 1393 CB LEU A 90 7.416 -8.408 -4.437 1.00 0.00 C ATOM 1394 CG LEU A 90 6.871 -8.138 -3.032 1.00 0.00 C ATOM 1395 CD1 LEU A 90 7.825 -7.247 -2.252 1.00 0.00 C ATOM 1396 CD2 LEU A 90 5.490 -7.505 -3.108 1.00 0.00 C ATOM 0 H LEU A 90 5.974 -8.167 -6.590 1.00 0.00 H new ATOM 0 HA LEU A 90 7.356 -6.283 -4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.836 -9.214 -4.887 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.442 -8.765 -4.350 1.00 0.00 H new ATOM 0 HG LEU A 90 6.784 -9.090 -2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.421 -7.066 -1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.794 -7.738 -2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.944 -6.297 -2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.118 -7.320 -2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.552 -6.562 -3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.809 -8.179 -3.628 1.00 0.00 H new ATOM 1408 N LYS A 91 8.922 -8.229 -6.981 1.00 0.00 N ATOM 1409 CA LYS A 91 10.128 -8.310 -7.808 1.00 0.00 C ATOM 1410 C LYS A 91 9.853 -7.888 -9.252 1.00 0.00 C ATOM 1411 O LYS A 91 10.775 -7.791 -10.062 1.00 0.00 O ATOM 1412 CB LYS A 91 10.708 -9.729 -7.788 1.00 0.00 C ATOM 1413 CG LYS A 91 10.460 -10.482 -6.489 1.00 0.00 C ATOM 1414 CD LYS A 91 10.803 -11.958 -6.628 1.00 0.00 C ATOM 1415 CE LYS A 91 12.143 -12.284 -5.988 1.00 0.00 C ATOM 1416 NZ LYS A 91 11.986 -13.124 -4.768 1.00 0.00 N ATOM 0 H LYS A 91 8.307 -9.040 -7.049 1.00 0.00 H new ATOM 0 HA LYS A 91 10.855 -7.619 -7.382 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.278 -10.297 -8.613 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.782 -9.674 -7.964 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.058 -10.042 -5.692 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.415 -10.376 -6.199 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.021 -12.559 -6.163 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.828 -12.228 -7.684 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.773 -12.805 -6.709 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.656 -11.358 -5.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.922 -13.324 -4.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.406 -12.616 -4.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.520 -14.019 -5.020 1.00 0.00 H new ATOM 1430 N LEU A 92 8.586 -7.636 -9.570 1.00 0.00 N ATOM 1431 CA LEU A 92 8.195 -7.221 -10.916 1.00 0.00 C ATOM 1432 C LEU A 92 8.800 -8.136 -11.979 1.00 0.00 C ATOM 1433 O LEU A 92 9.014 -7.721 -13.117 1.00 0.00 O ATOM 1434 CB LEU A 92 8.624 -5.772 -11.180 1.00 0.00 C ATOM 1435 CG LEU A 92 8.496 -4.811 -9.992 1.00 0.00 C ATOM 1436 CD1 LEU A 92 7.169 -5.003 -9.272 1.00 0.00 C ATOM 1437 CD2 LEU A 92 9.656 -4.998 -9.029 1.00 0.00 C ATOM 0 H LEU A 92 7.810 -7.712 -8.912 1.00 0.00 H new ATOM 0 HA LEU A 92 7.109 -7.292 -10.977 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.663 -5.775 -11.510 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.028 -5.381 -12.005 1.00 0.00 H new ATOM 0 HG LEU A 92 8.525 -3.792 -10.378 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.106 -4.309 -8.434 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.349 -4.812 -9.964 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.101 -6.026 -8.901 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.549 -4.308 -8.192 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.658 -6.022 -8.657 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.594 -4.798 -9.546 1.00 0.00 H new ATOM 1449 N ALA A 93 9.075 -9.382 -11.601 1.00 0.00 N ATOM 1450 CA ALA A 93 9.656 -10.351 -12.526 1.00 0.00 C ATOM 1451 C ALA A 93 10.878 -9.775 -13.236 1.00 0.00 C ATOM 1452 O ALA A 93 11.190 -10.157 -14.364 1.00 0.00 O ATOM 1453 CB ALA A 93 8.615 -10.798 -13.542 1.00 0.00 C ATOM 0 H ALA A 93 8.905 -9.744 -10.663 1.00 0.00 H new ATOM 0 HA ALA A 93 9.982 -11.216 -11.948 1.00 0.00 H new ATOM 0 HB1 ALA A 93 9.061 -11.520 -14.226 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.775 -11.260 -13.023 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.262 -9.934 -14.106 1.00 0.00 H new ATOM 1459 N LEU A 94 11.565 -8.853 -12.569 1.00 0.00 N ATOM 1460 CA LEU A 94 12.751 -8.222 -13.136 1.00 0.00 C ATOM 1461 C LEU A 94 13.950 -9.164 -13.077 1.00 0.00 C ATOM 1462 O LEU A 94 14.775 -9.077 -12.168 1.00 0.00 O ATOM 1463 CB LEU A 94 13.069 -6.923 -12.391 1.00 0.00 C ATOM 1464 CG LEU A 94 12.477 -5.658 -13.015 1.00 0.00 C ATOM 1465 CD1 LEU A 94 12.290 -4.580 -11.959 1.00 0.00 C ATOM 1466 CD2 LEU A 94 13.367 -5.155 -14.142 1.00 0.00 C ATOM 0 H LEU A 94 11.320 -8.526 -11.634 1.00 0.00 H new ATOM 0 HA LEU A 94 12.545 -7.992 -14.181 1.00 0.00 H new ATOM 0 HB2 LEU A 94 12.704 -7.010 -11.368 1.00 0.00 H new ATOM 0 HB3 LEU A 94 14.152 -6.810 -12.335 1.00 0.00 H new ATOM 0 HG LEU A 94 11.500 -5.903 -13.431 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.868 -3.687 -12.421 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.614 -4.942 -11.185 1.00 0.00 H new ATOM 0 HD13 LEU A 94 13.254 -4.336 -11.513 1.00 0.00 H new ATOM 0 HD21 LEU A 94 12.932 -4.255 -14.575 1.00 0.00 H new ATOM 0 HD22 LEU A 94 14.358 -4.926 -13.749 1.00 0.00 H new ATOM 0 HD23 LEU A 94 13.450 -5.924 -14.910 1.00 0.00 H new ATOM 1478 N GLU A 95 14.039 -10.061 -14.053 1.00 0.00 N ATOM 1479 CA GLU A 95 15.138 -11.018 -14.113 1.00 0.00 C ATOM 1480 C GLU A 95 16.432 -10.334 -14.541 1.00 0.00 C ATOM 1481 O GLU A 95 16.398 -9.111 -14.796 1.00 0.00 O ATOM 1482 CB GLU A 95 14.802 -12.152 -15.083 1.00 0.00 C ATOM 1483 CG GLU A 95 14.123 -13.339 -14.419 1.00 0.00 C ATOM 1484 CD GLU A 95 13.604 -14.350 -15.423 1.00 0.00 C ATOM 1485 OE1 GLU A 95 14.349 -14.684 -16.368 1.00 0.00 O ATOM 1486 OE2 GLU A 95 12.454 -14.809 -15.263 1.00 0.00 O ATOM 0 H GLU A 95 13.364 -10.145 -14.813 1.00 0.00 H new ATOM 0 HA GLU A 95 15.280 -11.433 -13.115 1.00 0.00 H new ATOM 0 HB2 GLU A 95 14.153 -11.766 -15.869 1.00 0.00 H new ATOM 0 HB3 GLU A 95 15.719 -12.491 -15.564 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.829 -13.828 -13.748 1.00 0.00 H new ATOM 0 HG3 GLU A 95 13.295 -12.983 -13.806 1.00 0.00 H new TER 1493 GLU A 95