USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 756 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -135:sc= -0.0209 (180deg=-0.304) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= -0.103 USER MOD Single : A 8 MET CE :methyl 172:sc= 0 (180deg=-0.135) USER MOD Single : A 12 THR OG1 : rot -91:sc= 0.51 USER MOD Single : A 16 HIS : no HD1:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.422 USER MOD Single : A 23 LYS NZ :NH3+ 165:sc= -0.0498 (180deg=-0.287) USER MOD Single : A 26 LYS NZ :NH3+ 155:sc= -1.97 (180deg=-3.3!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 34 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.099) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -77:sc= 1.22 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.073 USER MOD Single : A 51 HIS : no HD1:sc= -0.179 X(o=-0.18,f=0.034) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.0415 F(o=-1.3!,f=-0.041) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -140:sc= -0.464 USER MOD Single : A 63 THR OG1 : rot 91:sc= 1.26 USER MOD Single : A 64 LYS NZ :NH3+ 163:sc= -0.0602 (180deg=-0.456) USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 70 GLN : amide:sc= -1.93 K(o=-1.9,f=-3.7) USER MOD Single : A 71 LYS NZ :NH3+ 165:sc= -0.068 (180deg=-0.316) USER MOD Single : A 73 ASN :FLIP amide:sc= -0.58 F(o=-1.3,f=-0.58) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 139:sc= -0.148 (180deg=-2.37!) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 ASN : amide:sc= -0.6 K(o=-0.6,f=-1.9!) USER MOD Single : A 84 LYS NZ :NH3+ 169:sc= -0.0154 (180deg=-0.198) USER MOD Single : A 85 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0271) USER MOD Single : A 86 LYS NZ :NH3+ 170:sc= -0.0133 (180deg=-0.125) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.370 -1.906 14.278 1.00 0.00 N ATOM 2 CA MET A 1 -7.904 -0.503 14.135 1.00 0.00 C ATOM 3 C MET A 1 -7.650 -0.159 12.672 1.00 0.00 C ATOM 4 O MET A 1 -7.452 -1.046 11.840 1.00 0.00 O ATOM 5 CB MET A 1 -6.623 -0.288 14.943 1.00 0.00 C ATOM 6 CG MET A 1 -6.781 -0.572 16.428 1.00 0.00 C ATOM 7 SD MET A 1 -5.246 -0.333 17.345 1.00 0.00 S ATOM 8 CE MET A 1 -5.778 -0.726 19.010 1.00 0.00 C ATOM 0 H1 MET A 1 -9.176 -1.939 14.934 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.664 -2.270 13.349 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.596 -2.492 14.651 1.00 0.00 H new ATOM 0 HA MET A 1 -8.687 0.153 14.515 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.839 -0.929 14.541 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.290 0.742 14.813 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.551 0.080 16.839 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.126 -1.597 16.564 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.936 -0.623 19.695 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.574 -0.043 19.308 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.148 -1.751 19.041 1.00 0.00 H new ATOM 20 N GLU A 2 -7.656 1.134 12.365 1.00 0.00 N ATOM 21 CA GLU A 2 -7.424 1.599 11.002 1.00 0.00 C ATOM 22 C GLU A 2 -5.995 1.297 10.561 1.00 0.00 C ATOM 23 O GLU A 2 -5.733 1.085 9.377 1.00 0.00 O ATOM 24 CB GLU A 2 -7.698 3.101 10.900 1.00 0.00 C ATOM 25 CG GLU A 2 -6.872 3.938 11.863 1.00 0.00 C ATOM 26 CD GLU A 2 -7.189 5.418 11.769 1.00 0.00 C ATOM 27 OE1 GLU A 2 -8.152 5.862 12.429 1.00 0.00 O ATOM 28 OE2 GLU A 2 -6.474 6.133 11.036 1.00 0.00 O ATOM 0 H GLU A 2 -7.819 1.879 13.042 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.108 1.068 10.340 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.496 3.430 9.881 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.756 3.282 11.090 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.052 3.596 12.882 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.813 3.783 11.657 1.00 0.00 H new ATOM 35 N SER A 3 -5.075 1.278 11.522 1.00 0.00 N ATOM 36 CA SER A 3 -3.672 1.000 11.231 1.00 0.00 C ATOM 37 C SER A 3 -3.503 -0.400 10.651 1.00 0.00 C ATOM 38 O SER A 3 -2.592 -0.649 9.862 1.00 0.00 O ATOM 39 CB SER A 3 -2.827 1.144 12.498 1.00 0.00 C ATOM 40 OG SER A 3 -3.257 0.243 13.503 1.00 0.00 O ATOM 0 H SER A 3 -5.276 1.451 12.507 1.00 0.00 H new ATOM 0 HA SER A 3 -3.331 1.724 10.491 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.779 0.958 12.263 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.894 2.167 12.869 1.00 0.00 H new ATOM 0 HG SER A 3 -2.700 0.354 14.302 1.00 0.00 H new ATOM 46 N GLU A 4 -4.386 -1.312 11.047 1.00 0.00 N ATOM 47 CA GLU A 4 -4.335 -2.688 10.566 1.00 0.00 C ATOM 48 C GLU A 4 -4.851 -2.785 9.134 1.00 0.00 C ATOM 49 O GLU A 4 -4.385 -3.612 8.350 1.00 0.00 O ATOM 50 CB GLU A 4 -5.159 -3.600 11.479 1.00 0.00 C ATOM 51 CG GLU A 4 -5.123 -5.064 11.068 1.00 0.00 C ATOM 52 CD GLU A 4 -5.999 -5.937 11.945 1.00 0.00 C ATOM 53 OE1 GLU A 4 -5.525 -6.365 13.019 1.00 0.00 O ATOM 54 OE2 GLU A 4 -7.160 -6.192 11.559 1.00 0.00 O ATOM 0 H GLU A 4 -5.146 -1.122 11.700 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.294 -3.012 10.581 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.789 -3.508 12.500 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.194 -3.257 11.483 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.448 -5.155 10.031 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.096 -5.425 11.113 1.00 0.00 H new ATOM 61 N TYR A 5 -5.817 -1.935 8.799 1.00 0.00 N ATOM 62 CA TYR A 5 -6.400 -1.928 7.462 1.00 0.00 C ATOM 63 C TYR A 5 -5.383 -1.474 6.417 1.00 0.00 C ATOM 64 O TYR A 5 -5.342 -2.008 5.308 1.00 0.00 O ATOM 65 CB TYR A 5 -7.632 -1.019 7.425 1.00 0.00 C ATOM 66 CG TYR A 5 -8.182 -0.791 6.034 1.00 0.00 C ATOM 67 CD1 TYR A 5 -8.664 -1.849 5.272 1.00 0.00 C ATOM 68 CD2 TYR A 5 -8.217 0.483 5.481 1.00 0.00 C ATOM 69 CE1 TYR A 5 -9.163 -1.643 4.001 1.00 0.00 C ATOM 70 CE2 TYR A 5 -8.716 0.697 4.211 1.00 0.00 C ATOM 71 CZ TYR A 5 -9.188 -0.369 3.476 1.00 0.00 C ATOM 72 OH TYR A 5 -9.685 -0.160 2.210 1.00 0.00 O ATOM 0 H TYR A 5 -6.212 -1.242 9.435 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.701 -2.948 7.222 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -8.413 -1.456 8.047 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.375 -0.056 7.866 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -8.648 -2.849 5.681 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.848 1.321 6.054 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -9.532 -2.476 3.421 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -8.736 1.694 3.796 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.632 0.794 1.991 1.00 0.00 H new ATOM 82 N ARG A 6 -4.565 -0.490 6.776 1.00 0.00 N ATOM 83 CA ARG A 6 -3.556 0.032 5.860 1.00 0.00 C ATOM 84 C ARG A 6 -2.315 -0.857 5.836 1.00 0.00 C ATOM 85 O ARG A 6 -1.795 -1.181 4.771 1.00 0.00 O ATOM 86 CB ARG A 6 -3.168 1.460 6.255 1.00 0.00 C ATOM 87 CG ARG A 6 -2.620 1.580 7.667 1.00 0.00 C ATOM 88 CD ARG A 6 -2.295 3.023 8.016 1.00 0.00 C ATOM 89 NE ARG A 6 -1.685 3.143 9.339 1.00 0.00 N ATOM 90 CZ ARG A 6 -1.446 4.305 9.939 1.00 0.00 C ATOM 91 NH1 ARG A 6 -1.776 5.445 9.345 1.00 0.00 N ATOM 92 NH2 ARG A 6 -0.880 4.328 11.138 1.00 0.00 N ATOM 0 H ARG A 6 -4.580 -0.039 7.691 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.987 0.041 4.859 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.421 1.831 5.553 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.043 2.104 6.159 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.349 1.188 8.376 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.722 0.970 7.763 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.619 3.434 7.266 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.207 3.618 7.982 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.428 2.286 9.830 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.215 5.432 8.424 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -1.591 6.334 9.809 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.628 3.454 11.600 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.697 5.220 11.598 1.00 0.00 H new ATOM 106 N GLU A 7 -1.855 -1.252 7.016 1.00 0.00 N ATOM 107 CA GLU A 7 -0.670 -2.095 7.139 1.00 0.00 C ATOM 108 C GLU A 7 -0.832 -3.406 6.376 1.00 0.00 C ATOM 109 O GLU A 7 0.043 -3.800 5.608 1.00 0.00 O ATOM 110 CB GLU A 7 -0.390 -2.389 8.613 1.00 0.00 C ATOM 111 CG GLU A 7 0.895 -3.165 8.848 1.00 0.00 C ATOM 112 CD GLU A 7 1.196 -3.360 10.321 1.00 0.00 C ATOM 113 OE1 GLU A 7 0.703 -4.350 10.903 1.00 0.00 O ATOM 114 OE2 GLU A 7 1.923 -2.522 10.895 1.00 0.00 O ATOM 0 H GLU A 7 -2.286 -1.001 7.906 1.00 0.00 H new ATOM 0 HA GLU A 7 0.170 -1.553 6.705 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.340 -1.447 9.159 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.226 -2.953 9.027 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.821 -4.139 8.364 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.725 -2.638 8.378 1.00 0.00 H new ATOM 121 N MET A 8 -1.959 -4.073 6.594 1.00 0.00 N ATOM 122 CA MET A 8 -2.234 -5.351 5.945 1.00 0.00 C ATOM 123 C MET A 8 -2.401 -5.198 4.433 1.00 0.00 C ATOM 124 O MET A 8 -1.784 -5.929 3.659 1.00 0.00 O ATOM 125 CB MET A 8 -3.492 -5.980 6.550 1.00 0.00 C ATOM 126 CG MET A 8 -3.905 -7.287 5.892 1.00 0.00 C ATOM 127 SD MET A 8 -2.609 -8.537 5.950 1.00 0.00 S ATOM 128 CE MET A 8 -3.434 -9.914 5.157 1.00 0.00 C ATOM 0 H MET A 8 -2.699 -3.750 7.217 1.00 0.00 H new ATOM 0 HA MET A 8 -1.377 -6.003 6.117 1.00 0.00 H new ATOM 0 HB2 MET A 8 -3.323 -6.157 7.612 1.00 0.00 H new ATOM 0 HB3 MET A 8 -4.315 -5.270 6.472 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.797 -7.672 6.387 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.174 -7.097 4.853 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.718 -10.719 4.988 1.00 0.00 H new ATOM 0 HE2 MET A 8 -4.240 -10.273 5.797 1.00 0.00 H new ATOM 0 HE3 MET A 8 -3.847 -9.590 4.202 1.00 0.00 H new ATOM 138 N LEU A 9 -3.228 -4.245 4.017 1.00 0.00 N ATOM 139 CA LEU A 9 -3.480 -4.023 2.593 1.00 0.00 C ATOM 140 C LEU A 9 -2.198 -3.671 1.841 1.00 0.00 C ATOM 141 O LEU A 9 -2.056 -3.987 0.660 1.00 0.00 O ATOM 142 CB LEU A 9 -4.524 -2.924 2.385 1.00 0.00 C ATOM 143 CG LEU A 9 -5.073 -2.833 0.957 1.00 0.00 C ATOM 144 CD1 LEU A 9 -5.821 -4.105 0.588 1.00 0.00 C ATOM 145 CD2 LEU A 9 -5.979 -1.623 0.803 1.00 0.00 C ATOM 0 H LEU A 9 -3.734 -3.615 4.640 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.866 -4.958 2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.354 -3.095 3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.082 -1.964 2.653 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.229 -2.718 0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.203 -4.020 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.144 -4.957 0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.653 -4.251 1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.357 -1.579 -0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.816 -1.705 1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.415 -0.716 1.021 1.00 0.00 H new ATOM 157 N LEU A 10 -1.274 -3.005 2.524 1.00 0.00 N ATOM 158 CA LEU A 10 -0.012 -2.600 1.909 1.00 0.00 C ATOM 159 C LEU A 10 0.982 -3.757 1.827 1.00 0.00 C ATOM 160 O LEU A 10 1.408 -4.139 0.737 1.00 0.00 O ATOM 161 CB LEU A 10 0.606 -1.444 2.694 1.00 0.00 C ATOM 162 CG LEU A 10 -0.135 -0.114 2.570 1.00 0.00 C ATOM 163 CD1 LEU A 10 0.333 0.852 3.645 1.00 0.00 C ATOM 164 CD2 LEU A 10 0.072 0.484 1.187 1.00 0.00 C ATOM 0 H LEU A 10 -1.373 -2.734 3.502 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.233 -2.279 0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.650 -1.722 3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.633 -1.304 2.358 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.201 -0.296 2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.203 1.796 3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.136 0.425 4.628 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.403 1.029 3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.463 1.431 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.136 0.655 1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.308 -0.204 0.432 1.00 0.00 H new ATOM 176 N LEU A 11 1.348 -4.312 2.980 1.00 0.00 N ATOM 177 CA LEU A 11 2.314 -5.408 3.035 1.00 0.00 C ATOM 178 C LEU A 11 1.909 -6.577 2.139 1.00 0.00 C ATOM 179 O LEU A 11 2.763 -7.339 1.685 1.00 0.00 O ATOM 180 CB LEU A 11 2.507 -5.883 4.481 1.00 0.00 C ATOM 181 CG LEU A 11 1.300 -6.568 5.131 1.00 0.00 C ATOM 182 CD1 LEU A 11 1.243 -8.043 4.761 1.00 0.00 C ATOM 183 CD2 LEU A 11 1.357 -6.406 6.642 1.00 0.00 C ATOM 0 H LEU A 11 0.990 -4.021 3.890 1.00 0.00 H new ATOM 0 HA LEU A 11 3.261 -5.023 2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.349 -6.575 4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.783 -5.023 5.091 1.00 0.00 H new ATOM 0 HG LEU A 11 0.395 -6.090 4.756 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.377 -8.504 5.236 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.160 -8.144 3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.151 -8.539 5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.495 -6.897 7.093 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.272 -6.859 7.022 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.345 -5.346 6.895 1.00 0.00 H new ATOM 195 N THR A 12 0.612 -6.720 1.887 1.00 0.00 N ATOM 196 CA THR A 12 0.118 -7.804 1.040 1.00 0.00 C ATOM 197 C THR A 12 0.609 -7.651 -0.395 1.00 0.00 C ATOM 198 O THR A 12 0.342 -8.499 -1.247 1.00 0.00 O ATOM 199 CB THR A 12 -1.420 -7.875 1.043 1.00 0.00 C ATOM 200 OG1 THR A 12 -1.974 -6.556 1.001 1.00 0.00 O ATOM 201 CG2 THR A 12 -1.925 -8.610 2.275 1.00 0.00 C ATOM 0 H THR A 12 -0.114 -6.104 2.254 1.00 0.00 H new ATOM 0 HA THR A 12 0.512 -8.730 1.459 1.00 0.00 H new ATOM 0 HB THR A 12 -1.738 -8.426 0.158 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.114 -6.231 1.915 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.014 -8.648 2.255 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.527 -9.625 2.282 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.596 -8.085 3.172 1.00 0.00 H new ATOM 209 N GLY A 13 1.325 -6.563 -0.655 1.00 0.00 N ATOM 210 CA GLY A 13 1.851 -6.318 -1.983 1.00 0.00 C ATOM 211 C GLY A 13 3.360 -6.153 -1.982 1.00 0.00 C ATOM 212 O GLY A 13 4.044 -6.658 -2.872 1.00 0.00 O ATOM 0 H GLY A 13 1.551 -5.845 0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.578 -7.145 -2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.390 -5.420 -2.395 1.00 0.00 H new ATOM 216 N LEU A 14 3.881 -5.447 -0.980 1.00 0.00 N ATOM 217 CA LEU A 14 5.321 -5.224 -0.868 1.00 0.00 C ATOM 218 C LEU A 14 6.065 -6.551 -0.754 1.00 0.00 C ATOM 219 O LEU A 14 7.051 -6.786 -1.452 1.00 0.00 O ATOM 220 CB LEU A 14 5.650 -4.351 0.351 1.00 0.00 C ATOM 221 CG LEU A 14 5.367 -2.850 0.205 1.00 0.00 C ATOM 222 CD1 LEU A 14 6.022 -2.291 -1.050 1.00 0.00 C ATOM 223 CD2 LEU A 14 3.871 -2.586 0.188 1.00 0.00 C ATOM 0 H LEU A 14 3.329 -5.021 -0.236 1.00 0.00 H new ATOM 0 HA LEU A 14 5.644 -4.707 -1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.083 -4.725 1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.706 -4.479 0.589 1.00 0.00 H new ATOM 0 HG LEU A 14 5.798 -2.341 1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.806 -1.226 -1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.100 -2.439 -0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.629 -2.807 -1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.692 -1.516 0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.418 -3.113 -0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.429 -2.939 1.120 1.00 0.00 H new ATOM 235 N ASP A 15 5.583 -7.413 0.135 1.00 0.00 N ATOM 236 CA ASP A 15 6.198 -8.717 0.352 1.00 0.00 C ATOM 237 C ASP A 15 5.749 -9.719 -0.710 1.00 0.00 C ATOM 238 O ASP A 15 6.024 -10.914 -0.607 1.00 0.00 O ATOM 239 CB ASP A 15 5.842 -9.235 1.751 1.00 0.00 C ATOM 240 CG ASP A 15 6.612 -10.486 2.125 1.00 0.00 C ATOM 241 OD1 ASP A 15 7.777 -10.360 2.558 1.00 0.00 O ATOM 242 OD2 ASP A 15 6.050 -11.594 1.989 1.00 0.00 O ATOM 0 H ASP A 15 4.766 -7.231 0.718 1.00 0.00 H new ATOM 0 HA ASP A 15 7.279 -8.604 0.274 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.045 -8.455 2.485 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.773 -9.444 1.795 1.00 0.00 H new ATOM 247 N HIS A 16 5.062 -9.223 -1.737 1.00 0.00 N ATOM 248 CA HIS A 16 4.572 -10.080 -2.814 1.00 0.00 C ATOM 249 C HIS A 16 5.083 -9.611 -4.174 1.00 0.00 C ATOM 250 O HIS A 16 4.543 -9.994 -5.213 1.00 0.00 O ATOM 251 CB HIS A 16 3.042 -10.102 -2.814 1.00 0.00 C ATOM 252 CG HIS A 16 2.448 -10.793 -1.626 1.00 0.00 C ATOM 253 ND1 HIS A 16 1.658 -11.919 -1.709 1.00 0.00 N ATOM 254 CD2 HIS A 16 2.537 -10.496 -0.304 1.00 0.00 C ATOM 255 CE1 HIS A 16 1.298 -12.261 -0.465 1.00 0.00 C ATOM 256 NE2 HIS A 16 1.806 -11.430 0.425 1.00 0.00 N ATOM 0 H HIS A 16 4.833 -8.235 -1.846 1.00 0.00 H new ATOM 0 HA HIS A 16 4.950 -11.087 -2.638 1.00 0.00 H new ATOM 0 HB2 HIS A 16 2.673 -9.077 -2.848 1.00 0.00 H new ATOM 0 HB3 HIS A 16 2.695 -10.596 -3.721 1.00 0.00 H new ATOM 0 HD2 HIS A 16 3.087 -9.667 0.115 1.00 0.00 H new ATOM 0 HE1 HIS A 16 0.673 -13.107 -0.222 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.688 -11.465 1.438 1.00 0.00 H new ATOM 264 N ILE A 17 6.128 -8.791 -4.166 1.00 0.00 N ATOM 265 CA ILE A 17 6.702 -8.277 -5.405 1.00 0.00 C ATOM 266 C ILE A 17 8.217 -8.447 -5.428 1.00 0.00 C ATOM 267 O ILE A 17 8.866 -8.459 -4.382 1.00 0.00 O ATOM 268 CB ILE A 17 6.356 -6.790 -5.610 1.00 0.00 C ATOM 269 CG1 ILE A 17 6.785 -5.968 -4.391 1.00 0.00 C ATOM 270 CG2 ILE A 17 4.866 -6.629 -5.874 1.00 0.00 C ATOM 271 CD1 ILE A 17 6.488 -4.488 -4.516 1.00 0.00 C ATOM 0 H ILE A 17 6.594 -8.468 -3.318 1.00 0.00 H new ATOM 0 HA ILE A 17 6.267 -8.858 -6.218 1.00 0.00 H new ATOM 0 HB ILE A 17 6.901 -6.419 -6.478 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.280 -6.357 -3.507 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.855 -6.102 -4.232 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.634 -5.574 -6.017 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.593 -7.186 -6.771 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.302 -7.012 -5.023 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.820 -3.973 -3.615 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.014 -4.083 -5.380 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.415 -4.342 -4.643 1.00 0.00 H new ATOM 283 N THR A 18 8.773 -8.580 -6.629 1.00 0.00 N ATOM 284 CA THR A 18 10.212 -8.750 -6.794 1.00 0.00 C ATOM 285 C THR A 18 10.972 -7.520 -6.313 1.00 0.00 C ATOM 286 O THR A 18 10.371 -6.497 -5.982 1.00 0.00 O ATOM 287 CB THR A 18 10.579 -9.024 -8.263 1.00 0.00 C ATOM 288 OG1 THR A 18 10.147 -7.935 -9.088 1.00 0.00 O ATOM 289 CG2 THR A 18 9.940 -10.318 -8.748 1.00 0.00 C ATOM 0 H THR A 18 8.247 -8.573 -7.503 1.00 0.00 H new ATOM 0 HA THR A 18 10.499 -9.609 -6.188 1.00 0.00 H new ATOM 0 HB THR A 18 11.662 -9.124 -8.331 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.386 -8.117 -10.021 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.213 -10.491 -9.789 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.293 -11.149 -8.137 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.856 -10.242 -8.666 1.00 0.00 H new ATOM 297 N GLU A 19 12.297 -7.625 -6.283 1.00 0.00 N ATOM 298 CA GLU A 19 13.145 -6.525 -5.838 1.00 0.00 C ATOM 299 C GLU A 19 13.100 -5.359 -6.823 1.00 0.00 C ATOM 300 O GLU A 19 13.009 -4.200 -6.420 1.00 0.00 O ATOM 301 CB GLU A 19 14.587 -7.007 -5.669 1.00 0.00 C ATOM 302 CG GLU A 19 14.731 -8.159 -4.687 1.00 0.00 C ATOM 303 CD GLU A 19 16.167 -8.627 -4.544 1.00 0.00 C ATOM 304 OE1 GLU A 19 16.583 -9.511 -5.322 1.00 0.00 O ATOM 305 OE2 GLU A 19 16.874 -8.109 -3.654 1.00 0.00 O ATOM 0 H GLU A 19 12.807 -8.463 -6.562 1.00 0.00 H new ATOM 0 HA GLU A 19 12.766 -6.175 -4.878 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.974 -7.317 -6.640 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.203 -6.173 -5.332 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.355 -7.850 -3.712 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.112 -8.993 -5.018 1.00 0.00 H new ATOM 312 N GLU A 20 13.163 -5.676 -8.113 1.00 0.00 N ATOM 313 CA GLU A 20 13.137 -4.654 -9.156 1.00 0.00 C ATOM 314 C GLU A 20 11.819 -3.882 -9.144 1.00 0.00 C ATOM 315 O GLU A 20 11.811 -2.653 -9.208 1.00 0.00 O ATOM 316 CB GLU A 20 13.363 -5.290 -10.530 1.00 0.00 C ATOM 317 CG GLU A 20 12.403 -6.424 -10.847 1.00 0.00 C ATOM 318 CD GLU A 20 12.711 -7.095 -12.172 1.00 0.00 C ATOM 319 OE1 GLU A 20 12.219 -6.611 -13.213 1.00 0.00 O ATOM 320 OE2 GLU A 20 13.445 -8.105 -12.168 1.00 0.00 O ATOM 0 H GLU A 20 13.232 -6.632 -8.462 1.00 0.00 H new ATOM 0 HA GLU A 20 13.943 -3.949 -8.953 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.267 -4.521 -11.296 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.385 -5.666 -10.582 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.446 -7.166 -10.049 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.384 -6.038 -10.868 1.00 0.00 H new ATOM 327 N GLU A 21 10.709 -4.608 -9.061 1.00 0.00 N ATOM 328 CA GLU A 21 9.391 -3.984 -9.041 1.00 0.00 C ATOM 329 C GLU A 21 9.161 -3.247 -7.726 1.00 0.00 C ATOM 330 O GLU A 21 8.419 -2.266 -7.671 1.00 0.00 O ATOM 331 CB GLU A 21 8.301 -5.037 -9.251 1.00 0.00 C ATOM 332 CG GLU A 21 8.421 -5.780 -10.571 1.00 0.00 C ATOM 333 CD GLU A 21 8.314 -4.859 -11.771 1.00 0.00 C ATOM 334 OE1 GLU A 21 9.361 -4.349 -12.224 1.00 0.00 O ATOM 335 OE2 GLU A 21 7.183 -4.646 -12.258 1.00 0.00 O ATOM 0 H GLU A 21 10.696 -5.626 -9.007 1.00 0.00 H new ATOM 0 HA GLU A 21 9.345 -3.260 -9.855 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.340 -5.757 -8.433 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.326 -4.553 -9.203 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.377 -6.303 -10.603 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.640 -6.538 -10.629 1.00 0.00 H new ATOM 342 N LEU A 22 9.806 -3.730 -6.669 1.00 0.00 N ATOM 343 CA LEU A 22 9.684 -3.125 -5.347 1.00 0.00 C ATOM 344 C LEU A 22 10.119 -1.663 -5.372 1.00 0.00 C ATOM 345 O LEU A 22 9.532 -0.818 -4.696 1.00 0.00 O ATOM 346 CB LEU A 22 10.521 -3.909 -4.332 1.00 0.00 C ATOM 347 CG LEU A 22 10.479 -3.381 -2.896 1.00 0.00 C ATOM 348 CD1 LEU A 22 9.061 -3.433 -2.346 1.00 0.00 C ATOM 349 CD2 LEU A 22 11.423 -4.180 -2.012 1.00 0.00 C ATOM 0 H LEU A 22 10.421 -4.543 -6.703 1.00 0.00 H new ATOM 0 HA LEU A 22 8.636 -3.161 -5.050 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.181 -4.945 -4.330 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.558 -3.914 -4.669 1.00 0.00 H new ATOM 0 HG LEU A 22 10.805 -2.341 -2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.053 -3.053 -1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.407 -2.820 -2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.706 -4.463 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.383 -3.793 -0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.124 -5.228 -2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.440 -4.092 -2.393 1.00 0.00 H new ATOM 361 N LYS A 23 11.150 -1.369 -6.159 1.00 0.00 N ATOM 362 CA LYS A 23 11.665 -0.009 -6.269 1.00 0.00 C ATOM 363 C LYS A 23 10.782 0.846 -7.175 1.00 0.00 C ATOM 364 O LYS A 23 10.630 2.046 -6.950 1.00 0.00 O ATOM 365 CB LYS A 23 13.097 -0.023 -6.805 1.00 0.00 C ATOM 366 CG LYS A 23 14.056 -0.855 -5.968 1.00 0.00 C ATOM 367 CD LYS A 23 15.461 -0.834 -6.546 1.00 0.00 C ATOM 368 CE LYS A 23 16.409 -1.707 -5.738 1.00 0.00 C ATOM 369 NZ LYS A 23 15.985 -3.134 -5.733 1.00 0.00 N ATOM 0 H LYS A 23 11.645 -2.055 -6.730 1.00 0.00 H new ATOM 0 HA LYS A 23 11.659 0.430 -5.271 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.090 -0.409 -7.824 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.467 1.001 -6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.075 -0.473 -4.947 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.698 -1.883 -5.917 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.436 -1.181 -7.579 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.833 0.190 -6.563 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.415 -1.629 -6.151 1.00 0.00 H new ATOM 0 HE3 LYS A 23 16.456 -1.339 -4.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 16.770 -3.728 -5.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 15.168 -3.251 -5.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 15.720 -3.421 -6.697 1.00 0.00 H new ATOM 383 N ARG A 24 10.201 0.222 -8.196 1.00 0.00 N ATOM 384 CA ARG A 24 9.343 0.933 -9.140 1.00 0.00 C ATOM 385 C ARG A 24 8.100 1.493 -8.455 1.00 0.00 C ATOM 386 O ARG A 24 7.721 2.640 -8.685 1.00 0.00 O ATOM 387 CB ARG A 24 8.932 0.012 -10.291 1.00 0.00 C ATOM 388 CG ARG A 24 8.102 0.709 -11.357 1.00 0.00 C ATOM 389 CD ARG A 24 7.735 -0.237 -12.488 1.00 0.00 C ATOM 390 NE ARG A 24 6.900 0.413 -13.494 1.00 0.00 N ATOM 391 CZ ARG A 24 6.383 -0.216 -14.546 1.00 0.00 C ATOM 392 NH1 ARG A 24 6.618 -1.508 -14.733 1.00 0.00 N ATOM 393 NH2 ARG A 24 5.629 0.446 -15.412 1.00 0.00 N ATOM 0 H ARG A 24 10.308 -0.773 -8.391 1.00 0.00 H new ATOM 0 HA ARG A 24 9.918 1.769 -9.538 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.828 -0.402 -10.753 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.363 -0.827 -9.890 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.193 1.109 -10.907 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.659 1.556 -11.757 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.645 -0.611 -12.958 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.208 -1.101 -12.082 1.00 0.00 H new ATOM 0 HE ARG A 24 6.701 1.407 -13.384 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.197 -2.022 -14.069 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.220 -1.987 -15.541 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.444 1.439 -15.272 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.233 -0.038 -16.218 1.00 0.00 H new ATOM 407 N PHE A 25 7.468 0.678 -7.614 1.00 0.00 N ATOM 408 CA PHE A 25 6.263 1.100 -6.907 1.00 0.00 C ATOM 409 C PHE A 25 6.529 2.334 -6.049 1.00 0.00 C ATOM 410 O PHE A 25 5.870 3.360 -6.205 1.00 0.00 O ATOM 411 CB PHE A 25 5.731 -0.037 -6.031 1.00 0.00 C ATOM 412 CG PHE A 25 4.612 0.383 -5.120 1.00 0.00 C ATOM 413 CD1 PHE A 25 3.390 0.782 -5.639 1.00 0.00 C ATOM 414 CD2 PHE A 25 4.783 0.382 -3.746 1.00 0.00 C ATOM 415 CE1 PHE A 25 2.361 1.173 -4.805 1.00 0.00 C ATOM 416 CE2 PHE A 25 3.758 0.772 -2.905 1.00 0.00 C ATOM 417 CZ PHE A 25 2.545 1.168 -3.436 1.00 0.00 C ATOM 0 H PHE A 25 7.769 -0.274 -7.406 1.00 0.00 H new ATOM 0 HA PHE A 25 5.513 1.357 -7.655 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.383 -0.847 -6.672 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.548 -0.435 -5.430 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.241 0.787 -6.709 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.729 0.073 -3.326 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.414 1.482 -5.222 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.905 0.767 -1.835 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.742 1.473 -2.781 1.00 0.00 H new ATOM 427 N LYS A 26 7.496 2.225 -5.143 1.00 0.00 N ATOM 428 CA LYS A 26 7.847 3.335 -4.262 1.00 0.00 C ATOM 429 C LYS A 26 8.269 4.559 -5.068 1.00 0.00 C ATOM 430 O LYS A 26 7.967 5.693 -4.699 1.00 0.00 O ATOM 431 CB LYS A 26 8.975 2.918 -3.317 1.00 0.00 C ATOM 432 CG LYS A 26 8.577 1.820 -2.346 1.00 0.00 C ATOM 433 CD LYS A 26 9.795 1.157 -1.725 1.00 0.00 C ATOM 434 CE LYS A 26 10.533 2.097 -0.784 1.00 0.00 C ATOM 435 NZ LYS A 26 9.770 2.342 0.470 1.00 0.00 N ATOM 0 H LYS A 26 8.050 1.381 -4.999 1.00 0.00 H new ATOM 0 HA LYS A 26 6.966 3.597 -3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.826 2.579 -3.907 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.306 3.789 -2.752 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.949 2.238 -1.560 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.980 1.071 -2.867 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.485 0.266 -1.179 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.471 0.828 -2.514 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.507 1.674 -0.539 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.716 3.046 -1.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.428 2.608 1.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.088 3.112 0.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.260 1.477 0.740 1.00 0.00 H new ATOM 449 N TYR A 27 8.971 4.318 -6.169 1.00 0.00 N ATOM 450 CA TYR A 27 9.437 5.395 -7.035 1.00 0.00 C ATOM 451 C TYR A 27 8.269 6.044 -7.773 1.00 0.00 C ATOM 452 O TYR A 27 8.338 7.211 -8.157 1.00 0.00 O ATOM 453 CB TYR A 27 10.455 4.856 -8.044 1.00 0.00 C ATOM 454 CG TYR A 27 11.035 5.913 -8.958 1.00 0.00 C ATOM 455 CD1 TYR A 27 12.117 6.688 -8.559 1.00 0.00 C ATOM 456 CD2 TYR A 27 10.501 6.132 -10.220 1.00 0.00 C ATOM 457 CE1 TYR A 27 12.649 7.652 -9.395 1.00 0.00 C ATOM 458 CE2 TYR A 27 11.027 7.094 -11.062 1.00 0.00 C ATOM 459 CZ TYR A 27 12.101 7.851 -10.645 1.00 0.00 C ATOM 460 OH TYR A 27 12.629 8.808 -11.480 1.00 0.00 O ATOM 0 H TYR A 27 9.231 3.383 -6.484 1.00 0.00 H new ATOM 0 HA TYR A 27 9.914 6.151 -6.412 1.00 0.00 H new ATOM 0 HB2 TYR A 27 11.268 4.374 -7.502 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.977 4.088 -8.652 1.00 0.00 H new ATOM 0 HD1 TYR A 27 12.549 6.535 -7.581 1.00 0.00 H new ATOM 0 HD2 TYR A 27 9.660 5.541 -10.550 1.00 0.00 H new ATOM 0 HE1 TYR A 27 13.490 8.247 -9.071 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.599 7.252 -12.041 1.00 0.00 H new ATOM 0 HH TYR A 27 12.128 8.819 -12.322 1.00 0.00 H new ATOM 470 N PHE A 28 7.197 5.282 -7.963 1.00 0.00 N ATOM 471 CA PHE A 28 6.021 5.782 -8.662 1.00 0.00 C ATOM 472 C PHE A 28 5.169 6.648 -7.742 1.00 0.00 C ATOM 473 O PHE A 28 4.853 7.792 -8.067 1.00 0.00 O ATOM 474 CB PHE A 28 5.191 4.616 -9.199 1.00 0.00 C ATOM 475 CG PHE A 28 4.404 4.958 -10.431 1.00 0.00 C ATOM 476 CD1 PHE A 28 3.123 5.472 -10.331 1.00 0.00 C ATOM 477 CD2 PHE A 28 4.949 4.763 -11.690 1.00 0.00 C ATOM 478 CE1 PHE A 28 2.397 5.788 -11.463 1.00 0.00 C ATOM 479 CE2 PHE A 28 4.229 5.077 -12.827 1.00 0.00 C ATOM 480 CZ PHE A 28 2.951 5.590 -12.714 1.00 0.00 C ATOM 0 H PHE A 28 7.119 4.317 -7.643 1.00 0.00 H new ATOM 0 HA PHE A 28 6.357 6.396 -9.498 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.855 3.780 -9.422 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.505 4.280 -8.421 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.686 5.628 -9.356 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.947 4.361 -11.784 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.398 6.189 -11.371 1.00 0.00 H new ATOM 0 HE2 PHE A 28 4.665 4.922 -13.803 1.00 0.00 H new ATOM 0 HZ PHE A 28 2.386 5.836 -13.601 1.00 0.00 H new ATOM 490 N ALA A 29 4.799 6.094 -6.591 1.00 0.00 N ATOM 491 CA ALA A 29 3.982 6.815 -5.623 1.00 0.00 C ATOM 492 C ALA A 29 4.725 8.019 -5.060 1.00 0.00 C ATOM 493 O ALA A 29 4.208 9.136 -5.064 1.00 0.00 O ATOM 494 CB ALA A 29 3.559 5.888 -4.495 1.00 0.00 C ATOM 0 H ALA A 29 5.053 5.148 -6.307 1.00 0.00 H new ATOM 0 HA ALA A 29 3.093 7.177 -6.140 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.949 6.440 -3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.979 5.060 -4.903 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.444 5.498 -3.993 1.00 0.00 H new ATOM 500 N LEU A 30 5.944 7.788 -4.578 1.00 0.00 N ATOM 501 CA LEU A 30 6.749 8.860 -4.009 1.00 0.00 C ATOM 502 C LEU A 30 7.660 9.473 -5.066 1.00 0.00 C ATOM 503 O LEU A 30 8.786 9.019 -5.267 1.00 0.00 O ATOM 504 CB LEU A 30 7.595 8.338 -2.837 1.00 0.00 C ATOM 505 CG LEU A 30 6.818 7.703 -1.673 1.00 0.00 C ATOM 506 CD1 LEU A 30 5.674 8.601 -1.226 1.00 0.00 C ATOM 507 CD2 LEU A 30 6.303 6.322 -2.057 1.00 0.00 C ATOM 0 H LEU A 30 6.392 6.872 -4.571 1.00 0.00 H new ATOM 0 HA LEU A 30 6.069 9.629 -3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.298 7.600 -3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.185 9.166 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 30 7.504 7.590 -0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.141 8.128 -0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.072 9.561 -0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.988 8.758 -2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.756 5.891 -1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.639 6.407 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.145 5.677 -2.311 1.00 0.00 H new ATOM 519 N THR A 31 7.160 10.499 -5.747 1.00 0.00 N ATOM 520 CA THR A 31 7.935 11.181 -6.775 1.00 0.00 C ATOM 521 C THR A 31 8.698 12.365 -6.189 1.00 0.00 C ATOM 522 O THR A 31 9.902 12.511 -6.403 1.00 0.00 O ATOM 523 CB THR A 31 7.034 11.682 -7.920 1.00 0.00 C ATOM 524 OG1 THR A 31 6.071 12.614 -7.417 1.00 0.00 O ATOM 525 CG2 THR A 31 6.318 10.519 -8.590 1.00 0.00 C ATOM 0 H THR A 31 6.223 10.875 -5.605 1.00 0.00 H new ATOM 0 HA THR A 31 8.643 10.454 -7.173 1.00 0.00 H new ATOM 0 HB THR A 31 7.665 12.177 -8.658 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.504 12.928 -8.152 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.687 10.895 -9.395 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.053 9.826 -8.999 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.700 10.001 -7.857 1.00 0.00 H new ATOM 533 N GLU A 32 7.982 13.204 -5.446 1.00 0.00 N ATOM 534 CA GLU A 32 8.576 14.383 -4.825 1.00 0.00 C ATOM 535 C GLU A 32 8.965 14.102 -3.377 1.00 0.00 C ATOM 536 O GLU A 32 9.744 14.846 -2.780 1.00 0.00 O ATOM 537 CB GLU A 32 7.596 15.557 -4.882 1.00 0.00 C ATOM 538 CG GLU A 32 7.110 15.875 -6.287 1.00 0.00 C ATOM 539 CD GLU A 32 6.083 16.989 -6.311 1.00 0.00 C ATOM 540 OE1 GLU A 32 4.878 16.691 -6.167 1.00 0.00 O ATOM 541 OE2 GLU A 32 6.482 18.162 -6.474 1.00 0.00 O ATOM 0 H GLU A 32 6.986 13.088 -5.259 1.00 0.00 H new ATOM 0 HA GLU A 32 9.479 14.640 -5.379 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.736 15.333 -4.251 1.00 0.00 H new ATOM 0 HB3 GLU A 32 8.076 16.441 -4.464 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.961 16.157 -6.907 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.677 14.978 -6.729 1.00 0.00 H new ATOM 548 N PHE A 33 8.422 13.025 -2.818 1.00 0.00 N ATOM 549 CA PHE A 33 8.707 12.658 -1.436 1.00 0.00 C ATOM 550 C PHE A 33 10.073 11.989 -1.316 1.00 0.00 C ATOM 551 O PHE A 33 10.681 11.990 -0.245 1.00 0.00 O ATOM 552 CB PHE A 33 7.625 11.719 -0.903 1.00 0.00 C ATOM 553 CG PHE A 33 6.231 12.258 -1.055 1.00 0.00 C ATOM 554 CD1 PHE A 33 5.692 13.104 -0.100 1.00 0.00 C ATOM 555 CD2 PHE A 33 5.460 11.917 -2.155 1.00 0.00 C ATOM 556 CE1 PHE A 33 4.409 13.599 -0.239 1.00 0.00 C ATOM 557 CE2 PHE A 33 4.178 12.410 -2.300 1.00 0.00 C ATOM 558 CZ PHE A 33 3.651 13.252 -1.340 1.00 0.00 C ATOM 0 H PHE A 33 7.783 12.392 -3.300 1.00 0.00 H new ATOM 0 HA PHE A 33 8.716 13.572 -0.842 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.695 10.765 -1.425 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.816 11.521 0.152 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.281 13.380 0.763 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.866 11.258 -2.908 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.999 14.257 0.513 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.588 12.138 -3.163 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.648 13.638 -1.450 1.00 0.00 H new ATOM 568 N GLN A 34 10.547 11.424 -2.424 1.00 0.00 N ATOM 569 CA GLN A 34 11.840 10.749 -2.450 1.00 0.00 C ATOM 570 C GLN A 34 11.981 9.800 -1.262 1.00 0.00 C ATOM 571 O GLN A 34 12.780 10.040 -0.356 1.00 0.00 O ATOM 572 CB GLN A 34 12.977 11.775 -2.445 1.00 0.00 C ATOM 573 CG GLN A 34 14.342 11.175 -2.746 1.00 0.00 C ATOM 574 CD GLN A 34 14.453 10.661 -4.168 1.00 0.00 C ATOM 575 OE1 GLN A 34 14.839 11.395 -5.078 1.00 0.00 O ATOM 576 NE2 GLN A 34 14.113 9.393 -4.367 1.00 0.00 N ATOM 0 H GLN A 34 10.053 11.421 -3.316 1.00 0.00 H new ATOM 0 HA GLN A 34 11.899 10.162 -3.367 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.760 12.549 -3.181 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.011 12.262 -1.471 1.00 0.00 H new ATOM 0 HG2 GLN A 34 15.111 11.928 -2.575 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.536 10.357 -2.052 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.798 8.820 -3.584 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.167 8.992 -5.303 1.00 0.00 H new ATOM 585 N ILE A 35 11.189 8.732 -1.267 1.00 0.00 N ATOM 586 CA ILE A 35 11.223 7.750 -0.188 1.00 0.00 C ATOM 587 C ILE A 35 12.640 7.213 0.014 1.00 0.00 C ATOM 588 O ILE A 35 13.471 7.283 -0.891 1.00 0.00 O ATOM 589 CB ILE A 35 10.253 6.581 -0.467 1.00 0.00 C ATOM 590 CG1 ILE A 35 9.809 5.927 0.843 1.00 0.00 C ATOM 591 CG2 ILE A 35 10.895 5.556 -1.390 1.00 0.00 C ATOM 592 CD1 ILE A 35 8.767 6.729 1.596 1.00 0.00 C ATOM 0 H ILE A 35 10.516 8.525 -2.005 1.00 0.00 H new ATOM 0 HA ILE A 35 10.904 8.254 0.724 1.00 0.00 H new ATOM 0 HB ILE A 35 9.371 6.981 -0.967 1.00 0.00 H new ATOM 0 HG12 ILE A 35 9.408 4.937 0.628 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.680 5.786 1.483 1.00 0.00 H new ATOM 0 HG21 ILE A 35 10.194 4.742 -1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.155 6.031 -2.336 1.00 0.00 H new ATOM 0 HG23 ILE A 35 11.797 5.160 -0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.499 6.206 2.514 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.172 7.711 1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.880 6.848 0.974 1.00 0.00 H new ATOM 604 N ALA A 36 12.910 6.679 1.202 1.00 0.00 N ATOM 605 CA ALA A 36 14.233 6.145 1.516 1.00 0.00 C ATOM 606 C ALA A 36 14.273 4.622 1.414 1.00 0.00 C ATOM 607 O ALA A 36 13.449 3.927 2.008 1.00 0.00 O ATOM 608 CB ALA A 36 14.658 6.591 2.906 1.00 0.00 C ATOM 0 H ALA A 36 12.233 6.604 1.961 1.00 0.00 H new ATOM 0 HA ALA A 36 14.932 6.540 0.779 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.645 6.188 3.131 1.00 0.00 H new ATOM 0 HB2 ALA A 36 14.693 7.680 2.944 1.00 0.00 H new ATOM 0 HB3 ALA A 36 13.941 6.225 3.641 1.00 0.00 H new ATOM 614 N ARG A 37 15.242 4.115 0.653 1.00 0.00 N ATOM 615 CA ARG A 37 15.411 2.677 0.466 1.00 0.00 C ATOM 616 C ARG A 37 15.826 1.993 1.766 1.00 0.00 C ATOM 617 O ARG A 37 15.655 0.787 1.924 1.00 0.00 O ATOM 618 CB ARG A 37 16.468 2.408 -0.605 1.00 0.00 C ATOM 619 CG ARG A 37 17.844 2.942 -0.238 1.00 0.00 C ATOM 620 CD ARG A 37 18.916 2.429 -1.185 1.00 0.00 C ATOM 621 NE ARG A 37 18.974 0.970 -1.212 1.00 0.00 N ATOM 622 CZ ARG A 37 19.832 0.279 -1.955 1.00 0.00 C ATOM 623 NH1 ARG A 37 20.702 0.912 -2.731 1.00 0.00 N ATOM 624 NH2 ARG A 37 19.819 -1.047 -1.926 1.00 0.00 N ATOM 0 H ARG A 37 15.925 4.684 0.154 1.00 0.00 H new ATOM 0 HA ARG A 37 14.451 2.268 0.150 1.00 0.00 H new ATOM 0 HB2 ARG A 37 16.536 1.334 -0.777 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.148 2.861 -1.543 1.00 0.00 H new ATOM 0 HG2 ARG A 37 17.830 4.032 -0.261 1.00 0.00 H new ATOM 0 HG3 ARG A 37 18.089 2.647 0.783 1.00 0.00 H new ATOM 0 HD2 ARG A 37 18.720 2.802 -2.190 1.00 0.00 H new ATOM 0 HD3 ARG A 37 19.886 2.824 -0.882 1.00 0.00 H new ATOM 0 HE ARG A 37 18.318 0.452 -0.627 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.713 1.932 -2.758 1.00 0.00 H new ATOM 0 HH12 ARG A 37 21.360 0.379 -3.300 1.00 0.00 H new ATOM 0 HH21 ARG A 37 19.150 -1.538 -1.333 1.00 0.00 H new ATOM 0 HH22 ARG A 37 20.478 -1.576 -2.497 1.00 0.00 H new ATOM 638 N SER A 38 16.387 2.766 2.688 1.00 0.00 N ATOM 639 CA SER A 38 16.831 2.223 3.967 1.00 0.00 C ATOM 640 C SER A 38 15.669 1.592 4.727 1.00 0.00 C ATOM 641 O SER A 38 15.845 0.618 5.458 1.00 0.00 O ATOM 642 CB SER A 38 17.470 3.323 4.816 1.00 0.00 C ATOM 643 OG SER A 38 17.938 2.811 6.051 1.00 0.00 O ATOM 0 H SER A 38 16.545 3.767 2.575 1.00 0.00 H new ATOM 0 HA SER A 38 17.572 1.449 3.765 1.00 0.00 H new ATOM 0 HB2 SER A 38 18.298 3.773 4.269 1.00 0.00 H new ATOM 0 HB3 SER A 38 16.742 4.113 5.000 1.00 0.00 H new ATOM 0 HG SER A 38 18.343 3.535 6.573 1.00 0.00 H new ATOM 649 N THR A 39 14.480 2.155 4.541 1.00 0.00 N ATOM 650 CA THR A 39 13.278 1.666 5.208 1.00 0.00 C ATOM 651 C THR A 39 12.739 0.400 4.549 1.00 0.00 C ATOM 652 O THR A 39 11.954 -0.331 5.150 1.00 0.00 O ATOM 653 CB THR A 39 12.174 2.736 5.201 1.00 0.00 C ATOM 654 OG1 THR A 39 11.744 2.987 3.857 1.00 0.00 O ATOM 655 CG2 THR A 39 12.674 4.029 5.828 1.00 0.00 C ATOM 0 H THR A 39 14.322 2.956 3.929 1.00 0.00 H new ATOM 0 HA THR A 39 13.562 1.435 6.235 1.00 0.00 H new ATOM 0 HB THR A 39 11.333 2.366 5.788 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.403 3.553 3.403 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.877 4.773 5.813 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.975 3.841 6.859 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.528 4.401 5.262 1.00 0.00 H new ATOM 663 N LEU A 40 13.167 0.157 3.313 1.00 0.00 N ATOM 664 CA LEU A 40 12.730 -1.008 2.539 1.00 0.00 C ATOM 665 C LEU A 40 12.712 -2.290 3.378 1.00 0.00 C ATOM 666 O LEU A 40 11.995 -3.237 3.057 1.00 0.00 O ATOM 667 CB LEU A 40 13.655 -1.193 1.334 1.00 0.00 C ATOM 668 CG LEU A 40 13.036 -1.891 0.125 1.00 0.00 C ATOM 669 CD1 LEU A 40 11.969 -1.011 -0.504 1.00 0.00 C ATOM 670 CD2 LEU A 40 14.112 -2.232 -0.894 1.00 0.00 C ATOM 0 H LEU A 40 13.825 0.759 2.818 1.00 0.00 H new ATOM 0 HA LEU A 40 11.708 -0.822 2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 40 14.013 -0.212 1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.527 -1.764 1.653 1.00 0.00 H new ATOM 0 HG LEU A 40 12.568 -2.817 0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.537 -1.522 -1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.187 -0.808 0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.417 -0.071 -0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 40 13.657 -2.729 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 40 14.603 -1.317 -1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 40 14.848 -2.895 -0.438 1.00 0.00 H new ATOM 682 N ASP A 41 13.501 -2.312 4.448 1.00 0.00 N ATOM 683 CA ASP A 41 13.578 -3.479 5.324 1.00 0.00 C ATOM 684 C ASP A 41 12.205 -3.848 5.890 1.00 0.00 C ATOM 685 O ASP A 41 11.756 -4.986 5.754 1.00 0.00 O ATOM 686 CB ASP A 41 14.560 -3.207 6.467 1.00 0.00 C ATOM 687 CG ASP A 41 14.820 -4.439 7.314 1.00 0.00 C ATOM 688 OD1 ASP A 41 15.687 -5.251 6.930 1.00 0.00 O ATOM 689 OD2 ASP A 41 14.157 -4.589 8.362 1.00 0.00 O ATOM 0 H ASP A 41 14.097 -1.534 4.731 1.00 0.00 H new ATOM 0 HA ASP A 41 13.932 -4.322 4.731 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.503 -2.848 6.054 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.165 -2.412 7.099 1.00 0.00 H new ATOM 694 N VAL A 42 11.547 -2.882 6.526 1.00 0.00 N ATOM 695 CA VAL A 42 10.228 -3.107 7.117 1.00 0.00 C ATOM 696 C VAL A 42 9.212 -2.093 6.609 1.00 0.00 C ATOM 697 O VAL A 42 8.131 -1.941 7.180 1.00 0.00 O ATOM 698 CB VAL A 42 10.279 -3.016 8.651 1.00 0.00 C ATOM 699 CG1 VAL A 42 10.952 -4.246 9.242 1.00 0.00 C ATOM 700 CG2 VAL A 42 10.996 -1.747 9.083 1.00 0.00 C ATOM 0 H VAL A 42 11.905 -1.934 6.646 1.00 0.00 H new ATOM 0 HA VAL A 42 9.922 -4.110 6.820 1.00 0.00 H new ATOM 0 HB VAL A 42 9.257 -2.978 9.028 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.977 -4.160 10.328 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.392 -5.138 8.961 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.970 -4.322 8.860 1.00 0.00 H new ATOM 0 HG21 VAL A 42 11.024 -1.697 10.172 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.014 -1.754 8.694 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.465 -0.878 8.694 1.00 0.00 H new ATOM 710 N ALA A 43 9.566 -1.403 5.534 1.00 0.00 N ATOM 711 CA ALA A 43 8.705 -0.383 4.952 1.00 0.00 C ATOM 712 C ALA A 43 7.296 -0.879 4.685 1.00 0.00 C ATOM 713 O ALA A 43 6.344 -0.113 4.754 1.00 0.00 O ATOM 714 CB ALA A 43 9.310 0.159 3.670 1.00 0.00 C ATOM 0 H ALA A 43 10.451 -1.533 5.044 1.00 0.00 H new ATOM 0 HA ALA A 43 8.632 0.415 5.691 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.652 0.920 3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.283 0.600 3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.430 -0.653 2.953 1.00 0.00 H new ATOM 720 N ASP A 44 7.146 -2.158 4.405 1.00 0.00 N ATOM 721 CA ASP A 44 5.831 -2.685 4.087 1.00 0.00 C ATOM 722 C ASP A 44 4.821 -2.453 5.212 1.00 0.00 C ATOM 723 O ASP A 44 3.761 -1.870 4.979 1.00 0.00 O ATOM 724 CB ASP A 44 5.930 -4.183 3.784 1.00 0.00 C ATOM 725 CG ASP A 44 6.586 -4.960 4.909 1.00 0.00 C ATOM 726 OD1 ASP A 44 7.833 -5.005 4.951 1.00 0.00 O ATOM 727 OD2 ASP A 44 5.852 -5.525 5.747 1.00 0.00 O ATOM 0 H ASP A 44 7.902 -2.842 4.390 1.00 0.00 H new ATOM 0 HA ASP A 44 5.471 -2.148 3.210 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.931 -4.581 3.606 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.500 -4.328 2.866 1.00 0.00 H new ATOM 732 N ARG A 45 5.135 -2.899 6.424 1.00 0.00 N ATOM 733 CA ARG A 45 4.206 -2.732 7.540 1.00 0.00 C ATOM 734 C ARG A 45 4.223 -1.347 8.215 1.00 0.00 C ATOM 735 O ARG A 45 3.218 -0.638 8.215 1.00 0.00 O ATOM 736 CB ARG A 45 4.441 -3.827 8.589 1.00 0.00 C ATOM 737 CG ARG A 45 5.891 -3.980 9.025 1.00 0.00 C ATOM 738 CD ARG A 45 6.074 -5.177 9.946 1.00 0.00 C ATOM 739 NE ARG A 45 5.657 -6.426 9.315 1.00 0.00 N ATOM 740 CZ ARG A 45 5.817 -7.624 9.873 1.00 0.00 C ATOM 741 NH1 ARG A 45 6.381 -7.735 11.069 1.00 0.00 N ATOM 742 NH2 ARG A 45 5.413 -8.712 9.232 1.00 0.00 N ATOM 0 H ARG A 45 6.009 -3.371 6.658 1.00 0.00 H new ATOM 0 HA ARG A 45 3.214 -2.820 7.096 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.832 -3.609 9.466 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.093 -4.779 8.187 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.526 -4.095 8.146 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.216 -3.074 9.536 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.121 -5.252 10.239 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.498 -5.023 10.859 1.00 0.00 H new ATOM 0 HE ARG A 45 5.219 -6.378 8.395 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.694 -6.900 11.565 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.501 -8.655 11.493 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.980 -8.631 8.312 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.535 -9.630 9.659 1.00 0.00 H new ATOM 756 N THR A 46 5.371 -0.975 8.785 1.00 0.00 N ATOM 757 CA THR A 46 5.498 0.273 9.551 1.00 0.00 C ATOM 758 C THR A 46 5.754 1.568 8.768 1.00 0.00 C ATOM 759 O THR A 46 4.984 2.522 8.873 1.00 0.00 O ATOM 760 CB THR A 46 6.608 0.134 10.607 1.00 0.00 C ATOM 761 OG1 THR A 46 7.850 -0.198 9.974 1.00 0.00 O ATOM 762 CG2 THR A 46 6.250 -0.937 11.627 1.00 0.00 C ATOM 0 H THR A 46 6.231 -1.521 8.732 1.00 0.00 H new ATOM 0 HA THR A 46 4.503 0.392 9.979 1.00 0.00 H new ATOM 0 HB THR A 46 6.710 1.088 11.124 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.551 -0.283 10.654 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.049 -1.019 12.364 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.320 -0.667 12.128 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.124 -1.894 11.121 1.00 0.00 H new ATOM 770 N GLU A 47 6.829 1.597 7.988 1.00 0.00 N ATOM 771 CA GLU A 47 7.246 2.823 7.298 1.00 0.00 C ATOM 772 C GLU A 47 6.330 3.294 6.164 1.00 0.00 C ATOM 773 O GLU A 47 5.810 4.408 6.227 1.00 0.00 O ATOM 774 CB GLU A 47 8.676 2.651 6.793 1.00 0.00 C ATOM 775 CG GLU A 47 9.696 3.433 7.606 1.00 0.00 C ATOM 776 CD GLU A 47 9.646 3.096 9.084 1.00 0.00 C ATOM 777 OE1 GLU A 47 10.336 2.140 9.499 1.00 0.00 O ATOM 778 OE2 GLU A 47 8.918 3.788 9.827 1.00 0.00 O ATOM 0 H GLU A 47 7.429 0.791 7.815 1.00 0.00 H new ATOM 0 HA GLU A 47 7.178 3.617 8.042 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.937 1.593 6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.728 2.971 5.752 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.696 3.226 7.224 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.519 4.500 7.474 1.00 0.00 H new ATOM 785 N LEU A 48 6.129 2.478 5.137 1.00 0.00 N ATOM 786 CA LEU A 48 5.280 2.891 4.015 1.00 0.00 C ATOM 787 C LEU A 48 3.907 3.329 4.495 1.00 0.00 C ATOM 788 O LEU A 48 3.381 4.344 4.050 1.00 0.00 O ATOM 789 CB LEU A 48 5.131 1.772 2.980 1.00 0.00 C ATOM 790 CG LEU A 48 6.329 1.585 2.048 1.00 0.00 C ATOM 791 CD1 LEU A 48 6.151 0.339 1.196 1.00 0.00 C ATOM 792 CD2 LEU A 48 6.515 2.811 1.166 1.00 0.00 C ATOM 0 H LEU A 48 6.531 1.544 5.052 1.00 0.00 H new ATOM 0 HA LEU A 48 5.774 3.739 3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.950 0.834 3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.248 1.974 2.374 1.00 0.00 H new ATOM 0 HG LEU A 48 7.224 1.461 2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.013 0.221 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.066 -0.535 1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.247 0.435 0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.372 2.660 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.619 2.966 0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.687 3.687 1.792 1.00 0.00 H new ATOM 804 N ALA A 49 3.339 2.562 5.412 1.00 0.00 N ATOM 805 CA ALA A 49 2.015 2.866 5.946 1.00 0.00 C ATOM 806 C ALA A 49 1.933 4.290 6.495 1.00 0.00 C ATOM 807 O ALA A 49 1.079 5.071 6.086 1.00 0.00 O ATOM 808 CB ALA A 49 1.646 1.864 7.029 1.00 0.00 C ATOM 0 H ALA A 49 3.771 1.725 5.803 1.00 0.00 H new ATOM 0 HA ALA A 49 1.303 2.791 5.124 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.657 2.100 7.421 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.639 0.859 6.608 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.377 1.914 7.836 1.00 0.00 H new ATOM 814 N ASP A 50 2.832 4.625 7.410 1.00 0.00 N ATOM 815 CA ASP A 50 2.845 5.949 8.030 1.00 0.00 C ATOM 816 C ASP A 50 3.216 7.057 7.040 1.00 0.00 C ATOM 817 O ASP A 50 2.715 8.177 7.137 1.00 0.00 O ATOM 818 CB ASP A 50 3.822 5.963 9.206 1.00 0.00 C ATOM 819 CG ASP A 50 3.872 7.308 9.903 1.00 0.00 C ATOM 820 OD1 ASP A 50 4.682 8.164 9.486 1.00 0.00 O ATOM 821 OD2 ASP A 50 3.103 7.506 10.867 1.00 0.00 O ATOM 0 H ASP A 50 3.565 3.998 7.742 1.00 0.00 H new ATOM 0 HA ASP A 50 1.832 6.150 8.380 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.532 5.196 9.924 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.819 5.705 8.849 1.00 0.00 H new ATOM 826 N HIS A 51 4.092 6.741 6.094 1.00 0.00 N ATOM 827 CA HIS A 51 4.560 7.726 5.117 1.00 0.00 C ATOM 828 C HIS A 51 3.507 8.103 4.071 1.00 0.00 C ATOM 829 O HIS A 51 3.157 9.276 3.937 1.00 0.00 O ATOM 830 CB HIS A 51 5.813 7.204 4.414 1.00 0.00 C ATOM 831 CG HIS A 51 7.083 7.530 5.138 1.00 0.00 C ATOM 832 ND1 HIS A 51 7.711 8.755 5.071 1.00 0.00 N ATOM 833 CD2 HIS A 51 7.843 6.765 5.962 1.00 0.00 C ATOM 834 CE1 HIS A 51 8.808 8.697 5.838 1.00 0.00 C ATOM 835 NE2 HIS A 51 8.934 7.511 6.401 1.00 0.00 N ATOM 0 H HIS A 51 4.495 5.811 5.980 1.00 0.00 H new ATOM 0 HA HIS A 51 4.782 8.633 5.679 1.00 0.00 H new ATOM 0 HB2 HIS A 51 5.734 6.122 4.304 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.858 7.625 3.409 1.00 0.00 H new ATOM 0 HD2 HIS A 51 7.635 5.741 6.234 1.00 0.00 H new ATOM 0 HE1 HIS A 51 9.499 9.515 5.977 1.00 0.00 H new ATOM 0 HE2 HIS A 51 9.677 7.204 7.028 1.00 0.00 H new ATOM 843 N LEU A 52 3.008 7.118 3.332 1.00 0.00 N ATOM 844 CA LEU A 52 2.035 7.379 2.271 1.00 0.00 C ATOM 845 C LEU A 52 0.731 7.986 2.794 1.00 0.00 C ATOM 846 O LEU A 52 0.099 8.784 2.101 1.00 0.00 O ATOM 847 CB LEU A 52 1.746 6.101 1.477 1.00 0.00 C ATOM 848 CG LEU A 52 1.099 4.961 2.261 1.00 0.00 C ATOM 849 CD1 LEU A 52 -0.417 5.031 2.168 1.00 0.00 C ATOM 850 CD2 LEU A 52 1.606 3.622 1.751 1.00 0.00 C ATOM 0 H LEU A 52 3.258 6.136 3.445 1.00 0.00 H new ATOM 0 HA LEU A 52 2.487 8.120 1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.096 6.356 0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.683 5.739 1.054 1.00 0.00 H new ATOM 0 HG LEU A 52 1.376 5.063 3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.855 4.209 2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.763 5.979 2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.721 4.955 1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.138 2.816 2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.356 3.516 0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.688 3.572 1.875 1.00 0.00 H new ATOM 862 N ILE A 53 0.322 7.613 4.003 1.00 0.00 N ATOM 863 CA ILE A 53 -0.920 8.137 4.574 1.00 0.00 C ATOM 864 C ILE A 53 -0.888 9.662 4.686 1.00 0.00 C ATOM 865 O ILE A 53 -1.881 10.331 4.409 1.00 0.00 O ATOM 866 CB ILE A 53 -1.219 7.525 5.965 1.00 0.00 C ATOM 867 CG1 ILE A 53 -1.697 6.071 5.838 1.00 0.00 C ATOM 868 CG2 ILE A 53 -2.251 8.355 6.719 1.00 0.00 C ATOM 869 CD1 ILE A 53 -2.732 5.845 4.755 1.00 0.00 C ATOM 0 H ILE A 53 0.824 6.958 4.602 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.717 7.849 3.889 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.289 7.533 6.533 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.835 5.434 5.639 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.114 5.753 6.794 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.442 7.902 7.692 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.872 9.368 6.858 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.178 8.390 6.147 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.013 4.792 4.735 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.613 6.452 4.962 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.315 6.128 3.788 1.00 0.00 H new ATOM 881 N GLN A 54 0.254 10.204 5.090 1.00 0.00 N ATOM 882 CA GLN A 54 0.404 11.649 5.242 1.00 0.00 C ATOM 883 C GLN A 54 0.114 12.385 3.936 1.00 0.00 C ATOM 884 O GLN A 54 -0.282 13.551 3.949 1.00 0.00 O ATOM 885 CB GLN A 54 1.813 11.991 5.726 1.00 0.00 C ATOM 886 CG GLN A 54 2.132 11.441 7.106 1.00 0.00 C ATOM 887 CD GLN A 54 3.476 11.911 7.629 1.00 0.00 C ATOM 888 OE1 GLN A 54 3.869 13.124 7.254 1.00 0.00 O flip ATOM 889 NE2 GLN A 54 4.153 11.194 8.367 1.00 0.00 N flip ATOM 0 H GLN A 54 1.090 9.667 5.319 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.323 11.977 5.985 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.538 11.601 5.012 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.930 13.075 5.740 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.350 11.744 7.803 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.122 10.352 7.069 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.814 10.269 8.631 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.053 11.525 8.715 1.00 0.00 H new ATOM 898 N SER A 55 0.317 11.702 2.814 1.00 0.00 N ATOM 899 CA SER A 55 0.096 12.303 1.499 1.00 0.00 C ATOM 900 C SER A 55 -1.324 12.848 1.346 1.00 0.00 C ATOM 901 O SER A 55 -1.509 14.034 1.072 1.00 0.00 O ATOM 902 CB SER A 55 0.380 11.283 0.396 1.00 0.00 C ATOM 903 OG SER A 55 0.165 11.845 -0.886 1.00 0.00 O ATOM 0 H SER A 55 0.634 10.733 2.787 1.00 0.00 H new ATOM 0 HA SER A 55 0.785 13.143 1.409 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.410 10.934 0.475 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.263 10.412 0.527 1.00 0.00 H new ATOM 0 HG SER A 55 0.355 11.173 -1.574 1.00 0.00 H new ATOM 909 N ALA A 56 -2.326 11.987 1.520 1.00 0.00 N ATOM 910 CA ALA A 56 -3.718 12.411 1.380 1.00 0.00 C ATOM 911 C ALA A 56 -4.538 12.119 2.634 1.00 0.00 C ATOM 912 O ALA A 56 -5.424 12.893 2.998 1.00 0.00 O ATOM 913 CB ALA A 56 -4.350 11.736 0.173 1.00 0.00 C ATOM 0 H ALA A 56 -2.202 11.002 1.756 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.717 13.491 1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.387 12.058 0.077 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.800 12.011 -0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.317 10.654 0.302 1.00 0.00 H new ATOM 919 N GLY A 57 -4.239 11.004 3.290 1.00 0.00 N ATOM 920 CA GLY A 57 -4.965 10.630 4.490 1.00 0.00 C ATOM 921 C GLY A 57 -4.942 9.134 4.730 1.00 0.00 C ATOM 922 O GLY A 57 -4.398 8.382 3.923 1.00 0.00 O ATOM 0 H GLY A 57 -3.506 10.351 3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.531 11.141 5.349 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.998 10.967 4.407 1.00 0.00 H new ATOM 926 N ALA A 58 -5.538 8.699 5.836 1.00 0.00 N ATOM 927 CA ALA A 58 -5.568 7.283 6.178 1.00 0.00 C ATOM 928 C ALA A 58 -6.381 6.467 5.176 1.00 0.00 C ATOM 929 O ALA A 58 -5.825 5.690 4.405 1.00 0.00 O ATOM 930 CB ALA A 58 -6.121 7.092 7.580 1.00 0.00 C ATOM 0 H ALA A 58 -6.006 9.306 6.509 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.542 6.918 6.141 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.138 6.030 7.823 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.489 7.618 8.295 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.134 7.492 7.629 1.00 0.00 H new ATOM 936 N ALA A 59 -7.695 6.657 5.182 1.00 0.00 N ATOM 937 CA ALA A 59 -8.577 5.918 4.284 1.00 0.00 C ATOM 938 C ALA A 59 -8.366 6.298 2.820 1.00 0.00 C ATOM 939 O ALA A 59 -8.487 5.457 1.931 1.00 0.00 O ATOM 940 CB ALA A 59 -10.029 6.139 4.680 1.00 0.00 C ATOM 0 H ALA A 59 -8.174 7.315 5.797 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.328 4.861 4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.679 5.584 4.004 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -10.185 5.791 5.701 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.265 7.201 4.619 1.00 0.00 H new ATOM 946 N SER A 60 -8.050 7.564 2.575 1.00 0.00 N ATOM 947 CA SER A 60 -7.849 8.051 1.212 1.00 0.00 C ATOM 948 C SER A 60 -6.640 7.402 0.536 1.00 0.00 C ATOM 949 O SER A 60 -6.767 6.806 -0.533 1.00 0.00 O ATOM 950 CB SER A 60 -7.686 9.571 1.218 1.00 0.00 C ATOM 951 OG SER A 60 -6.567 9.960 1.995 1.00 0.00 O ATOM 0 H SER A 60 -7.927 8.272 3.299 1.00 0.00 H new ATOM 0 HA SER A 60 -8.733 7.776 0.636 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.566 9.931 0.196 1.00 0.00 H new ATOM 0 HB3 SER A 60 -8.588 10.035 1.616 1.00 0.00 H new ATOM 0 HG SER A 60 -6.789 10.765 2.508 1.00 0.00 H new ATOM 957 N ALA A 61 -5.473 7.519 1.161 1.00 0.00 N ATOM 958 CA ALA A 61 -4.243 6.960 0.599 1.00 0.00 C ATOM 959 C ALA A 61 -4.339 5.451 0.390 1.00 0.00 C ATOM 960 O ALA A 61 -3.914 4.936 -0.644 1.00 0.00 O ATOM 961 CB ALA A 61 -3.055 7.296 1.485 1.00 0.00 C ATOM 0 H ALA A 61 -5.350 7.994 2.055 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.099 7.415 -0.381 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.148 6.873 1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.951 8.378 1.559 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.213 6.878 2.479 1.00 0.00 H new ATOM 967 N VAL A 62 -4.891 4.743 1.370 1.00 0.00 N ATOM 968 CA VAL A 62 -5.024 3.292 1.278 1.00 0.00 C ATOM 969 C VAL A 62 -5.922 2.888 0.112 1.00 0.00 C ATOM 970 O VAL A 62 -5.737 1.830 -0.489 1.00 0.00 O ATOM 971 CB VAL A 62 -5.579 2.690 2.585 1.00 0.00 C ATOM 972 CG1 VAL A 62 -5.705 1.178 2.476 1.00 0.00 C ATOM 973 CG2 VAL A 62 -4.689 3.062 3.757 1.00 0.00 C ATOM 0 H VAL A 62 -5.252 5.147 2.234 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.023 2.896 1.107 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.573 3.103 2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.098 0.777 3.410 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.383 0.927 1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.724 0.744 2.280 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.093 2.630 4.672 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.684 2.677 3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.650 4.147 3.854 1.00 0.00 H new ATOM 983 N THR A 63 -6.895 3.737 -0.208 1.00 0.00 N ATOM 984 CA THR A 63 -7.817 3.461 -1.304 1.00 0.00 C ATOM 985 C THR A 63 -7.130 3.625 -2.657 1.00 0.00 C ATOM 986 O THR A 63 -7.238 2.761 -3.527 1.00 0.00 O ATOM 987 CB THR A 63 -9.052 4.382 -1.249 1.00 0.00 C ATOM 988 OG1 THR A 63 -9.753 4.189 -0.015 1.00 0.00 O ATOM 989 CG2 THR A 63 -9.991 4.107 -2.415 1.00 0.00 C ATOM 0 H THR A 63 -7.065 4.619 0.275 1.00 0.00 H new ATOM 0 HA THR A 63 -8.142 2.427 -1.189 1.00 0.00 H new ATOM 0 HB THR A 63 -8.707 5.414 -1.317 1.00 0.00 H new ATOM 0 HG1 THR A 63 -9.411 4.815 0.657 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.854 4.770 -2.352 1.00 0.00 H new ATOM 0 HG22 THR A 63 -9.466 4.283 -3.354 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.327 3.071 -2.375 1.00 0.00 H new ATOM 997 N LYS A 64 -6.425 4.739 -2.828 1.00 0.00 N ATOM 998 CA LYS A 64 -5.723 5.017 -4.077 1.00 0.00 C ATOM 999 C LYS A 64 -4.513 4.102 -4.240 1.00 0.00 C ATOM 1000 O LYS A 64 -4.067 3.842 -5.357 1.00 0.00 O ATOM 1001 CB LYS A 64 -5.274 6.478 -4.122 1.00 0.00 C ATOM 1002 CG LYS A 64 -4.287 6.842 -3.026 1.00 0.00 C ATOM 1003 CD LYS A 64 -3.317 7.913 -3.490 1.00 0.00 C ATOM 1004 CE LYS A 64 -2.273 8.218 -2.427 1.00 0.00 C ATOM 1005 NZ LYS A 64 -1.546 6.994 -1.998 1.00 0.00 N ATOM 0 H LYS A 64 -6.324 5.464 -2.118 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.414 4.828 -4.898 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.819 6.680 -5.092 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.150 7.122 -4.040 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.829 7.195 -2.148 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.733 5.954 -2.723 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.822 7.586 -4.404 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.867 8.822 -3.733 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.561 8.946 -2.816 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.757 8.675 -1.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.671 7.265 -1.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.148 6.440 -1.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.310 6.420 -2.833 1.00 0.00 H new ATOM 1019 N ALA A 65 -3.987 3.622 -3.117 1.00 0.00 N ATOM 1020 CA ALA A 65 -2.827 2.739 -3.130 1.00 0.00 C ATOM 1021 C ALA A 65 -3.088 1.508 -3.988 1.00 0.00 C ATOM 1022 O ALA A 65 -2.172 0.954 -4.596 1.00 0.00 O ATOM 1023 CB ALA A 65 -2.461 2.329 -1.712 1.00 0.00 C ATOM 0 H ALA A 65 -4.347 3.831 -2.186 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.989 3.284 -3.566 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.593 1.670 -1.736 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.226 3.217 -1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.301 1.806 -1.256 1.00 0.00 H new ATOM 1029 N ILE A 66 -4.348 1.089 -4.031 1.00 0.00 N ATOM 1030 CA ILE A 66 -4.742 -0.078 -4.810 1.00 0.00 C ATOM 1031 C ILE A 66 -4.602 0.181 -6.307 1.00 0.00 C ATOM 1032 O ILE A 66 -4.135 -0.680 -7.049 1.00 0.00 O ATOM 1033 CB ILE A 66 -6.200 -0.491 -4.502 1.00 0.00 C ATOM 1034 CG1 ILE A 66 -6.336 -0.942 -3.043 1.00 0.00 C ATOM 1035 CG2 ILE A 66 -6.661 -1.591 -5.449 1.00 0.00 C ATOM 1036 CD1 ILE A 66 -5.561 -2.203 -2.716 1.00 0.00 C ATOM 0 H ILE A 66 -5.115 1.542 -3.534 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.072 -0.889 -4.525 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.840 0.378 -4.654 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.995 -0.138 -2.391 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.390 -1.107 -2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.689 -1.866 -5.214 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.607 -1.232 -6.477 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.017 -2.463 -5.335 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.707 -2.458 -1.666 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.917 -3.022 -3.341 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.500 -2.037 -2.905 1.00 0.00 H new ATOM 1048 N ASN A 67 -4.999 1.374 -6.741 1.00 0.00 N ATOM 1049 CA ASN A 67 -4.936 1.739 -8.155 1.00 0.00 C ATOM 1050 C ASN A 67 -3.497 1.919 -8.638 1.00 0.00 C ATOM 1051 O ASN A 67 -3.167 1.558 -9.768 1.00 0.00 O ATOM 1052 CB ASN A 67 -5.727 3.025 -8.402 1.00 0.00 C ATOM 1053 CG ASN A 67 -7.171 2.910 -7.951 1.00 0.00 C ATOM 1054 OD1 ASN A 67 -7.497 3.186 -6.797 1.00 0.00 O ATOM 1055 ND2 ASN A 67 -8.045 2.501 -8.864 1.00 0.00 N ATOM 0 H ASN A 67 -5.368 2.106 -6.134 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.377 0.919 -8.722 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.249 3.850 -7.874 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.699 3.268 -9.464 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.031 2.405 -8.620 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.730 2.283 -9.809 1.00 0.00 H new ATOM 1062 N ILE A 68 -2.646 2.478 -7.785 1.00 0.00 N ATOM 1063 CA ILE A 68 -1.250 2.711 -8.144 1.00 0.00 C ATOM 1064 C ILE A 68 -0.447 1.411 -8.180 1.00 0.00 C ATOM 1065 O ILE A 68 0.306 1.164 -9.120 1.00 0.00 O ATOM 1066 CB ILE A 68 -0.572 3.689 -7.161 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.339 5.014 -7.116 1.00 0.00 C ATOM 1068 CG2 ILE A 68 0.881 3.923 -7.557 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.861 5.956 -6.032 1.00 0.00 C ATOM 0 H ILE A 68 -2.896 2.778 -6.843 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.260 3.148 -9.142 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.587 3.247 -6.165 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.248 5.510 -8.082 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.398 4.806 -6.963 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.343 4.615 -6.853 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.420 2.975 -7.541 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.921 4.346 -8.561 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.450 6.873 -6.061 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.978 5.480 -5.059 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.190 6.195 -6.195 1.00 0.00 H new ATOM 1081 N PHE A 69 -0.617 0.585 -7.154 1.00 0.00 N ATOM 1082 CA PHE A 69 0.108 -0.679 -7.054 1.00 0.00 C ATOM 1083 C PHE A 69 -0.377 -1.712 -8.071 1.00 0.00 C ATOM 1084 O PHE A 69 0.407 -2.534 -8.545 1.00 0.00 O ATOM 1085 CB PHE A 69 -0.024 -1.249 -5.640 1.00 0.00 C ATOM 1086 CG PHE A 69 0.607 -2.603 -5.474 1.00 0.00 C ATOM 1087 CD1 PHE A 69 1.982 -2.733 -5.356 1.00 0.00 C ATOM 1088 CD2 PHE A 69 -0.176 -3.746 -5.437 1.00 0.00 C ATOM 1089 CE1 PHE A 69 2.564 -3.977 -5.206 1.00 0.00 C ATOM 1090 CE2 PHE A 69 0.400 -4.992 -5.286 1.00 0.00 C ATOM 1091 CZ PHE A 69 1.772 -5.108 -5.170 1.00 0.00 C ATOM 0 H PHE A 69 -1.252 0.767 -6.377 1.00 0.00 H new ATOM 0 HA PHE A 69 1.154 -0.466 -7.275 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.433 -0.556 -4.934 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.081 -1.316 -5.382 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.606 -1.852 -5.382 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.249 -3.661 -5.527 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.637 -4.065 -5.117 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.221 -5.875 -5.259 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.224 -6.081 -5.051 1.00 0.00 H new ATOM 1101 N GLN A 70 -1.662 -1.674 -8.408 1.00 0.00 N ATOM 1102 CA GLN A 70 -2.223 -2.641 -9.347 1.00 0.00 C ATOM 1103 C GLN A 70 -1.704 -2.429 -10.773 1.00 0.00 C ATOM 1104 O GLN A 70 -1.055 -3.304 -11.343 1.00 0.00 O ATOM 1105 CB GLN A 70 -3.762 -2.602 -9.316 1.00 0.00 C ATOM 1106 CG GLN A 70 -4.384 -1.328 -9.866 1.00 0.00 C ATOM 1107 CD GLN A 70 -5.889 -1.293 -9.684 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -6.423 -1.858 -8.729 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -6.581 -0.627 -10.602 1.00 0.00 N ATOM 0 H GLN A 70 -2.330 -0.991 -8.049 1.00 0.00 H new ATOM 0 HA GLN A 70 -1.892 -3.629 -9.027 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.143 -3.450 -9.885 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.093 -2.735 -8.286 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.941 -0.466 -9.367 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.147 -1.240 -10.926 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.096 -0.174 -11.377 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.597 -0.569 -10.532 1.00 0.00 H new ATOM 1118 N LYS A 71 -1.961 -1.257 -11.329 1.00 0.00 N ATOM 1119 CA LYS A 71 -1.560 -0.944 -12.693 1.00 0.00 C ATOM 1120 C LYS A 71 -0.042 -0.927 -12.862 1.00 0.00 C ATOM 1121 O LYS A 71 0.457 -0.834 -13.984 1.00 0.00 O ATOM 1122 CB LYS A 71 -2.141 0.414 -13.099 1.00 0.00 C ATOM 1123 CG LYS A 71 -1.997 0.728 -14.581 1.00 0.00 C ATOM 1124 CD LYS A 71 -2.567 2.098 -14.923 1.00 0.00 C ATOM 1125 CE LYS A 71 -1.794 3.214 -14.236 1.00 0.00 C ATOM 1126 NZ LYS A 71 -0.354 3.208 -14.614 1.00 0.00 N ATOM 0 H LYS A 71 -2.450 -0.499 -10.853 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.950 -1.730 -13.339 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.198 0.440 -12.833 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.648 1.196 -12.522 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.944 0.692 -14.860 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.509 -0.036 -15.167 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.538 2.246 -16.003 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.614 2.142 -14.623 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.234 4.176 -14.500 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.886 3.107 -13.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.081 4.112 -14.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.130 2.428 -14.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.266 3.080 -15.642 1.00 0.00 H new ATOM 1140 N LEU A 72 0.698 -1.030 -11.762 1.00 0.00 N ATOM 1141 CA LEU A 72 2.153 -0.963 -11.846 1.00 0.00 C ATOM 1142 C LEU A 72 2.861 -2.313 -11.780 1.00 0.00 C ATOM 1143 O LEU A 72 3.816 -2.542 -12.522 1.00 0.00 O ATOM 1144 CB LEU A 72 2.664 -0.118 -10.690 1.00 0.00 C ATOM 1145 CG LEU A 72 3.121 1.292 -11.050 1.00 0.00 C ATOM 1146 CD1 LEU A 72 4.337 1.245 -11.962 1.00 0.00 C ATOM 1147 CD2 LEU A 72 1.989 2.077 -11.701 1.00 0.00 C ATOM 0 H LEU A 72 0.325 -1.157 -10.821 1.00 0.00 H new ATOM 0 HA LEU A 72 2.377 -0.537 -12.824 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.875 -0.044 -9.942 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.498 -0.642 -10.223 1.00 0.00 H new ATOM 0 HG LEU A 72 3.404 1.804 -10.130 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.647 2.261 -12.207 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.152 0.729 -11.455 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.084 0.712 -12.878 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.337 3.080 -11.949 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.669 1.568 -12.610 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.149 2.146 -11.010 1.00 0.00 H new ATOM 1159 N ASN A 73 2.410 -3.206 -10.909 1.00 0.00 N ATOM 1160 CA ASN A 73 3.079 -4.502 -10.782 1.00 0.00 C ATOM 1161 C ASN A 73 2.157 -5.703 -10.971 1.00 0.00 C ATOM 1162 O ASN A 73 2.448 -6.596 -11.767 1.00 0.00 O ATOM 1163 CB ASN A 73 3.760 -4.599 -9.416 1.00 0.00 C ATOM 1164 CG ASN A 73 4.771 -3.490 -9.188 1.00 0.00 C ATOM 1165 OD1 ASN A 73 5.423 -3.051 -10.259 1.00 0.00 O flip ATOM 1166 ND2 ASN A 73 4.969 -3.038 -8.061 1.00 0.00 N flip ATOM 0 H ASN A 73 1.608 -3.068 -10.294 1.00 0.00 H new ATOM 0 HA ASN A 73 3.809 -4.543 -11.591 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.003 -4.562 -8.633 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.259 -5.564 -9.331 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.446 -3.404 -7.266 1.00 0.00 H new ATOM 0 HD22 ASN A 73 5.656 -2.297 -7.922 1.00 0.00 H new ATOM 1173 N TYR A 74 1.048 -5.721 -10.243 1.00 0.00 N ATOM 1174 CA TYR A 74 0.130 -6.862 -10.292 1.00 0.00 C ATOM 1175 C TYR A 74 -1.339 -6.452 -10.324 1.00 0.00 C ATOM 1176 O TYR A 74 -2.089 -6.750 -9.394 1.00 0.00 O ATOM 1177 CB TYR A 74 0.390 -7.798 -9.110 1.00 0.00 C ATOM 1178 CG TYR A 74 1.703 -8.543 -9.216 1.00 0.00 C ATOM 1179 CD1 TYR A 74 1.790 -9.731 -9.931 1.00 0.00 C ATOM 1180 CD2 TYR A 74 2.853 -8.058 -8.607 1.00 0.00 C ATOM 1181 CE1 TYR A 74 2.987 -10.415 -10.035 1.00 0.00 C ATOM 1182 CE2 TYR A 74 4.053 -8.735 -8.707 1.00 0.00 C ATOM 1183 CZ TYR A 74 4.115 -9.913 -9.422 1.00 0.00 C ATOM 1184 OH TYR A 74 5.309 -10.590 -9.524 1.00 0.00 O ATOM 0 H TYR A 74 0.760 -4.969 -9.616 1.00 0.00 H new ATOM 0 HA TYR A 74 0.329 -7.382 -11.229 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.383 -7.218 -8.187 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.425 -8.519 -9.040 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.908 -10.127 -10.413 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.808 -7.136 -8.046 1.00 0.00 H new ATOM 0 HE1 TYR A 74 3.038 -11.338 -10.594 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.938 -8.344 -8.228 1.00 0.00 H new ATOM 0 HH TYR A 74 6.005 -10.102 -9.036 1.00 0.00 H new ATOM 1194 N MET A 75 -1.744 -5.758 -11.380 1.00 0.00 N ATOM 1195 CA MET A 75 -3.131 -5.315 -11.510 1.00 0.00 C ATOM 1196 C MET A 75 -4.106 -6.471 -11.294 1.00 0.00 C ATOM 1197 O MET A 75 -5.282 -6.253 -11.004 1.00 0.00 O ATOM 1198 CB MET A 75 -3.360 -4.692 -12.890 1.00 0.00 C ATOM 1199 CG MET A 75 -3.068 -5.638 -14.043 1.00 0.00 C ATOM 1200 SD MET A 75 -3.328 -4.872 -15.656 1.00 0.00 S ATOM 1201 CE MET A 75 -2.120 -3.551 -15.605 1.00 0.00 C ATOM 0 H MET A 75 -1.138 -5.490 -12.156 1.00 0.00 H new ATOM 0 HA MET A 75 -3.316 -4.566 -10.740 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.395 -4.356 -12.960 1.00 0.00 H new ATOM 0 HB3 MET A 75 -2.730 -3.808 -12.989 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.037 -5.984 -13.972 1.00 0.00 H new ATOM 0 HG3 MET A 75 -3.706 -6.518 -13.956 1.00 0.00 H new ATOM 0 HE1 MET A 75 -1.629 -3.470 -16.575 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.619 -2.611 -15.371 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.376 -3.768 -14.838 1.00 0.00 H new ATOM 1211 N HIS A 76 -3.613 -7.698 -11.434 1.00 0.00 N ATOM 1212 CA HIS A 76 -4.443 -8.883 -11.240 1.00 0.00 C ATOM 1213 C HIS A 76 -4.579 -9.224 -9.755 1.00 0.00 C ATOM 1214 O HIS A 76 -5.671 -9.538 -9.280 1.00 0.00 O ATOM 1215 CB HIS A 76 -3.854 -10.074 -11.996 1.00 0.00 C ATOM 1216 CG HIS A 76 -4.724 -11.292 -11.962 1.00 0.00 C ATOM 1217 ND1 HIS A 76 -5.783 -11.502 -12.816 1.00 0.00 N ATOM 1218 CD2 HIS A 76 -4.675 -12.381 -11.152 1.00 0.00 C ATOM 1219 CE1 HIS A 76 -6.334 -12.683 -12.505 1.00 0.00 C ATOM 1220 NE2 HIS A 76 -5.697 -13.257 -11.502 1.00 0.00 N ATOM 0 H HIS A 76 -2.644 -7.898 -11.681 1.00 0.00 H new ATOM 0 HA HIS A 76 -5.436 -8.665 -11.634 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -3.684 -9.787 -13.034 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -2.881 -10.320 -11.570 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.957 -12.541 -10.362 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -7.188 -13.110 -13.010 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.910 -14.157 -11.072 1.00 0.00 H new ATOM 1228 N ILE A 77 -3.464 -9.159 -9.030 1.00 0.00 N ATOM 1229 CA ILE A 77 -3.451 -9.474 -7.602 1.00 0.00 C ATOM 1230 C ILE A 77 -4.156 -8.399 -6.779 1.00 0.00 C ATOM 1231 O ILE A 77 -5.027 -8.703 -5.964 1.00 0.00 O ATOM 1232 CB ILE A 77 -2.004 -9.636 -7.083 1.00 0.00 C ATOM 1233 CG1 ILE A 77 -1.343 -10.856 -7.732 1.00 0.00 C ATOM 1234 CG2 ILE A 77 -1.983 -9.757 -5.563 1.00 0.00 C ATOM 1235 CD1 ILE A 77 0.086 -11.087 -7.284 1.00 0.00 C ATOM 0 H ILE A 77 -2.556 -8.890 -9.409 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.988 -10.415 -7.485 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.437 -8.746 -7.357 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.934 -11.743 -7.503 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.359 -10.733 -8.815 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.954 -9.870 -5.221 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.416 -8.860 -5.121 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.564 -10.628 -5.259 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.487 -11.968 -7.786 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.692 -10.217 -7.538 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.109 -11.242 -6.205 1.00 0.00 H new ATOM 1247 N ALA A 78 -3.779 -7.144 -6.999 1.00 0.00 N ATOM 1248 CA ALA A 78 -4.370 -6.028 -6.271 1.00 0.00 C ATOM 1249 C ALA A 78 -5.879 -5.966 -6.483 1.00 0.00 C ATOM 1250 O ALA A 78 -6.620 -5.531 -5.602 1.00 0.00 O ATOM 1251 CB ALA A 78 -3.720 -4.722 -6.693 1.00 0.00 C ATOM 0 H ALA A 78 -3.066 -6.874 -7.677 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.189 -6.185 -5.208 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.171 -3.897 -6.142 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.652 -4.761 -6.479 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.870 -4.569 -7.762 1.00 0.00 H new ATOM 1257 N ASN A 79 -6.325 -6.399 -7.659 1.00 0.00 N ATOM 1258 CA ASN A 79 -7.747 -6.397 -7.988 1.00 0.00 C ATOM 1259 C ASN A 79 -8.548 -7.120 -6.910 1.00 0.00 C ATOM 1260 O ASN A 79 -9.632 -6.681 -6.529 1.00 0.00 O ATOM 1261 CB ASN A 79 -7.974 -7.064 -9.347 1.00 0.00 C ATOM 1262 CG ASN A 79 -9.383 -6.863 -9.871 1.00 0.00 C ATOM 1263 OD1 ASN A 79 -10.343 -6.798 -9.105 1.00 0.00 O ATOM 1264 ND2 ASN A 79 -9.512 -6.759 -11.189 1.00 0.00 N ATOM 0 H ASN A 79 -5.722 -6.756 -8.400 1.00 0.00 H new ATOM 0 HA ASN A 79 -8.088 -5.363 -8.038 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.262 -6.662 -10.068 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.772 -8.132 -9.261 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -10.434 -6.620 -11.602 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -8.689 -6.819 -11.788 1.00 0.00 H new ATOM 1271 N ALA A 80 -8.011 -8.233 -6.428 1.00 0.00 N ATOM 1272 CA ALA A 80 -8.669 -9.018 -5.390 1.00 0.00 C ATOM 1273 C ALA A 80 -8.605 -8.317 -4.035 1.00 0.00 C ATOM 1274 O ALA A 80 -9.586 -8.289 -3.293 1.00 0.00 O ATOM 1275 CB ALA A 80 -8.040 -10.401 -5.301 1.00 0.00 C ATOM 0 H ALA A 80 -7.118 -8.614 -6.740 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.720 -9.121 -5.661 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.539 -10.978 -4.523 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.148 -10.912 -6.258 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.982 -10.304 -5.059 1.00 0.00 H new ATOM 1281 N LEU A 81 -7.442 -7.752 -3.725 1.00 0.00 N ATOM 1282 CA LEU A 81 -7.227 -7.056 -2.456 1.00 0.00 C ATOM 1283 C LEU A 81 -8.232 -5.922 -2.248 1.00 0.00 C ATOM 1284 O LEU A 81 -8.629 -5.639 -1.117 1.00 0.00 O ATOM 1285 CB LEU A 81 -5.799 -6.505 -2.388 1.00 0.00 C ATOM 1286 CG LEU A 81 -4.733 -7.504 -1.929 1.00 0.00 C ATOM 1287 CD1 LEU A 81 -4.649 -8.683 -2.887 1.00 0.00 C ATOM 1288 CD2 LEU A 81 -3.380 -6.819 -1.809 1.00 0.00 C ATOM 0 H LEU A 81 -6.627 -7.762 -4.339 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.376 -7.783 -1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.524 -6.133 -3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.789 -5.651 -1.711 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.020 -7.882 -0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.885 -9.379 -2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.613 -9.191 -2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.389 -8.325 -3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.634 -7.543 -1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.091 -6.412 -2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.445 -6.010 -1.081 1.00 0.00 H new ATOM 1300 N GLU A 82 -8.631 -5.274 -3.338 1.00 0.00 N ATOM 1301 CA GLU A 82 -9.578 -4.160 -3.271 1.00 0.00 C ATOM 1302 C GLU A 82 -10.835 -4.530 -2.481 1.00 0.00 C ATOM 1303 O GLU A 82 -11.519 -3.656 -1.952 1.00 0.00 O ATOM 1304 CB GLU A 82 -9.960 -3.692 -4.680 1.00 0.00 C ATOM 1305 CG GLU A 82 -11.140 -4.436 -5.283 1.00 0.00 C ATOM 1306 CD GLU A 82 -11.471 -3.964 -6.685 1.00 0.00 C ATOM 1307 OE1 GLU A 82 -10.873 -4.490 -7.646 1.00 0.00 O ATOM 1308 OE2 GLU A 82 -12.330 -3.068 -6.821 1.00 0.00 O ATOM 0 H GLU A 82 -8.314 -5.500 -4.281 1.00 0.00 H new ATOM 0 HA GLU A 82 -9.082 -3.344 -2.746 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.194 -2.628 -4.647 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.097 -3.808 -5.336 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.919 -5.503 -5.305 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.013 -4.305 -4.644 1.00 0.00 H new ATOM 1315 N GLU A 83 -11.141 -5.825 -2.415 1.00 0.00 N ATOM 1316 CA GLU A 83 -12.323 -6.296 -1.696 1.00 0.00 C ATOM 1317 C GLU A 83 -12.343 -5.780 -0.257 1.00 0.00 C ATOM 1318 O GLU A 83 -13.409 -5.528 0.305 1.00 0.00 O ATOM 1319 CB GLU A 83 -12.375 -7.827 -1.699 1.00 0.00 C ATOM 1320 CG GLU A 83 -11.319 -8.478 -0.818 1.00 0.00 C ATOM 1321 CD GLU A 83 -11.349 -9.991 -0.893 1.00 0.00 C ATOM 1322 OE1 GLU A 83 -10.702 -10.554 -1.802 1.00 0.00 O ATOM 1323 OE2 GLU A 83 -12.020 -10.614 -0.044 1.00 0.00 O ATOM 0 H GLU A 83 -10.589 -6.564 -2.849 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.200 -5.905 -2.211 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.362 -8.149 -1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.252 -8.184 -2.722 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.333 -8.123 -1.117 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.471 -8.166 0.215 1.00 0.00 H new ATOM 1330 N LYS A 84 -11.160 -5.631 0.334 1.00 0.00 N ATOM 1331 CA LYS A 84 -11.042 -5.144 1.706 1.00 0.00 C ATOM 1332 C LYS A 84 -11.745 -3.800 1.877 1.00 0.00 C ATOM 1333 O LYS A 84 -12.242 -3.483 2.957 1.00 0.00 O ATOM 1334 CB LYS A 84 -9.569 -5.010 2.099 1.00 0.00 C ATOM 1335 CG LYS A 84 -9.081 -6.107 3.031 1.00 0.00 C ATOM 1336 CD LYS A 84 -9.057 -7.463 2.342 1.00 0.00 C ATOM 1337 CE LYS A 84 -8.492 -8.539 3.255 1.00 0.00 C ATOM 1338 NZ LYS A 84 -9.290 -8.683 4.505 1.00 0.00 N ATOM 0 H LYS A 84 -10.269 -5.841 -0.116 1.00 0.00 H new ATOM 0 HA LYS A 84 -11.524 -5.871 2.359 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -8.959 -5.016 1.195 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.417 -4.044 2.580 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -8.080 -5.863 3.388 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.729 -6.155 3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.067 -7.736 2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -8.456 -7.401 1.435 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.473 -9.491 2.725 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.461 -8.295 3.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.991 -9.541 5.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.137 -7.852 5.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -10.300 -8.756 4.266 1.00 0.00 H new ATOM 1352 N LYS A 85 -11.778 -3.017 0.804 1.00 0.00 N ATOM 1353 CA LYS A 85 -12.413 -1.701 0.826 1.00 0.00 C ATOM 1354 C LYS A 85 -13.867 -1.795 1.288 1.00 0.00 C ATOM 1355 O LYS A 85 -14.364 -0.910 1.981 1.00 0.00 O ATOM 1356 CB LYS A 85 -12.345 -1.062 -0.562 1.00 0.00 C ATOM 1357 CG LYS A 85 -12.868 0.365 -0.608 1.00 0.00 C ATOM 1358 CD LYS A 85 -12.735 0.960 -2.000 1.00 0.00 C ATOM 1359 CE LYS A 85 -13.161 2.420 -2.027 1.00 0.00 C ATOM 1360 NZ LYS A 85 -13.015 3.017 -3.384 1.00 0.00 N ATOM 0 H LYS A 85 -11.371 -3.271 -0.096 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.872 -1.077 1.537 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.311 -1.071 -0.905 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.918 -1.672 -1.261 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -13.914 0.381 -0.302 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -12.318 0.979 0.106 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -11.701 0.876 -2.335 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -13.345 0.389 -2.700 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -14.199 2.501 -1.705 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.561 2.986 -1.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -13.251 4.029 -3.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -12.034 2.902 -3.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -13.658 2.537 -4.045 1.00 0.00 H new ATOM 1374 N LYS A 86 -14.542 -2.874 0.899 1.00 0.00 N ATOM 1375 CA LYS A 86 -15.938 -3.081 1.273 1.00 0.00 C ATOM 1376 C LYS A 86 -16.067 -3.409 2.759 1.00 0.00 C ATOM 1377 O LYS A 86 -17.035 -3.016 3.409 1.00 0.00 O ATOM 1378 CB LYS A 86 -16.558 -4.210 0.442 1.00 0.00 C ATOM 1379 CG LYS A 86 -16.897 -3.813 -0.987 1.00 0.00 C ATOM 1380 CD LYS A 86 -15.648 -3.602 -1.829 1.00 0.00 C ATOM 1381 CE LYS A 86 -15.995 -3.330 -3.283 1.00 0.00 C ATOM 1382 NZ LYS A 86 -16.836 -2.111 -3.436 1.00 0.00 N ATOM 0 H LYS A 86 -14.145 -3.618 0.325 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.474 -2.153 1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -15.867 -5.052 0.420 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.466 -4.555 0.937 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -17.515 -4.587 -1.442 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -17.488 -2.897 -0.979 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -15.075 -2.766 -1.428 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -15.012 -4.485 -1.765 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.077 -3.212 -3.859 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.523 -4.189 -3.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.910 -1.864 -4.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -17.786 -2.294 -3.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.401 -1.322 -2.917 1.00 0.00 H new ATOM 1396 N GLU A 87 -15.085 -4.132 3.286 1.00 0.00 N ATOM 1397 CA GLU A 87 -15.088 -4.521 4.692 1.00 0.00 C ATOM 1398 C GLU A 87 -14.699 -3.347 5.587 1.00 0.00 C ATOM 1399 O GLU A 87 -15.141 -3.254 6.732 1.00 0.00 O ATOM 1400 CB GLU A 87 -14.128 -5.691 4.914 1.00 0.00 C ATOM 1401 CG GLU A 87 -14.120 -6.212 6.341 1.00 0.00 C ATOM 1402 CD GLU A 87 -13.104 -7.318 6.551 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -13.455 -8.497 6.331 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -11.957 -7.006 6.936 1.00 0.00 O ATOM 0 H GLU A 87 -14.275 -4.461 2.760 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.099 -4.830 4.958 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -14.399 -6.505 4.241 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.119 -5.378 4.645 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.903 -5.390 7.023 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -15.113 -6.583 6.594 1.00 0.00 H new ATOM 1411 N ALA A 88 -13.869 -2.454 5.057 1.00 0.00 N ATOM 1412 CA ALA A 88 -13.418 -1.285 5.804 1.00 0.00 C ATOM 1413 C ALA A 88 -14.598 -0.431 6.257 1.00 0.00 C ATOM 1414 O ALA A 88 -14.523 0.256 7.275 1.00 0.00 O ATOM 1415 CB ALA A 88 -12.462 -0.458 4.958 1.00 0.00 C ATOM 0 H ALA A 88 -13.494 -2.518 4.110 1.00 0.00 H new ATOM 0 HA ALA A 88 -12.894 -1.634 6.694 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.132 0.412 5.526 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.597 -1.064 4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.970 -0.128 4.052 1.00 0.00 H new ATOM 1421 N GLU A 89 -15.686 -0.478 5.490 1.00 0.00 N ATOM 1422 CA GLU A 89 -16.884 0.293 5.804 1.00 0.00 C ATOM 1423 C GLU A 89 -17.332 0.058 7.244 1.00 0.00 C ATOM 1424 O GLU A 89 -17.497 1.005 8.014 1.00 0.00 O ATOM 1425 CB GLU A 89 -18.017 -0.072 4.843 1.00 0.00 C ATOM 1426 CG GLU A 89 -17.676 0.167 3.382 1.00 0.00 C ATOM 1427 CD GLU A 89 -18.817 -0.194 2.453 1.00 0.00 C ATOM 1428 OE1 GLU A 89 -18.908 -1.374 2.054 1.00 0.00 O ATOM 1429 OE2 GLU A 89 -19.620 0.704 2.123 1.00 0.00 O ATOM 0 H GLU A 89 -15.761 -1.044 4.645 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.640 1.349 5.689 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.274 -1.122 4.980 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -18.902 0.509 5.101 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -17.414 1.216 3.240 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -16.796 -0.420 3.117 1.00 0.00 H new ATOM 1436 N ARG A 90 -17.528 -1.207 7.601 1.00 0.00 N ATOM 1437 CA ARG A 90 -17.960 -1.560 8.948 1.00 0.00 C ATOM 1438 C ARG A 90 -16.818 -1.397 9.947 1.00 0.00 C ATOM 1439 O ARG A 90 -17.047 -1.267 11.151 1.00 0.00 O ATOM 1440 CB ARG A 90 -18.482 -2.999 8.983 1.00 0.00 C ATOM 1441 CG ARG A 90 -17.405 -4.047 8.752 1.00 0.00 C ATOM 1442 CD ARG A 90 -17.944 -5.453 8.958 1.00 0.00 C ATOM 1443 NE ARG A 90 -16.885 -6.458 8.913 1.00 0.00 N ATOM 1444 CZ ARG A 90 -17.105 -7.766 9.018 1.00 0.00 C ATOM 1445 NH1 ARG A 90 -18.343 -8.223 9.157 1.00 0.00 N ATOM 1446 NH2 ARG A 90 -16.089 -8.617 8.982 1.00 0.00 N ATOM 0 H ARG A 90 -17.395 -2.003 6.978 1.00 0.00 H new ATOM 0 HA ARG A 90 -18.766 -0.883 9.230 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -18.953 -3.182 9.949 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -19.256 -3.114 8.224 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -17.013 -3.951 7.739 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -16.573 -3.872 9.434 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -18.455 -5.508 9.919 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -18.685 -5.673 8.190 1.00 0.00 H new ATOM 0 HE ARG A 90 -15.923 -6.139 8.794 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -19.127 -7.571 9.183 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -18.510 -9.226 9.237 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -15.136 -8.269 8.874 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -16.260 -9.619 9.063 1.00 0.00 H new ATOM 1460 N LYS A 91 -15.588 -1.404 9.442 1.00 0.00 N ATOM 1461 CA LYS A 91 -14.411 -1.260 10.292 1.00 0.00 C ATOM 1462 C LYS A 91 -14.119 0.208 10.588 1.00 0.00 C ATOM 1463 O LYS A 91 -13.267 0.523 11.419 1.00 0.00 O ATOM 1464 CB LYS A 91 -13.196 -1.915 9.631 1.00 0.00 C ATOM 1465 CG LYS A 91 -13.348 -3.415 9.431 1.00 0.00 C ATOM 1466 CD LYS A 91 -12.136 -4.020 8.738 1.00 0.00 C ATOM 1467 CE LYS A 91 -10.891 -3.938 9.608 1.00 0.00 C ATOM 1468 NZ LYS A 91 -9.750 -4.691 9.016 1.00 0.00 N ATOM 0 H LYS A 91 -15.381 -1.508 8.449 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.617 -1.762 11.238 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.021 -1.444 8.664 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -12.314 -1.726 10.243 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.492 -3.898 10.398 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.242 -3.614 8.839 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.340 -5.062 8.492 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.957 -3.500 7.797 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.608 -2.894 9.739 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.113 -4.335 10.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.921 -4.611 9.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.011 -5.693 8.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.521 -4.296 8.082 1.00 0.00 H new ATOM 1482 N LEU A 92 -14.826 1.101 9.903 1.00 0.00 N ATOM 1483 CA LEU A 92 -14.643 2.535 10.103 1.00 0.00 C ATOM 1484 C LEU A 92 -15.915 3.174 10.649 1.00 0.00 C ATOM 1485 O LEU A 92 -15.962 4.380 10.891 1.00 0.00 O ATOM 1486 CB LEU A 92 -14.234 3.210 8.790 1.00 0.00 C ATOM 1487 CG LEU A 92 -12.848 2.828 8.266 1.00 0.00 C ATOM 1488 CD1 LEU A 92 -12.584 3.488 6.921 1.00 0.00 C ATOM 1489 CD2 LEU A 92 -11.772 3.216 9.269 1.00 0.00 C ATOM 0 H LEU A 92 -15.530 0.858 9.206 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.847 2.676 10.834 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.974 2.964 8.028 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -14.267 4.291 8.930 1.00 0.00 H new ATOM 0 HG LEU A 92 -12.819 1.747 8.130 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.594 3.204 6.565 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -13.335 3.162 6.202 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.633 4.571 7.031 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.793 2.937 8.879 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.802 4.293 9.437 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -11.949 2.697 10.211 1.00 0.00 H new