USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=24 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 158:sc= -1.14 (180deg=-2.12) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc=0.000427 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 166:sc= -0.0945 (180deg=-0.611) USER MOD Single : A 12 THR OG1 : rot 49:sc= 1.17 USER MOD Single : A 16 HIS : no HD1:sc= -0.0381 K(o=-0.038,f=-0.71) USER MOD Single : A 18 THR OG1 : rot -176:sc= -0.421 USER MOD Single : A 23 LYS NZ :NH3+ 163:sc= -0.0531 (180deg=-0.332) USER MOD Single : A 26 LYS NZ :NH3+ 172:sc= -2.06 (180deg=-2.3) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0901 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.0383 F(o=-1.4!,f=-0.038) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -59:sc= 1.29 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.284 USER MOD Single : A 51 HIS : no HD1:sc= -0.626 K(o=-0.63,f=-3.4!) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 55 SER OG : rot -77:sc= 0.802 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 104:sc= 1.23 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 70 GLN : amide:sc= -0.739 K(o=-0.74,f=-2.4) USER MOD Single : A 71 LYS NZ :NH3+ -168:sc= -0.0257 (180deg=-0.225) USER MOD Single : A 73 ASN : amide:sc= -2.65! C(o=-2.7!,f=-4.5!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 163:sc= -0.108 (180deg=-0.763) USER MOD Single : A 76 HIS : no HD1:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 84 LYS NZ :NH3+ -109:sc= -0.259 (180deg=-3.57!) USER MOD Single : A 85 LYS NZ :NH3+ -165:sc= -0.0441 (180deg=-0.304) USER MOD Single : A 86 LYS NZ :NH3+ 167:sc= -0.0504 (180deg=-0.258) USER MOD Single : A 91 LYS NZ :NH3+ 165:sc= -0.0682 (180deg=-0.349) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.187 -1.492 14.156 1.00 0.00 N ATOM 2 CA MET A 1 -8.057 -0.529 14.119 1.00 0.00 C ATOM 3 C MET A 1 -7.663 -0.210 12.682 1.00 0.00 C ATOM 4 O MET A 1 -7.311 -1.104 11.911 1.00 0.00 O ATOM 5 CB MET A 1 -6.852 -1.101 14.871 1.00 0.00 C ATOM 6 CG MET A 1 -5.712 -0.108 15.035 1.00 0.00 C ATOM 7 SD MET A 1 -4.309 -0.801 15.931 1.00 0.00 S ATOM 8 CE MET A 1 -3.800 -2.103 14.811 1.00 0.00 C ATOM 0 H1 MET A 1 -9.438 -1.695 15.145 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.008 -1.082 13.667 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.907 -2.374 13.682 1.00 0.00 H new ATOM 0 HA MET A 1 -8.380 0.393 14.603 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.175 -1.437 15.856 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.485 -1.979 14.339 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.381 0.225 14.051 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.076 0.773 15.564 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.758 -2.360 15.002 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.425 -2.982 14.967 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.906 -1.760 13.782 1.00 0.00 H new ATOM 20 N GLU A 2 -7.727 1.068 12.326 1.00 0.00 N ATOM 21 CA GLU A 2 -7.374 1.506 10.981 1.00 0.00 C ATOM 22 C GLU A 2 -5.909 1.212 10.680 1.00 0.00 C ATOM 23 O GLU A 2 -5.535 0.989 9.527 1.00 0.00 O ATOM 24 CB GLU A 2 -7.655 3.001 10.817 1.00 0.00 C ATOM 25 CG GLU A 2 -6.892 3.879 11.796 1.00 0.00 C ATOM 26 CD GLU A 2 -7.201 5.353 11.617 1.00 0.00 C ATOM 27 OE1 GLU A 2 -6.523 6.007 10.795 1.00 0.00 O ATOM 28 OE2 GLU A 2 -8.120 5.854 12.298 1.00 0.00 O ATOM 0 H GLU A 2 -8.020 1.819 12.951 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.988 0.951 10.272 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.400 3.300 9.800 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.723 3.176 10.942 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.139 3.581 12.815 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.822 3.717 11.666 1.00 0.00 H new ATOM 35 N SER A 3 -5.082 1.214 11.722 1.00 0.00 N ATOM 36 CA SER A 3 -3.657 0.948 11.566 1.00 0.00 C ATOM 37 C SER A 3 -3.423 -0.449 10.999 1.00 0.00 C ATOM 38 O SER A 3 -2.454 -0.682 10.278 1.00 0.00 O ATOM 39 CB SER A 3 -2.939 1.094 12.909 1.00 0.00 C ATOM 40 OG SER A 3 -3.085 2.407 13.426 1.00 0.00 O ATOM 0 H SER A 3 -5.375 1.397 12.682 1.00 0.00 H new ATOM 0 HA SER A 3 -3.251 1.677 10.865 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.342 0.373 13.620 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.881 0.864 12.786 1.00 0.00 H new ATOM 0 HG SER A 3 -2.619 2.474 14.285 1.00 0.00 H new ATOM 46 N GLU A 4 -4.316 -1.375 11.334 1.00 0.00 N ATOM 47 CA GLU A 4 -4.211 -2.747 10.857 1.00 0.00 C ATOM 48 C GLU A 4 -4.635 -2.843 9.393 1.00 0.00 C ATOM 49 O GLU A 4 -4.146 -3.693 8.648 1.00 0.00 O ATOM 50 CB GLU A 4 -5.072 -3.675 11.718 1.00 0.00 C ATOM 51 CG GLU A 4 -4.892 -5.151 11.396 1.00 0.00 C ATOM 52 CD GLU A 4 -5.697 -6.048 12.316 1.00 0.00 C ATOM 53 OE1 GLU A 4 -5.181 -6.404 13.397 1.00 0.00 O ATOM 54 OE2 GLU A 4 -6.841 -6.397 11.956 1.00 0.00 O ATOM 0 H GLU A 4 -5.121 -1.198 11.935 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.169 -3.059 10.935 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.831 -3.509 12.768 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.121 -3.409 11.586 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.190 -5.333 10.364 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.836 -5.410 11.473 1.00 0.00 H new ATOM 61 N TYR A 5 -5.546 -1.961 8.990 1.00 0.00 N ATOM 62 CA TYR A 5 -6.044 -1.940 7.618 1.00 0.00 C ATOM 63 C TYR A 5 -4.986 -1.415 6.651 1.00 0.00 C ATOM 64 O TYR A 5 -4.820 -1.944 5.555 1.00 0.00 O ATOM 65 CB TYR A 5 -7.308 -1.079 7.527 1.00 0.00 C ATOM 66 CG TYR A 5 -7.853 -0.936 6.122 1.00 0.00 C ATOM 67 CD1 TYR A 5 -8.335 -2.039 5.426 1.00 0.00 C ATOM 68 CD2 TYR A 5 -7.886 0.302 5.493 1.00 0.00 C ATOM 69 CE1 TYR A 5 -8.834 -1.911 4.144 1.00 0.00 C ATOM 70 CE2 TYR A 5 -8.383 0.438 4.211 1.00 0.00 C ATOM 71 CZ TYR A 5 -8.856 -0.671 3.541 1.00 0.00 C ATOM 72 OH TYR A 5 -9.351 -0.538 2.265 1.00 0.00 O ATOM 0 H TYR A 5 -5.955 -1.250 9.596 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.284 -2.965 7.334 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -8.079 -1.515 8.163 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.090 -0.088 7.924 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -8.319 -3.012 5.895 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.517 1.173 6.015 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -9.205 -2.778 3.617 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -8.401 1.408 3.736 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.296 0.401 1.989 1.00 0.00 H new ATOM 82 N ARG A 6 -4.270 -0.374 7.062 1.00 0.00 N ATOM 83 CA ARG A 6 -3.233 0.219 6.222 1.00 0.00 C ATOM 84 C ARG A 6 -1.974 -0.644 6.196 1.00 0.00 C ATOM 85 O ARG A 6 -1.296 -0.735 5.174 1.00 0.00 O ATOM 86 CB ARG A 6 -2.889 1.626 6.713 1.00 0.00 C ATOM 87 CG ARG A 6 -2.452 1.675 8.169 1.00 0.00 C ATOM 88 CD ARG A 6 -2.059 3.083 8.586 1.00 0.00 C ATOM 89 NE ARG A 6 -1.721 3.158 10.006 1.00 0.00 N ATOM 90 CZ ARG A 6 -1.391 4.285 10.628 1.00 0.00 C ATOM 91 NH1 ARG A 6 -1.348 5.430 9.959 1.00 0.00 N ATOM 92 NH2 ARG A 6 -1.105 4.268 11.922 1.00 0.00 N ATOM 0 H ARG A 6 -4.387 0.077 7.970 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.625 0.278 5.207 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.093 2.034 6.090 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.759 2.270 6.582 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.262 1.319 8.805 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.609 1.001 8.320 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.206 3.412 7.992 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.880 3.767 8.372 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.739 2.296 10.551 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.569 5.448 8.963 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -1.094 6.293 10.440 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -1.138 3.390 12.440 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.852 5.133 12.400 1.00 0.00 H new ATOM 106 N GLU A 7 -1.667 -1.274 7.322 1.00 0.00 N ATOM 107 CA GLU A 7 -0.480 -2.117 7.426 1.00 0.00 C ATOM 108 C GLU A 7 -0.642 -3.418 6.640 1.00 0.00 C ATOM 109 O GLU A 7 0.205 -3.763 5.818 1.00 0.00 O ATOM 110 CB GLU A 7 -0.186 -2.432 8.893 1.00 0.00 C ATOM 111 CG GLU A 7 1.055 -3.286 9.097 1.00 0.00 C ATOM 112 CD GLU A 7 1.323 -3.590 10.558 1.00 0.00 C ATOM 113 OE1 GLU A 7 0.805 -4.612 11.056 1.00 0.00 O ATOM 114 OE2 GLU A 7 2.054 -2.809 11.202 1.00 0.00 O ATOM 0 H GLU A 7 -2.222 -1.218 8.176 1.00 0.00 H new ATOM 0 HA GLU A 7 0.356 -1.565 6.996 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.067 -1.497 9.440 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.045 -2.946 9.324 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.941 -4.222 8.551 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.918 -2.773 8.673 1.00 0.00 H new ATOM 121 N MET A 8 -1.735 -4.128 6.898 1.00 0.00 N ATOM 122 CA MET A 8 -2.001 -5.404 6.237 1.00 0.00 C ATOM 123 C MET A 8 -2.237 -5.241 4.737 1.00 0.00 C ATOM 124 O MET A 8 -1.630 -5.942 3.929 1.00 0.00 O ATOM 125 CB MET A 8 -3.215 -6.080 6.881 1.00 0.00 C ATOM 126 CG MET A 8 -3.643 -7.364 6.187 1.00 0.00 C ATOM 127 SD MET A 8 -4.974 -8.217 7.057 1.00 0.00 S ATOM 128 CE MET A 8 -6.231 -6.940 7.097 1.00 0.00 C ATOM 0 H MET A 8 -2.454 -3.842 7.562 1.00 0.00 H new ATOM 0 HA MET A 8 -1.116 -6.027 6.364 1.00 0.00 H new ATOM 0 HB2 MET A 8 -2.986 -6.301 7.924 1.00 0.00 H new ATOM 0 HB3 MET A 8 -4.051 -5.381 6.880 1.00 0.00 H new ATOM 0 HG2 MET A 8 -3.968 -7.133 5.172 1.00 0.00 H new ATOM 0 HG3 MET A 8 -2.784 -8.030 6.103 1.00 0.00 H new ATOM 0 HE1 MET A 8 -7.189 -7.381 7.373 1.00 0.00 H new ATOM 0 HE2 MET A 8 -5.956 -6.181 7.830 1.00 0.00 H new ATOM 0 HE3 MET A 8 -6.314 -6.480 6.112 1.00 0.00 H new ATOM 138 N LEU A 9 -3.116 -4.316 4.371 1.00 0.00 N ATOM 139 CA LEU A 9 -3.448 -4.087 2.966 1.00 0.00 C ATOM 140 C LEU A 9 -2.210 -3.768 2.129 1.00 0.00 C ATOM 141 O LEU A 9 -2.123 -4.164 0.967 1.00 0.00 O ATOM 142 CB LEU A 9 -4.468 -2.952 2.845 1.00 0.00 C ATOM 143 CG LEU A 9 -4.960 -2.664 1.424 1.00 0.00 C ATOM 144 CD1 LEU A 9 -6.401 -2.180 1.450 1.00 0.00 C ATOM 145 CD2 LEU A 9 -4.067 -1.633 0.750 1.00 0.00 C ATOM 0 H LEU A 9 -3.613 -3.712 5.025 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.879 -5.010 2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.329 -3.192 3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.025 -2.042 3.250 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.915 -3.589 0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.736 -1.980 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.034 -2.947 1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.467 -1.266 2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.431 -1.440 -0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.083 -0.707 1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.046 -2.012 0.701 1.00 0.00 H new ATOM 157 N LEU A 10 -1.253 -3.061 2.718 1.00 0.00 N ATOM 158 CA LEU A 10 -0.039 -2.687 2.000 1.00 0.00 C ATOM 159 C LEU A 10 0.969 -3.832 1.936 1.00 0.00 C ATOM 160 O LEU A 10 1.387 -4.232 0.850 1.00 0.00 O ATOM 161 CB LEU A 10 0.604 -1.456 2.644 1.00 0.00 C ATOM 162 CG LEU A 10 0.154 -0.109 2.068 1.00 0.00 C ATOM 163 CD1 LEU A 10 0.531 0.000 0.599 1.00 0.00 C ATOM 164 CD2 LEU A 10 -1.346 0.084 2.247 1.00 0.00 C ATOM 0 H LEU A 10 -1.292 -2.737 3.684 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.331 -2.450 0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.385 -1.468 3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.686 -1.534 2.540 1.00 0.00 H new ATOM 0 HG LEU A 10 0.668 0.680 2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.202 0.964 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.613 -0.084 0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.048 -0.801 0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.641 1.047 1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.880 -0.714 1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.592 0.057 3.308 1.00 0.00 H new ATOM 176 N LEU A 11 1.354 -4.363 3.094 1.00 0.00 N ATOM 177 CA LEU A 11 2.330 -5.450 3.150 1.00 0.00 C ATOM 178 C LEU A 11 1.930 -6.616 2.248 1.00 0.00 C ATOM 179 O LEU A 11 2.779 -7.398 1.822 1.00 0.00 O ATOM 180 CB LEU A 11 2.525 -5.930 4.594 1.00 0.00 C ATOM 181 CG LEU A 11 1.295 -6.545 5.272 1.00 0.00 C ATOM 182 CD1 LEU A 11 1.106 -7.997 4.854 1.00 0.00 C ATOM 183 CD2 LEU A 11 1.423 -6.444 6.784 1.00 0.00 C ATOM 0 H LEU A 11 1.007 -4.060 4.004 1.00 0.00 H new ATOM 0 HA LEU A 11 3.277 -5.057 2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.328 -6.668 4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.861 -5.084 5.194 1.00 0.00 H new ATOM 0 HG LEU A 11 0.416 -5.985 4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.226 -8.407 5.350 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.971 -8.050 3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.985 -8.575 5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.543 -6.884 7.254 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.315 -6.979 7.110 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.503 -5.396 7.073 1.00 0.00 H new ATOM 195 N THR A 12 0.637 -6.731 1.963 1.00 0.00 N ATOM 196 CA THR A 12 0.134 -7.807 1.115 1.00 0.00 C ATOM 197 C THR A 12 0.828 -7.815 -0.245 1.00 0.00 C ATOM 198 O THR A 12 1.066 -8.875 -0.824 1.00 0.00 O ATOM 199 CB THR A 12 -1.388 -7.691 0.901 1.00 0.00 C ATOM 200 OG1 THR A 12 -2.067 -7.796 2.158 1.00 0.00 O ATOM 201 CG2 THR A 12 -1.892 -8.776 -0.040 1.00 0.00 C ATOM 0 H THR A 12 -0.081 -6.093 2.306 1.00 0.00 H new ATOM 0 HA THR A 12 0.352 -8.741 1.634 1.00 0.00 H new ATOM 0 HB THR A 12 -1.594 -6.719 0.452 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.647 -7.195 2.808 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.969 -8.671 -0.173 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.396 -8.680 -1.006 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.673 -9.756 0.384 1.00 0.00 H new ATOM 209 N GLY A 13 1.152 -6.629 -0.748 1.00 0.00 N ATOM 210 CA GLY A 13 1.809 -6.526 -2.038 1.00 0.00 C ATOM 211 C GLY A 13 3.322 -6.454 -1.931 1.00 0.00 C ATOM 212 O GLY A 13 4.030 -7.133 -2.673 1.00 0.00 O ATOM 0 H GLY A 13 0.972 -5.738 -0.286 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.534 -7.386 -2.649 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.444 -5.638 -2.555 1.00 0.00 H new ATOM 216 N LEU A 14 3.822 -5.635 -1.006 1.00 0.00 N ATOM 217 CA LEU A 14 5.265 -5.487 -0.822 1.00 0.00 C ATOM 218 C LEU A 14 5.922 -6.827 -0.496 1.00 0.00 C ATOM 219 O LEU A 14 6.974 -7.161 -1.042 1.00 0.00 O ATOM 220 CB LEU A 14 5.576 -4.480 0.296 1.00 0.00 C ATOM 221 CG LEU A 14 5.283 -3.006 -0.018 1.00 0.00 C ATOM 222 CD1 LEU A 14 5.808 -2.623 -1.394 1.00 0.00 C ATOM 223 CD2 LEU A 14 3.792 -2.722 0.082 1.00 0.00 C ATOM 0 H LEU A 14 3.254 -5.068 -0.377 1.00 0.00 H new ATOM 0 HA LEU A 14 5.673 -5.115 -1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.004 -4.762 1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.631 -4.572 0.556 1.00 0.00 H new ATOM 0 HG LEU A 14 5.802 -2.397 0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.586 -1.574 -1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.886 -2.778 -1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.328 -3.242 -2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.606 -1.672 -0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.254 -3.348 -0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.447 -2.942 1.092 1.00 0.00 H new ATOM 235 N ASP A 15 5.295 -7.590 0.395 1.00 0.00 N ATOM 236 CA ASP A 15 5.821 -8.891 0.802 1.00 0.00 C ATOM 237 C ASP A 15 5.492 -9.971 -0.224 1.00 0.00 C ATOM 238 O ASP A 15 5.687 -11.159 0.032 1.00 0.00 O ATOM 239 CB ASP A 15 5.257 -9.285 2.168 1.00 0.00 C ATOM 240 CG ASP A 15 5.728 -8.364 3.276 1.00 0.00 C ATOM 241 OD1 ASP A 15 5.098 -7.306 3.477 1.00 0.00 O ATOM 242 OD2 ASP A 15 6.727 -8.704 3.945 1.00 0.00 O ATOM 0 H ASP A 15 4.420 -7.330 0.850 1.00 0.00 H new ATOM 0 HA ASP A 15 6.906 -8.805 0.869 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.168 -9.271 2.126 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.554 -10.308 2.399 1.00 0.00 H new ATOM 247 N HIS A 16 4.997 -9.555 -1.383 1.00 0.00 N ATOM 248 CA HIS A 16 4.640 -10.494 -2.442 1.00 0.00 C ATOM 249 C HIS A 16 5.391 -10.174 -3.732 1.00 0.00 C ATOM 250 O HIS A 16 5.557 -11.035 -4.596 1.00 0.00 O ATOM 251 CB HIS A 16 3.130 -10.458 -2.691 1.00 0.00 C ATOM 252 CG HIS A 16 2.656 -11.491 -3.665 1.00 0.00 C ATOM 253 ND1 HIS A 16 2.246 -12.755 -3.303 1.00 0.00 N ATOM 254 CD2 HIS A 16 2.527 -11.428 -5.015 1.00 0.00 C ATOM 255 CE1 HIS A 16 1.888 -13.407 -4.417 1.00 0.00 C ATOM 256 NE2 HIS A 16 2.040 -12.646 -5.484 1.00 0.00 N ATOM 0 H HIS A 16 4.833 -8.575 -1.615 1.00 0.00 H new ATOM 0 HA HIS A 16 4.925 -11.495 -2.120 1.00 0.00 H new ATOM 0 HB2 HIS A 16 2.611 -10.600 -1.743 1.00 0.00 H new ATOM 0 HB3 HIS A 16 2.855 -9.470 -3.060 1.00 0.00 H new ATOM 0 HD2 HIS A 16 2.764 -10.571 -5.627 1.00 0.00 H new ATOM 0 HE1 HIS A 16 1.523 -14.423 -4.439 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.842 -12.898 -6.452 1.00 0.00 H new ATOM 264 N ILE A 17 5.849 -8.932 -3.851 1.00 0.00 N ATOM 265 CA ILE A 17 6.578 -8.495 -5.036 1.00 0.00 C ATOM 266 C ILE A 17 8.084 -8.634 -4.845 1.00 0.00 C ATOM 267 O ILE A 17 8.555 -8.975 -3.760 1.00 0.00 O ATOM 268 CB ILE A 17 6.247 -7.032 -5.387 1.00 0.00 C ATOM 269 CG1 ILE A 17 6.643 -6.106 -4.234 1.00 0.00 C ATOM 270 CG2 ILE A 17 4.764 -6.890 -5.709 1.00 0.00 C ATOM 271 CD1 ILE A 17 6.482 -4.634 -4.552 1.00 0.00 C ATOM 0 H ILE A 17 5.728 -8.210 -3.141 1.00 0.00 H new ATOM 0 HA ILE A 17 6.263 -9.140 -5.856 1.00 0.00 H new ATOM 0 HB ILE A 17 6.819 -6.744 -6.269 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.037 -6.348 -3.361 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.682 -6.299 -3.965 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.543 -5.851 -5.955 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.514 -7.526 -6.558 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.173 -7.191 -4.844 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.782 -4.040 -3.688 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.109 -4.375 -5.405 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.439 -4.425 -4.792 1.00 0.00 H new ATOM 283 N THR A 18 8.834 -8.365 -5.911 1.00 0.00 N ATOM 284 CA THR A 18 10.288 -8.455 -5.869 1.00 0.00 C ATOM 285 C THR A 18 10.913 -7.118 -5.486 1.00 0.00 C ATOM 286 O THR A 18 10.207 -6.135 -5.256 1.00 0.00 O ATOM 287 CB THR A 18 10.860 -8.909 -7.225 1.00 0.00 C ATOM 288 OG1 THR A 18 10.334 -8.090 -8.276 1.00 0.00 O ATOM 289 CG2 THR A 18 10.525 -10.369 -7.495 1.00 0.00 C ATOM 0 H THR A 18 8.456 -8.083 -6.815 1.00 0.00 H new ATOM 0 HA THR A 18 10.537 -9.197 -5.111 1.00 0.00 H new ATOM 0 HB THR A 18 11.944 -8.804 -7.190 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.653 -8.423 -9.141 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.940 -10.665 -8.458 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.952 -10.992 -6.709 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.443 -10.497 -7.511 1.00 0.00 H new ATOM 297 N GLU A 19 12.241 -7.088 -5.420 1.00 0.00 N ATOM 298 CA GLU A 19 12.964 -5.872 -5.060 1.00 0.00 C ATOM 299 C GLU A 19 12.844 -4.814 -6.154 1.00 0.00 C ATOM 300 O GLU A 19 12.692 -3.626 -5.865 1.00 0.00 O ATOM 301 CB GLU A 19 14.439 -6.185 -4.796 1.00 0.00 C ATOM 302 CG GLU A 19 14.667 -7.097 -3.601 1.00 0.00 C ATOM 303 CD GLU A 19 14.188 -8.515 -3.846 1.00 0.00 C ATOM 304 OE1 GLU A 19 14.956 -9.308 -4.431 1.00 0.00 O ATOM 305 OE2 GLU A 19 13.045 -8.832 -3.454 1.00 0.00 O ATOM 0 H GLU A 19 12.839 -7.892 -5.611 1.00 0.00 H new ATOM 0 HA GLU A 19 12.515 -5.475 -4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.867 -6.651 -5.684 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.976 -5.250 -4.636 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.730 -7.114 -3.360 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.149 -6.688 -2.733 1.00 0.00 H new ATOM 312 N GLU A 20 12.914 -5.249 -7.409 1.00 0.00 N ATOM 313 CA GLU A 20 12.814 -4.335 -8.541 1.00 0.00 C ATOM 314 C GLU A 20 11.471 -3.609 -8.540 1.00 0.00 C ATOM 315 O GLU A 20 11.415 -2.392 -8.723 1.00 0.00 O ATOM 316 CB GLU A 20 13.007 -5.092 -9.858 1.00 0.00 C ATOM 317 CG GLU A 20 12.067 -6.275 -10.027 1.00 0.00 C ATOM 318 CD GLU A 20 12.276 -7.001 -11.341 1.00 0.00 C ATOM 319 OE1 GLU A 20 13.106 -7.934 -11.379 1.00 0.00 O ATOM 320 OE2 GLU A 20 11.609 -6.637 -12.332 1.00 0.00 O ATOM 0 H GLU A 20 13.039 -6.228 -7.667 1.00 0.00 H new ATOM 0 HA GLU A 20 13.604 -3.590 -8.445 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.860 -4.401 -10.688 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.036 -5.446 -9.916 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.215 -6.973 -9.203 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.036 -5.927 -9.968 1.00 0.00 H new ATOM 327 N GLU A 21 10.393 -4.360 -8.334 1.00 0.00 N ATOM 328 CA GLU A 21 9.056 -3.780 -8.300 1.00 0.00 C ATOM 329 C GLU A 21 8.875 -2.943 -7.041 1.00 0.00 C ATOM 330 O GLU A 21 8.101 -1.986 -7.021 1.00 0.00 O ATOM 331 CB GLU A 21 7.993 -4.879 -8.356 1.00 0.00 C ATOM 332 CG GLU A 21 8.125 -5.795 -9.562 1.00 0.00 C ATOM 333 CD GLU A 21 8.074 -5.043 -10.877 1.00 0.00 C ATOM 334 OE1 GLU A 21 6.959 -4.706 -11.326 1.00 0.00 O ATOM 335 OE2 GLU A 21 9.151 -4.791 -11.459 1.00 0.00 O ATOM 0 H GLU A 21 10.420 -5.369 -8.188 1.00 0.00 H new ATOM 0 HA GLU A 21 8.938 -3.136 -9.172 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.054 -5.478 -7.447 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.006 -4.417 -8.368 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.066 -6.341 -9.497 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.325 -6.535 -9.540 1.00 0.00 H new ATOM 342 N LEU A 22 9.597 -3.318 -5.990 1.00 0.00 N ATOM 343 CA LEU A 22 9.536 -2.608 -4.719 1.00 0.00 C ATOM 344 C LEU A 22 10.174 -1.228 -4.847 1.00 0.00 C ATOM 345 O LEU A 22 9.753 -0.274 -4.191 1.00 0.00 O ATOM 346 CB LEU A 22 10.245 -3.424 -3.632 1.00 0.00 C ATOM 347 CG LEU A 22 10.522 -2.685 -2.320 1.00 0.00 C ATOM 348 CD1 LEU A 22 9.222 -2.278 -1.646 1.00 0.00 C ATOM 349 CD2 LEU A 22 11.356 -3.553 -1.388 1.00 0.00 C ATOM 0 H LEU A 22 10.234 -4.114 -5.995 1.00 0.00 H new ATOM 0 HA LEU A 22 8.491 -2.478 -4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.640 -4.303 -3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.193 -3.782 -4.033 1.00 0.00 H new ATOM 0 HG LEU A 22 11.085 -1.780 -2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.443 -1.755 -0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.659 -1.620 -2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.630 -3.167 -1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.544 -3.014 -0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.816 -4.474 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.305 -3.793 -1.867 1.00 0.00 H new ATOM 361 N LYS A 23 11.189 -1.132 -5.699 1.00 0.00 N ATOM 362 CA LYS A 23 11.891 0.125 -5.920 1.00 0.00 C ATOM 363 C LYS A 23 11.088 1.054 -6.827 1.00 0.00 C ATOM 364 O LYS A 23 11.053 2.266 -6.616 1.00 0.00 O ATOM 365 CB LYS A 23 13.268 -0.141 -6.532 1.00 0.00 C ATOM 366 CG LYS A 23 14.102 1.115 -6.731 1.00 0.00 C ATOM 367 CD LYS A 23 15.503 0.788 -7.220 1.00 0.00 C ATOM 368 CE LYS A 23 15.489 0.239 -8.638 1.00 0.00 C ATOM 369 NZ LYS A 23 14.982 1.241 -9.616 1.00 0.00 N ATOM 0 H LYS A 23 11.544 -1.914 -6.249 1.00 0.00 H new ATOM 0 HA LYS A 23 12.015 0.616 -4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.814 -0.831 -5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.139 -0.637 -7.494 1.00 0.00 H new ATOM 0 HG2 LYS A 23 13.609 1.769 -7.450 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.163 1.664 -5.791 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.120 1.686 -7.183 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.961 0.059 -6.552 1.00 0.00 H new ATOM 0 HE2 LYS A 23 16.497 -0.065 -8.920 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.864 -0.653 -8.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.250 0.953 -10.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.946 1.299 -9.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 15.396 2.172 -9.406 1.00 0.00 H new ATOM 383 N ARG A 24 10.442 0.477 -7.837 1.00 0.00 N ATOM 384 CA ARG A 24 9.643 1.255 -8.779 1.00 0.00 C ATOM 385 C ARG A 24 8.371 1.787 -8.123 1.00 0.00 C ATOM 386 O ARG A 24 7.921 2.889 -8.431 1.00 0.00 O ATOM 387 CB ARG A 24 9.281 0.404 -9.999 1.00 0.00 C ATOM 388 CG ARG A 24 10.488 -0.067 -10.795 1.00 0.00 C ATOM 389 CD ARG A 24 10.085 -1.026 -11.905 1.00 0.00 C ATOM 390 NE ARG A 24 9.093 -0.439 -12.803 1.00 0.00 N ATOM 391 CZ ARG A 24 8.627 -1.052 -13.889 1.00 0.00 C ATOM 392 NH1 ARG A 24 9.068 -2.260 -14.216 1.00 0.00 N ATOM 393 NH2 ARG A 24 7.720 -0.455 -14.649 1.00 0.00 N ATOM 0 H ARG A 24 10.456 -0.526 -8.024 1.00 0.00 H new ATOM 0 HA ARG A 24 10.244 2.107 -9.099 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.713 -0.466 -9.669 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.628 0.982 -10.653 1.00 0.00 H new ATOM 0 HG2 ARG A 24 11.000 0.794 -11.225 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.196 -0.558 -10.128 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.968 -1.310 -12.477 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.682 -1.939 -11.467 1.00 0.00 H new ATOM 0 HE ARG A 24 8.738 0.492 -12.586 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.767 -2.723 -13.634 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.708 -2.726 -15.049 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.379 0.474 -14.402 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.363 -0.925 -15.481 1.00 0.00 H new ATOM 407 N PHE A 25 7.798 0.998 -7.216 1.00 0.00 N ATOM 408 CA PHE A 25 6.573 1.387 -6.521 1.00 0.00 C ATOM 409 C PHE A 25 6.730 2.744 -5.838 1.00 0.00 C ATOM 410 O PHE A 25 5.922 3.650 -6.045 1.00 0.00 O ATOM 411 CB PHE A 25 6.193 0.324 -5.486 1.00 0.00 C ATOM 412 CG PHE A 25 4.923 0.627 -4.737 1.00 0.00 C ATOM 413 CD1 PHE A 25 3.690 0.507 -5.357 1.00 0.00 C ATOM 414 CD2 PHE A 25 4.967 1.027 -3.411 1.00 0.00 C ATOM 415 CE1 PHE A 25 2.523 0.782 -4.668 1.00 0.00 C ATOM 416 CE2 PHE A 25 3.803 1.304 -2.717 1.00 0.00 C ATOM 417 CZ PHE A 25 2.580 1.180 -3.347 1.00 0.00 C ATOM 0 H PHE A 25 8.163 0.085 -6.945 1.00 0.00 H new ATOM 0 HA PHE A 25 5.779 1.469 -7.263 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.086 -0.637 -5.989 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.009 0.220 -4.771 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.640 0.195 -6.390 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.921 1.124 -2.914 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.568 0.686 -5.163 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.850 1.617 -1.684 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.669 1.394 -2.807 1.00 0.00 H new ATOM 427 N LYS A 26 7.773 2.877 -5.027 1.00 0.00 N ATOM 428 CA LYS A 26 8.031 4.121 -4.309 1.00 0.00 C ATOM 429 C LYS A 26 8.436 5.240 -5.263 1.00 0.00 C ATOM 430 O LYS A 26 8.178 6.414 -5.001 1.00 0.00 O ATOM 431 CB LYS A 26 9.133 3.909 -3.269 1.00 0.00 C ATOM 432 CG LYS A 26 8.714 3.019 -2.111 1.00 0.00 C ATOM 433 CD LYS A 26 9.839 2.852 -1.102 1.00 0.00 C ATOM 434 CE LYS A 26 9.428 1.942 0.044 1.00 0.00 C ATOM 435 NZ LYS A 26 9.142 0.558 -0.424 1.00 0.00 N ATOM 0 H LYS A 26 8.454 2.139 -4.850 1.00 0.00 H new ATOM 0 HA LYS A 26 7.108 4.415 -3.809 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.003 3.470 -3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.443 4.878 -2.878 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.842 3.448 -1.618 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.416 2.042 -2.491 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.717 2.439 -1.599 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.125 3.828 -0.709 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.222 1.916 0.790 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.544 2.350 0.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.998 -0.063 0.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.284 0.561 -1.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.945 0.209 -0.986 1.00 0.00 H new ATOM 449 N TYR A 27 9.068 4.871 -6.369 1.00 0.00 N ATOM 450 CA TYR A 27 9.519 5.847 -7.355 1.00 0.00 C ATOM 451 C TYR A 27 8.342 6.488 -8.089 1.00 0.00 C ATOM 452 O TYR A 27 8.365 7.683 -8.386 1.00 0.00 O ATOM 453 CB TYR A 27 10.467 5.184 -8.355 1.00 0.00 C ATOM 454 CG TYR A 27 11.029 6.137 -9.388 1.00 0.00 C ATOM 455 CD1 TYR A 27 12.132 6.931 -9.100 1.00 0.00 C ATOM 456 CD2 TYR A 27 10.456 6.241 -10.650 1.00 0.00 C ATOM 457 CE1 TYR A 27 12.648 7.804 -10.039 1.00 0.00 C ATOM 458 CE2 TYR A 27 10.966 7.111 -11.594 1.00 0.00 C ATOM 459 CZ TYR A 27 12.061 7.889 -11.285 1.00 0.00 C ATOM 460 OH TYR A 27 12.572 8.757 -12.224 1.00 0.00 O ATOM 0 H TYR A 27 9.281 3.902 -6.607 1.00 0.00 H new ATOM 0 HA TYR A 27 10.050 6.637 -6.825 1.00 0.00 H new ATOM 0 HB2 TYR A 27 11.292 4.726 -7.810 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.937 4.380 -8.866 1.00 0.00 H new ATOM 0 HD1 TYR A 27 12.594 6.865 -8.126 1.00 0.00 H new ATOM 0 HD2 TYR A 27 9.599 5.632 -10.896 1.00 0.00 H new ATOM 0 HE1 TYR A 27 13.505 8.416 -9.799 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.509 7.181 -12.570 1.00 0.00 H new ATOM 0 HH TYR A 27 12.045 8.695 -13.048 1.00 0.00 H new ATOM 470 N PHE A 28 7.315 5.693 -8.379 1.00 0.00 N ATOM 471 CA PHE A 28 6.139 6.193 -9.086 1.00 0.00 C ATOM 472 C PHE A 28 5.201 6.943 -8.146 1.00 0.00 C ATOM 473 O PHE A 28 4.845 8.093 -8.401 1.00 0.00 O ATOM 474 CB PHE A 28 5.389 5.043 -9.763 1.00 0.00 C ATOM 475 CG PHE A 28 6.013 4.594 -11.055 1.00 0.00 C ATOM 476 CD1 PHE A 28 5.968 5.404 -12.179 1.00 0.00 C ATOM 477 CD2 PHE A 28 6.645 3.363 -11.146 1.00 0.00 C ATOM 478 CE1 PHE A 28 6.540 4.995 -13.369 1.00 0.00 C ATOM 479 CE2 PHE A 28 7.219 2.949 -12.333 1.00 0.00 C ATOM 480 CZ PHE A 28 7.166 3.766 -13.446 1.00 0.00 C ATOM 0 H PHE A 28 7.273 4.703 -8.136 1.00 0.00 H new ATOM 0 HA PHE A 28 6.486 6.890 -9.849 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.344 4.197 -9.078 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.362 5.353 -9.954 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.480 6.366 -12.124 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.689 2.720 -10.279 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.498 5.636 -14.238 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.708 1.988 -12.391 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.613 3.444 -14.375 1.00 0.00 H new ATOM 490 N ALA A 29 4.800 6.288 -7.060 1.00 0.00 N ATOM 491 CA ALA A 29 3.892 6.900 -6.096 1.00 0.00 C ATOM 492 C ALA A 29 4.537 8.090 -5.394 1.00 0.00 C ATOM 493 O ALA A 29 3.971 9.183 -5.366 1.00 0.00 O ATOM 494 CB ALA A 29 3.441 5.872 -5.070 1.00 0.00 C ATOM 0 H ALA A 29 5.088 5.338 -6.826 1.00 0.00 H new ATOM 0 HA ALA A 29 3.024 7.265 -6.646 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.764 6.342 -4.357 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.925 5.055 -5.575 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.310 5.480 -4.541 1.00 0.00 H new ATOM 500 N LEU A 30 5.720 7.876 -4.828 1.00 0.00 N ATOM 501 CA LEU A 30 6.426 8.940 -4.125 1.00 0.00 C ATOM 502 C LEU A 30 7.485 9.587 -5.012 1.00 0.00 C ATOM 503 O LEU A 30 8.633 9.144 -5.050 1.00 0.00 O ATOM 504 CB LEU A 30 7.069 8.398 -2.847 1.00 0.00 C ATOM 505 CG LEU A 30 6.084 7.881 -1.794 1.00 0.00 C ATOM 506 CD1 LEU A 30 5.563 6.503 -2.172 1.00 0.00 C ATOM 507 CD2 LEU A 30 6.739 7.845 -0.423 1.00 0.00 C ATOM 0 H LEU A 30 6.208 6.980 -4.842 1.00 0.00 H new ATOM 0 HA LEU A 30 5.696 9.705 -3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.748 7.589 -3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.674 9.187 -2.400 1.00 0.00 H new ATOM 0 HG LEU A 30 5.237 8.566 -1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.865 6.156 -1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.052 6.558 -3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.398 5.806 -2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.024 7.475 0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.605 7.184 -0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.058 8.850 -0.146 1.00 0.00 H new ATOM 519 N THR A 31 7.088 10.634 -5.728 1.00 0.00 N ATOM 520 CA THR A 31 8.004 11.349 -6.608 1.00 0.00 C ATOM 521 C THR A 31 8.668 12.521 -5.890 1.00 0.00 C ATOM 522 O THR A 31 9.889 12.677 -5.932 1.00 0.00 O ATOM 523 CB THR A 31 7.283 11.876 -7.862 1.00 0.00 C ATOM 524 OG1 THR A 31 6.207 12.742 -7.484 1.00 0.00 O ATOM 525 CG2 THR A 31 6.744 10.723 -8.694 1.00 0.00 C ATOM 0 H THR A 31 6.138 11.006 -5.716 1.00 0.00 H new ATOM 0 HA THR A 31 8.769 10.633 -6.908 1.00 0.00 H new ATOM 0 HB THR A 31 8.002 12.435 -8.461 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.756 13.073 -8.288 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.238 11.116 -9.576 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.569 10.082 -9.005 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.038 10.144 -8.099 1.00 0.00 H new ATOM 533 N GLU A 32 7.853 13.339 -5.230 1.00 0.00 N ATOM 534 CA GLU A 32 8.354 14.505 -4.509 1.00 0.00 C ATOM 535 C GLU A 32 8.580 14.197 -3.032 1.00 0.00 C ATOM 536 O GLU A 32 8.999 15.068 -2.269 1.00 0.00 O ATOM 537 CB GLU A 32 7.375 15.673 -4.646 1.00 0.00 C ATOM 538 CG GLU A 32 7.105 16.080 -6.086 1.00 0.00 C ATOM 539 CD GLU A 32 6.120 17.228 -6.192 1.00 0.00 C ATOM 540 OE1 GLU A 32 4.903 16.961 -6.270 1.00 0.00 O ATOM 541 OE2 GLU A 32 6.567 18.394 -6.197 1.00 0.00 O ATOM 0 H GLU A 32 6.842 13.216 -5.180 1.00 0.00 H new ATOM 0 HA GLU A 32 9.313 14.778 -4.951 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.432 15.402 -4.172 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.770 16.532 -4.103 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.043 16.366 -6.561 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.718 15.222 -6.636 1.00 0.00 H new ATOM 548 N PHE A 33 8.302 12.961 -2.632 1.00 0.00 N ATOM 549 CA PHE A 33 8.477 12.561 -1.239 1.00 0.00 C ATOM 550 C PHE A 33 9.903 12.080 -0.982 1.00 0.00 C ATOM 551 O PHE A 33 10.379 12.116 0.153 1.00 0.00 O ATOM 552 CB PHE A 33 7.475 11.467 -0.866 1.00 0.00 C ATOM 553 CG PHE A 33 6.048 11.942 -0.847 1.00 0.00 C ATOM 554 CD1 PHE A 33 5.569 12.687 0.219 1.00 0.00 C ATOM 555 CD2 PHE A 33 5.190 11.649 -1.895 1.00 0.00 C ATOM 556 CE1 PHE A 33 4.260 13.130 0.239 1.00 0.00 C ATOM 557 CE2 PHE A 33 3.881 12.090 -1.882 1.00 0.00 C ATOM 558 CZ PHE A 33 3.415 12.833 -0.813 1.00 0.00 C ATOM 0 H PHE A 33 7.957 12.223 -3.246 1.00 0.00 H new ATOM 0 HA PHE A 33 8.293 13.434 -0.613 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.566 10.644 -1.575 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.731 11.071 0.117 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.226 12.924 1.043 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.549 11.069 -2.732 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.898 13.708 1.076 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.223 11.855 -2.705 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.393 13.180 -0.800 1.00 0.00 H new ATOM 568 N GLN A 34 10.577 11.640 -2.043 1.00 0.00 N ATOM 569 CA GLN A 34 11.953 11.153 -1.942 1.00 0.00 C ATOM 570 C GLN A 34 12.127 10.235 -0.735 1.00 0.00 C ATOM 571 O GLN A 34 13.020 10.438 0.089 1.00 0.00 O ATOM 572 CB GLN A 34 12.930 12.329 -1.850 1.00 0.00 C ATOM 573 CG GLN A 34 12.913 13.231 -3.074 1.00 0.00 C ATOM 574 CD GLN A 34 13.988 14.302 -3.029 1.00 0.00 C ATOM 575 OE1 GLN A 34 15.117 13.987 -2.402 1.00 0.00 O flip ATOM 576 NE2 GLN A 34 13.810 15.399 -3.557 1.00 0.00 N flip ATOM 0 H GLN A 34 10.191 11.610 -2.987 1.00 0.00 H new ATOM 0 HA GLN A 34 12.170 10.578 -2.842 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.689 12.923 -0.968 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.939 11.942 -1.708 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.048 12.624 -3.969 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.936 13.707 -3.156 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.928 15.601 -4.029 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.544 16.106 -3.523 1.00 0.00 H new ATOM 585 N ILE A 35 11.269 9.227 -0.640 1.00 0.00 N ATOM 586 CA ILE A 35 11.322 8.278 0.464 1.00 0.00 C ATOM 587 C ILE A 35 12.677 7.570 0.514 1.00 0.00 C ATOM 588 O ILE A 35 13.289 7.308 -0.521 1.00 0.00 O ATOM 589 CB ILE A 35 10.191 7.236 0.351 1.00 0.00 C ATOM 590 CG1 ILE A 35 10.122 6.375 1.614 1.00 0.00 C ATOM 591 CG2 ILE A 35 10.389 6.368 -0.883 1.00 0.00 C ATOM 592 CD1 ILE A 35 8.845 5.567 1.726 1.00 0.00 C ATOM 0 H ILE A 35 10.527 9.046 -1.316 1.00 0.00 H new ATOM 0 HA ILE A 35 11.188 8.841 1.387 1.00 0.00 H new ATOM 0 HB ILE A 35 9.244 7.765 0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.975 5.696 1.628 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.213 7.019 2.489 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.582 5.638 -0.948 1.00 0.00 H new ATOM 0 HG22 ILE A 35 10.383 6.996 -1.774 1.00 0.00 H new ATOM 0 HG23 ILE A 35 11.344 5.848 -0.812 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.865 4.981 2.645 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.988 6.241 1.744 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.762 4.897 0.870 1.00 0.00 H new ATOM 604 N ALA A 36 13.139 7.267 1.725 1.00 0.00 N ATOM 605 CA ALA A 36 14.427 6.604 1.913 1.00 0.00 C ATOM 606 C ALA A 36 14.392 5.150 1.449 1.00 0.00 C ATOM 607 O ALA A 36 13.541 4.370 1.876 1.00 0.00 O ATOM 608 CB ALA A 36 14.847 6.679 3.374 1.00 0.00 C ATOM 0 H ALA A 36 12.640 7.470 2.591 1.00 0.00 H new ATOM 0 HA ALA A 36 15.160 7.127 1.299 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.808 6.182 3.502 1.00 0.00 H new ATOM 0 HB2 ALA A 36 14.936 7.723 3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.098 6.186 3.994 1.00 0.00 H new ATOM 614 N ARG A 37 15.325 4.798 0.567 1.00 0.00 N ATOM 615 CA ARG A 37 15.416 3.441 0.036 1.00 0.00 C ATOM 616 C ARG A 37 15.818 2.442 1.121 1.00 0.00 C ATOM 617 O ARG A 37 15.625 1.237 0.968 1.00 0.00 O ATOM 618 CB ARG A 37 16.414 3.391 -1.126 1.00 0.00 C ATOM 619 CG ARG A 37 17.776 3.989 -0.800 1.00 0.00 C ATOM 620 CD ARG A 37 18.689 2.978 -0.123 1.00 0.00 C ATOM 621 NE ARG A 37 18.903 1.792 -0.948 1.00 0.00 N ATOM 622 CZ ARG A 37 19.660 0.763 -0.578 1.00 0.00 C ATOM 623 NH1 ARG A 37 20.272 0.775 0.599 1.00 0.00 N ATOM 624 NH2 ARG A 37 19.807 -0.280 -1.385 1.00 0.00 N ATOM 0 H ARG A 37 16.032 5.438 0.204 1.00 0.00 H new ATOM 0 HA ARG A 37 14.429 3.159 -0.329 1.00 0.00 H new ATOM 0 HB2 ARG A 37 16.548 2.353 -1.432 1.00 0.00 H new ATOM 0 HB3 ARG A 37 15.990 3.922 -1.978 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.245 4.346 -1.717 1.00 0.00 H new ATOM 0 HG3 ARG A 37 17.647 4.855 -0.150 1.00 0.00 H new ATOM 0 HD2 ARG A 37 19.649 3.446 0.094 1.00 0.00 H new ATOM 0 HD3 ARG A 37 18.256 2.681 0.832 1.00 0.00 H new ATOM 0 HE ARG A 37 18.446 1.751 -1.859 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.163 1.575 1.223 1.00 0.00 H new ATOM 0 HH12 ARG A 37 20.852 -0.015 0.880 1.00 0.00 H new ATOM 0 HH21 ARG A 37 19.339 -0.294 -2.291 1.00 0.00 H new ATOM 0 HH22 ARG A 37 20.388 -1.068 -1.099 1.00 0.00 H new ATOM 638 N SER A 38 16.387 2.948 2.210 1.00 0.00 N ATOM 639 CA SER A 38 16.821 2.091 3.311 1.00 0.00 C ATOM 640 C SER A 38 15.626 1.512 4.063 1.00 0.00 C ATOM 641 O SER A 38 15.710 0.424 4.635 1.00 0.00 O ATOM 642 CB SER A 38 17.713 2.876 4.275 1.00 0.00 C ATOM 643 OG SER A 38 17.019 3.983 4.825 1.00 0.00 O ATOM 0 H SER A 38 16.559 3.943 2.355 1.00 0.00 H new ATOM 0 HA SER A 38 17.392 1.265 2.887 1.00 0.00 H new ATOM 0 HB2 SER A 38 18.052 2.220 5.077 1.00 0.00 H new ATOM 0 HB3 SER A 38 18.603 3.225 3.750 1.00 0.00 H new ATOM 0 HG SER A 38 17.610 4.467 5.439 1.00 0.00 H new ATOM 649 N THR A 39 14.516 2.243 4.056 1.00 0.00 N ATOM 650 CA THR A 39 13.304 1.808 4.745 1.00 0.00 C ATOM 651 C THR A 39 12.765 0.501 4.168 1.00 0.00 C ATOM 652 O THR A 39 11.980 -0.189 4.816 1.00 0.00 O ATOM 653 CB THR A 39 12.195 2.875 4.661 1.00 0.00 C ATOM 654 OG1 THR A 39 11.783 3.050 3.301 1.00 0.00 O ATOM 655 CG2 THR A 39 12.674 4.205 5.225 1.00 0.00 C ATOM 0 H THR A 39 14.430 3.141 3.580 1.00 0.00 H new ATOM 0 HA THR A 39 13.584 1.653 5.787 1.00 0.00 H new ATOM 0 HB THR A 39 11.349 2.531 5.256 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.551 3.327 2.759 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.873 4.940 5.154 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.957 4.076 6.270 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.536 4.552 4.656 1.00 0.00 H new ATOM 663 N LEU A 40 13.195 0.167 2.952 1.00 0.00 N ATOM 664 CA LEU A 40 12.746 -1.051 2.274 1.00 0.00 C ATOM 665 C LEU A 40 12.899 -2.296 3.150 1.00 0.00 C ATOM 666 O LEU A 40 12.328 -3.344 2.849 1.00 0.00 O ATOM 667 CB LEU A 40 13.515 -1.242 0.965 1.00 0.00 C ATOM 668 CG LEU A 40 12.887 -0.583 -0.268 1.00 0.00 C ATOM 669 CD1 LEU A 40 12.752 0.920 -0.074 1.00 0.00 C ATOM 670 CD2 LEU A 40 13.713 -0.886 -1.508 1.00 0.00 C ATOM 0 H LEU A 40 13.857 0.725 2.413 1.00 0.00 H new ATOM 0 HA LEU A 40 11.684 -0.926 2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 40 14.522 -0.846 1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.614 -2.311 0.774 1.00 0.00 H new ATOM 0 HG LEU A 40 11.888 -0.998 -0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 40 12.304 1.363 -0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.118 1.120 0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 40 13.738 1.356 0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 40 13.255 -0.411 -2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 40 14.724 -0.500 -1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 40 13.754 -1.964 -1.664 1.00 0.00 H new ATOM 682 N ASP A 41 13.671 -2.184 4.228 1.00 0.00 N ATOM 683 CA ASP A 41 13.884 -3.309 5.135 1.00 0.00 C ATOM 684 C ASP A 41 12.562 -3.774 5.747 1.00 0.00 C ATOM 685 O ASP A 41 12.238 -4.961 5.724 1.00 0.00 O ATOM 686 CB ASP A 41 14.864 -2.917 6.241 1.00 0.00 C ATOM 687 CG ASP A 41 15.149 -4.061 7.195 1.00 0.00 C ATOM 688 OD1 ASP A 41 16.021 -4.896 6.876 1.00 0.00 O ATOM 689 OD2 ASP A 41 14.498 -4.124 8.257 1.00 0.00 O ATOM 0 H ASP A 41 14.158 -1.328 4.494 1.00 0.00 H new ATOM 0 HA ASP A 41 14.306 -4.134 4.561 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.799 -2.581 5.792 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.458 -2.074 6.800 1.00 0.00 H new ATOM 694 N VAL A 42 11.805 -2.825 6.292 1.00 0.00 N ATOM 695 CA VAL A 42 10.515 -3.118 6.912 1.00 0.00 C ATOM 696 C VAL A 42 9.436 -2.185 6.374 1.00 0.00 C ATOM 697 O VAL A 42 8.350 -2.072 6.944 1.00 0.00 O ATOM 698 CB VAL A 42 10.577 -2.977 8.444 1.00 0.00 C ATOM 699 CG1 VAL A 42 11.301 -4.163 9.063 1.00 0.00 C ATOM 700 CG2 VAL A 42 11.254 -1.672 8.834 1.00 0.00 C ATOM 0 H VAL A 42 12.065 -1.839 6.317 1.00 0.00 H new ATOM 0 HA VAL A 42 10.269 -4.150 6.663 1.00 0.00 H new ATOM 0 HB VAL A 42 9.557 -2.962 8.828 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.334 -4.044 10.146 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.771 -5.083 8.815 1.00 0.00 H new ATOM 0 HG13 VAL A 42 12.317 -4.213 8.672 1.00 0.00 H new ATOM 0 HG21 VAL A 42 11.288 -1.590 9.920 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.269 -1.656 8.437 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.691 -0.833 8.425 1.00 0.00 H new ATOM 710 N ALA A 43 9.755 -1.523 5.270 1.00 0.00 N ATOM 711 CA ALA A 43 8.853 -0.572 4.628 1.00 0.00 C ATOM 712 C ALA A 43 7.429 -1.090 4.501 1.00 0.00 C ATOM 713 O ALA A 43 6.475 -0.356 4.734 1.00 0.00 O ATOM 714 CB ALA A 43 9.387 -0.197 3.255 1.00 0.00 C ATOM 0 H ALA A 43 10.649 -1.630 4.792 1.00 0.00 H new ATOM 0 HA ALA A 43 8.814 0.306 5.272 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.708 0.513 2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.372 0.257 3.359 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.464 -1.092 2.638 1.00 0.00 H new ATOM 720 N ASP A 44 7.276 -2.359 4.193 1.00 0.00 N ATOM 721 CA ASP A 44 5.944 -2.902 3.988 1.00 0.00 C ATOM 722 C ASP A 44 5.037 -2.693 5.197 1.00 0.00 C ATOM 723 O ASP A 44 3.947 -2.137 5.063 1.00 0.00 O ATOM 724 CB ASP A 44 6.037 -4.395 3.670 1.00 0.00 C ATOM 725 CG ASP A 44 6.761 -5.173 4.750 1.00 0.00 C ATOM 726 OD1 ASP A 44 8.009 -5.197 4.729 1.00 0.00 O ATOM 727 OD2 ASP A 44 6.080 -5.757 5.618 1.00 0.00 O ATOM 0 H ASP A 44 8.039 -3.026 4.080 1.00 0.00 H new ATOM 0 HA ASP A 44 5.501 -2.364 3.150 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.033 -4.800 3.546 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.555 -4.530 2.720 1.00 0.00 H new ATOM 732 N ARG A 45 5.471 -3.131 6.373 1.00 0.00 N ATOM 733 CA ARG A 45 4.647 -2.977 7.567 1.00 0.00 C ATOM 734 C ARG A 45 4.701 -1.583 8.216 1.00 0.00 C ATOM 735 O ARG A 45 3.687 -0.888 8.291 1.00 0.00 O ATOM 736 CB ARG A 45 5.009 -4.053 8.600 1.00 0.00 C ATOM 737 CG ARG A 45 6.501 -4.192 8.865 1.00 0.00 C ATOM 738 CD ARG A 45 6.797 -5.375 9.773 1.00 0.00 C ATOM 739 NE ARG A 45 6.327 -6.635 9.205 1.00 0.00 N ATOM 740 CZ ARG A 45 6.258 -7.772 9.892 1.00 0.00 C ATOM 741 NH1 ARG A 45 6.627 -7.804 11.164 1.00 0.00 N ATOM 742 NH2 ARG A 45 5.819 -8.877 9.305 1.00 0.00 N ATOM 0 H ARG A 45 6.371 -3.587 6.525 1.00 0.00 H new ATOM 0 HA ARG A 45 3.619 -3.099 7.227 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.505 -3.822 9.539 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.622 -5.013 8.258 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.030 -4.316 7.920 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.877 -3.277 9.323 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.871 -5.436 9.950 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.323 -5.215 10.742 1.00 0.00 H new ATOM 0 HE ARG A 45 6.035 -6.644 8.228 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.965 -6.956 11.619 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.573 -8.677 11.689 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.534 -8.856 8.326 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.766 -9.748 9.833 1.00 0.00 H new ATOM 756 N THR A 46 5.889 -1.181 8.679 1.00 0.00 N ATOM 757 CA THR A 46 6.051 0.086 9.407 1.00 0.00 C ATOM 758 C THR A 46 6.246 1.366 8.580 1.00 0.00 C ATOM 759 O THR A 46 5.451 2.301 8.680 1.00 0.00 O ATOM 760 CB THR A 46 7.230 -0.017 10.390 1.00 0.00 C ATOM 761 OG1 THR A 46 8.449 -0.231 9.669 1.00 0.00 O ATOM 762 CG2 THR A 46 7.017 -1.155 11.378 1.00 0.00 C ATOM 0 H THR A 46 6.752 -1.712 8.564 1.00 0.00 H new ATOM 0 HA THR A 46 5.083 0.204 9.895 1.00 0.00 H new ATOM 0 HB THR A 46 7.292 0.919 10.946 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.196 -0.294 10.300 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.864 -1.207 12.062 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.103 -0.978 11.945 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.931 -2.096 10.836 1.00 0.00 H new ATOM 770 N GLU A 47 7.301 1.404 7.768 1.00 0.00 N ATOM 771 CA GLU A 47 7.664 2.622 7.030 1.00 0.00 C ATOM 772 C GLU A 47 6.741 3.016 5.874 1.00 0.00 C ATOM 773 O GLU A 47 6.156 4.096 5.899 1.00 0.00 O ATOM 774 CB GLU A 47 9.102 2.496 6.530 1.00 0.00 C ATOM 775 CG GLU A 47 10.128 3.074 7.492 1.00 0.00 C ATOM 776 CD GLU A 47 10.110 2.391 8.845 1.00 0.00 C ATOM 777 OE1 GLU A 47 9.330 2.824 9.719 1.00 0.00 O ATOM 778 OE2 GLU A 47 10.878 1.424 9.032 1.00 0.00 O ATOM 0 H GLU A 47 7.920 0.611 7.602 1.00 0.00 H new ATOM 0 HA GLU A 47 7.551 3.433 7.750 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.328 1.444 6.358 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.190 3.002 5.569 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.122 2.981 7.056 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.937 4.139 7.624 1.00 0.00 H new ATOM 785 N LEU A 48 6.605 2.162 4.870 1.00 0.00 N ATOM 786 CA LEU A 48 5.774 2.488 3.708 1.00 0.00 C ATOM 787 C LEU A 48 4.325 2.763 4.097 1.00 0.00 C ATOM 788 O LEU A 48 3.760 3.783 3.708 1.00 0.00 O ATOM 789 CB LEU A 48 5.830 1.369 2.664 1.00 0.00 C ATOM 790 CG LEU A 48 5.956 1.833 1.210 1.00 0.00 C ATOM 791 CD1 LEU A 48 6.040 0.636 0.276 1.00 0.00 C ATOM 792 CD2 LEU A 48 4.789 2.730 0.822 1.00 0.00 C ATOM 0 H LEU A 48 7.052 1.246 4.831 1.00 0.00 H new ATOM 0 HA LEU A 48 6.183 3.401 3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.676 0.721 2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.929 0.763 2.757 1.00 0.00 H new ATOM 0 HG LEU A 48 6.874 2.413 1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.129 0.983 -0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.912 0.035 0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.139 0.031 0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.902 3.046 -0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.855 2.180 0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.774 3.607 1.469 1.00 0.00 H new ATOM 804 N ALA A 49 3.732 1.859 4.866 1.00 0.00 N ATOM 805 CA ALA A 49 2.338 2.004 5.277 1.00 0.00 C ATOM 806 C ALA A 49 2.067 3.349 5.951 1.00 0.00 C ATOM 807 O ALA A 49 1.185 4.093 5.526 1.00 0.00 O ATOM 808 CB ALA A 49 1.947 0.865 6.207 1.00 0.00 C ATOM 0 H ALA A 49 4.191 1.019 5.218 1.00 0.00 H new ATOM 0 HA ALA A 49 1.729 1.967 4.374 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.906 0.982 6.508 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.070 -0.086 5.689 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.584 0.882 7.091 1.00 0.00 H new ATOM 814 N ASP A 50 2.825 3.658 6.996 1.00 0.00 N ATOM 815 CA ASP A 50 2.644 4.906 7.737 1.00 0.00 C ATOM 816 C ASP A 50 3.036 6.137 6.915 1.00 0.00 C ATOM 817 O ASP A 50 2.371 7.171 6.981 1.00 0.00 O ATOM 818 CB ASP A 50 3.456 4.868 9.033 1.00 0.00 C ATOM 819 CG ASP A 50 3.216 6.087 9.903 1.00 0.00 C ATOM 820 OD1 ASP A 50 3.891 7.114 9.687 1.00 0.00 O ATOM 821 OD2 ASP A 50 2.351 6.011 10.802 1.00 0.00 O ATOM 0 H ASP A 50 3.573 3.062 7.352 1.00 0.00 H new ATOM 0 HA ASP A 50 1.582 4.993 7.966 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.199 3.969 9.593 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.517 4.801 8.792 1.00 0.00 H new ATOM 826 N HIS A 51 4.112 6.021 6.145 1.00 0.00 N ATOM 827 CA HIS A 51 4.607 7.136 5.336 1.00 0.00 C ATOM 828 C HIS A 51 3.602 7.567 4.270 1.00 0.00 C ATOM 829 O HIS A 51 3.231 8.739 4.197 1.00 0.00 O ATOM 830 CB HIS A 51 5.933 6.762 4.672 1.00 0.00 C ATOM 831 CG HIS A 51 6.681 7.934 4.113 1.00 0.00 C ATOM 832 ND1 HIS A 51 6.824 8.185 2.766 1.00 0.00 N ATOM 833 CD2 HIS A 51 7.343 8.932 4.752 1.00 0.00 C ATOM 834 CE1 HIS A 51 7.554 9.301 2.632 1.00 0.00 C ATOM 835 NE2 HIS A 51 7.892 9.795 3.807 1.00 0.00 N ATOM 0 H HIS A 51 4.661 5.166 6.062 1.00 0.00 H new ATOM 0 HA HIS A 51 4.757 7.979 6.011 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.564 6.255 5.402 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.739 6.050 3.869 1.00 0.00 H new ATOM 0 HD2 HIS A 51 7.430 9.040 5.823 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.830 9.739 1.684 1.00 0.00 H new ATOM 0 HE2 HIS A 51 8.442 10.635 3.987 1.00 0.00 H new ATOM 843 N LEU A 52 3.167 6.620 3.443 1.00 0.00 N ATOM 844 CA LEU A 52 2.224 6.917 2.367 1.00 0.00 C ATOM 845 C LEU A 52 0.966 7.609 2.894 1.00 0.00 C ATOM 846 O LEU A 52 0.369 8.429 2.199 1.00 0.00 O ATOM 847 CB LEU A 52 1.858 5.641 1.595 1.00 0.00 C ATOM 848 CG LEU A 52 1.126 4.561 2.396 1.00 0.00 C ATOM 849 CD1 LEU A 52 -0.375 4.785 2.351 1.00 0.00 C ATOM 850 CD2 LEU A 52 1.467 3.179 1.864 1.00 0.00 C ATOM 0 H LEU A 52 3.451 5.642 3.497 1.00 0.00 H new ATOM 0 HA LEU A 52 2.717 7.607 1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.235 5.920 0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.774 5.209 1.191 1.00 0.00 H new ATOM 0 HG LEU A 52 1.455 4.626 3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.876 4.007 2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.610 5.760 2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.717 4.749 1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.938 2.424 2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.167 3.107 0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.541 3.012 1.946 1.00 0.00 H new ATOM 862 N ILE A 53 0.562 7.272 4.118 1.00 0.00 N ATOM 863 CA ILE A 53 -0.627 7.878 4.719 1.00 0.00 C ATOM 864 C ILE A 53 -0.507 9.399 4.766 1.00 0.00 C ATOM 865 O ILE A 53 -1.467 10.115 4.484 1.00 0.00 O ATOM 866 CB ILE A 53 -0.882 7.345 6.153 1.00 0.00 C ATOM 867 CG1 ILE A 53 -1.346 5.881 6.133 1.00 0.00 C ATOM 868 CG2 ILE A 53 -1.903 8.209 6.882 1.00 0.00 C ATOM 869 CD1 ILE A 53 -2.370 5.563 5.063 1.00 0.00 C ATOM 0 H ILE A 53 1.035 6.589 4.709 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.470 7.601 4.087 1.00 0.00 H new ATOM 0 HB ILE A 53 0.065 7.395 6.691 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.477 5.239 5.989 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.767 5.633 7.107 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.064 7.814 7.885 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.532 9.232 6.950 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.845 8.201 6.333 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.641 4.509 5.121 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.259 6.175 5.216 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.948 5.776 4.081 1.00 0.00 H new ATOM 881 N GLN A 54 0.675 9.884 5.123 1.00 0.00 N ATOM 882 CA GLN A 54 0.922 11.320 5.215 1.00 0.00 C ATOM 883 C GLN A 54 0.638 12.028 3.891 1.00 0.00 C ATOM 884 O GLN A 54 0.305 13.212 3.873 1.00 0.00 O ATOM 885 CB GLN A 54 2.368 11.581 5.640 1.00 0.00 C ATOM 886 CG GLN A 54 2.708 11.035 7.017 1.00 0.00 C ATOM 887 CD GLN A 54 4.123 11.371 7.442 1.00 0.00 C ATOM 888 OE1 GLN A 54 5.061 10.620 7.174 1.00 0.00 O ATOM 889 NE2 GLN A 54 4.286 12.507 8.111 1.00 0.00 N ATOM 0 H GLN A 54 1.481 9.303 5.355 1.00 0.00 H new ATOM 0 HA GLN A 54 0.242 11.723 5.966 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.039 11.135 4.906 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.552 12.655 5.629 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.007 11.439 7.748 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.580 9.953 7.017 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.481 13.100 8.312 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.216 12.786 8.424 1.00 0.00 H new ATOM 898 N SER A 55 0.770 11.299 2.786 1.00 0.00 N ATOM 899 CA SER A 55 0.548 11.871 1.460 1.00 0.00 C ATOM 900 C SER A 55 -0.847 12.488 1.326 1.00 0.00 C ATOM 901 O SER A 55 -0.976 13.675 1.030 1.00 0.00 O ATOM 902 CB SER A 55 0.748 10.804 0.382 1.00 0.00 C ATOM 903 OG SER A 55 2.043 10.233 0.462 1.00 0.00 O ATOM 0 H SER A 55 1.029 10.312 2.782 1.00 0.00 H new ATOM 0 HA SER A 55 1.279 12.669 1.326 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.004 10.023 0.495 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.603 11.247 -0.603 1.00 0.00 H new ATOM 0 HG SER A 55 2.698 10.854 0.080 1.00 0.00 H new ATOM 909 N ALA A 56 -1.887 11.683 1.541 1.00 0.00 N ATOM 910 CA ALA A 56 -3.260 12.173 1.427 1.00 0.00 C ATOM 911 C ALA A 56 -4.061 11.935 2.704 1.00 0.00 C ATOM 912 O ALA A 56 -4.906 12.749 3.077 1.00 0.00 O ATOM 913 CB ALA A 56 -3.952 11.515 0.243 1.00 0.00 C ATOM 0 H ALA A 56 -1.807 10.698 1.793 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.212 13.250 1.268 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.974 11.886 0.166 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.410 11.752 -0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.968 10.434 0.386 1.00 0.00 H new ATOM 919 N GLY A 57 -3.792 10.816 3.368 1.00 0.00 N ATOM 920 CA GLY A 57 -4.504 10.488 4.590 1.00 0.00 C ATOM 921 C GLY A 57 -4.546 8.993 4.840 1.00 0.00 C ATOM 922 O GLY A 57 -4.033 8.214 4.039 1.00 0.00 O ATOM 0 H GLY A 57 -3.094 10.130 3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.023 10.983 5.434 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.522 10.874 4.531 1.00 0.00 H new ATOM 926 N ALA A 58 -5.158 8.589 5.948 1.00 0.00 N ATOM 927 CA ALA A 58 -5.249 7.175 6.289 1.00 0.00 C ATOM 928 C ALA A 58 -6.080 6.401 5.269 1.00 0.00 C ATOM 929 O ALA A 58 -5.549 5.596 4.507 1.00 0.00 O ATOM 930 CB ALA A 58 -5.831 7.002 7.684 1.00 0.00 C ATOM 0 H ALA A 58 -5.596 9.217 6.622 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.239 6.767 6.272 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.892 5.940 7.924 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.190 7.501 8.410 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -6.828 7.440 7.719 1.00 0.00 H new ATOM 936 N ALA A 59 -7.383 6.658 5.254 1.00 0.00 N ATOM 937 CA ALA A 59 -8.291 5.978 4.334 1.00 0.00 C ATOM 938 C ALA A 59 -8.039 6.379 2.883 1.00 0.00 C ATOM 939 O ALA A 59 -8.202 5.571 1.969 1.00 0.00 O ATOM 940 CB ALA A 59 -9.734 6.273 4.712 1.00 0.00 C ATOM 0 H ALA A 59 -7.836 7.334 5.869 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.103 4.908 4.418 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.403 5.762 4.020 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.923 5.922 5.726 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.911 7.347 4.661 1.00 0.00 H new ATOM 946 N SER A 60 -7.640 7.629 2.681 1.00 0.00 N ATOM 947 CA SER A 60 -7.392 8.152 1.340 1.00 0.00 C ATOM 948 C SER A 60 -6.198 7.476 0.664 1.00 0.00 C ATOM 949 O SER A 60 -6.326 6.928 -0.431 1.00 0.00 O ATOM 950 CB SER A 60 -7.166 9.663 1.405 1.00 0.00 C ATOM 951 OG SER A 60 -8.289 10.321 1.968 1.00 0.00 O ATOM 0 H SER A 60 -7.480 8.302 3.430 1.00 0.00 H new ATOM 0 HA SER A 60 -8.274 7.933 0.737 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.279 9.876 2.001 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.978 10.050 0.403 1.00 0.00 H new ATOM 0 HG SER A 60 -8.120 11.286 2.001 1.00 0.00 H new ATOM 957 N ALA A 61 -5.040 7.519 1.317 1.00 0.00 N ATOM 958 CA ALA A 61 -3.823 6.932 0.761 1.00 0.00 C ATOM 959 C ALA A 61 -3.972 5.435 0.492 1.00 0.00 C ATOM 960 O ALA A 61 -3.625 4.957 -0.588 1.00 0.00 O ATOM 961 CB ALA A 61 -2.645 7.182 1.689 1.00 0.00 C ATOM 0 H ALA A 61 -4.918 7.954 2.232 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.640 7.418 -0.197 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.745 6.739 1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.499 8.255 1.810 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.845 6.731 2.661 1.00 0.00 H new ATOM 967 N VAL A 62 -4.483 4.701 1.474 1.00 0.00 N ATOM 968 CA VAL A 62 -4.661 3.256 1.336 1.00 0.00 C ATOM 969 C VAL A 62 -5.553 2.910 0.145 1.00 0.00 C ATOM 970 O VAL A 62 -5.387 1.863 -0.481 1.00 0.00 O ATOM 971 CB VAL A 62 -5.258 2.639 2.618 1.00 0.00 C ATOM 972 CG1 VAL A 62 -5.464 1.140 2.457 1.00 0.00 C ATOM 973 CG2 VAL A 62 -4.359 2.928 3.809 1.00 0.00 C ATOM 0 H VAL A 62 -4.781 5.079 2.373 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.670 2.834 1.166 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.232 3.095 2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.886 0.730 3.375 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.148 0.954 1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.507 0.661 2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.792 2.487 4.707 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.373 2.499 3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.267 4.006 3.942 1.00 0.00 H new ATOM 983 N THR A 63 -6.495 3.794 -0.171 1.00 0.00 N ATOM 984 CA THR A 63 -7.408 3.565 -1.285 1.00 0.00 C ATOM 985 C THR A 63 -6.727 3.818 -2.629 1.00 0.00 C ATOM 986 O THR A 63 -6.779 2.977 -3.526 1.00 0.00 O ATOM 987 CB THR A 63 -8.662 4.454 -1.178 1.00 0.00 C ATOM 988 OG1 THR A 63 -9.344 4.190 0.053 1.00 0.00 O ATOM 989 CG2 THR A 63 -9.607 4.203 -2.345 1.00 0.00 C ATOM 0 H THR A 63 -6.645 4.672 0.326 1.00 0.00 H new ATOM 0 HA THR A 63 -7.708 2.519 -1.231 1.00 0.00 H new ATOM 0 HB THR A 63 -8.343 5.496 -1.205 1.00 0.00 H new ATOM 0 HG1 THR A 63 -9.167 4.916 0.687 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.484 4.842 -2.247 1.00 0.00 H new ATOM 0 HG22 THR A 63 -9.097 4.429 -3.281 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.917 3.158 -2.344 1.00 0.00 H new ATOM 997 N LYS A 64 -6.091 4.977 -2.763 1.00 0.00 N ATOM 998 CA LYS A 64 -5.408 5.334 -4.002 1.00 0.00 C ATOM 999 C LYS A 64 -4.204 4.427 -4.247 1.00 0.00 C ATOM 1000 O LYS A 64 -3.759 4.264 -5.383 1.00 0.00 O ATOM 1001 CB LYS A 64 -4.976 6.805 -3.971 1.00 0.00 C ATOM 1002 CG LYS A 64 -4.051 7.161 -2.814 1.00 0.00 C ATOM 1003 CD LYS A 64 -2.592 6.901 -3.155 1.00 0.00 C ATOM 1004 CE LYS A 64 -1.671 7.305 -2.016 1.00 0.00 C ATOM 1005 NZ LYS A 64 -0.238 7.074 -2.350 1.00 0.00 N ATOM 0 H LYS A 64 -6.034 5.684 -2.030 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.108 5.194 -4.826 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.475 7.044 -4.909 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.866 7.432 -3.916 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.182 8.212 -2.555 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.328 6.579 -1.935 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.453 5.843 -3.378 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.324 7.455 -4.055 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.824 8.359 -1.782 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.931 6.739 -1.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.357 7.362 -1.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.086 6.064 -2.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.018 7.634 -3.189 1.00 0.00 H new ATOM 1019 N ALA A 65 -3.686 3.839 -3.173 1.00 0.00 N ATOM 1020 CA ALA A 65 -2.534 2.950 -3.265 1.00 0.00 C ATOM 1021 C ALA A 65 -2.840 1.733 -4.134 1.00 0.00 C ATOM 1022 O ALA A 65 -1.965 1.227 -4.837 1.00 0.00 O ATOM 1023 CB ALA A 65 -2.101 2.509 -1.874 1.00 0.00 C ATOM 0 H ALA A 65 -4.047 3.963 -2.227 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.719 3.501 -3.735 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.240 1.845 -1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.831 3.384 -1.283 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.922 1.981 -1.388 1.00 0.00 H new ATOM 1029 N ILE A 66 -4.085 1.267 -4.079 1.00 0.00 N ATOM 1030 CA ILE A 66 -4.504 0.107 -4.858 1.00 0.00 C ATOM 1031 C ILE A 66 -4.474 0.402 -6.355 1.00 0.00 C ATOM 1032 O ILE A 66 -4.095 -0.451 -7.154 1.00 0.00 O ATOM 1033 CB ILE A 66 -5.926 -0.349 -4.464 1.00 0.00 C ATOM 1034 CG1 ILE A 66 -5.979 -0.723 -2.980 1.00 0.00 C ATOM 1035 CG2 ILE A 66 -6.375 -1.521 -5.328 1.00 0.00 C ATOM 1036 CD1 ILE A 66 -5.067 -1.872 -2.606 1.00 0.00 C ATOM 0 H ILE A 66 -4.821 1.676 -3.503 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.796 -0.692 -4.637 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.610 0.482 -4.634 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.711 0.150 -2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.004 -0.985 -2.717 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.379 -1.826 -5.034 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.380 -1.220 -6.376 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.688 -2.356 -5.194 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.160 -2.078 -1.540 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.348 -2.759 -3.173 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.035 -1.607 -2.836 1.00 0.00 H new ATOM 1048 N ASN A 67 -4.867 1.617 -6.723 1.00 0.00 N ATOM 1049 CA ASN A 67 -4.905 2.027 -8.126 1.00 0.00 C ATOM 1050 C ASN A 67 -3.513 2.045 -8.756 1.00 0.00 C ATOM 1051 O ASN A 67 -3.335 1.618 -9.897 1.00 0.00 O ATOM 1052 CB ASN A 67 -5.545 3.411 -8.248 1.00 0.00 C ATOM 1053 CG ASN A 67 -5.640 3.882 -9.686 1.00 0.00 C ATOM 1054 OD1 ASN A 67 -4.709 4.490 -10.214 1.00 0.00 O ATOM 1055 ND2 ASN A 67 -6.770 3.607 -10.327 1.00 0.00 N ATOM 0 H ASN A 67 -5.165 2.339 -6.067 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.503 1.293 -8.665 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.543 3.386 -7.811 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.962 4.129 -7.672 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.892 3.902 -11.296 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.516 3.100 -9.851 1.00 0.00 H new ATOM 1062 N ILE A 68 -2.528 2.542 -8.015 1.00 0.00 N ATOM 1063 CA ILE A 68 -1.158 2.626 -8.518 1.00 0.00 C ATOM 1064 C ILE A 68 -0.475 1.261 -8.543 1.00 0.00 C ATOM 1065 O ILE A 68 0.133 0.880 -9.541 1.00 0.00 O ATOM 1066 CB ILE A 68 -0.307 3.592 -7.668 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -0.994 4.957 -7.569 1.00 0.00 C ATOM 1068 CG2 ILE A 68 1.089 3.732 -8.261 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.270 5.940 -6.672 1.00 0.00 C ATOM 0 H ILE A 68 -2.651 2.893 -7.065 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.230 3.004 -9.538 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.211 3.182 -6.663 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.078 5.385 -8.568 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.008 4.817 -7.195 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.677 4.417 -7.650 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.575 2.756 -8.282 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.016 4.123 -9.276 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.815 6.884 -6.651 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.209 5.534 -5.662 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.736 6.111 -7.056 1.00 0.00 H new ATOM 1081 N PHE A 69 -0.582 0.531 -7.438 1.00 0.00 N ATOM 1082 CA PHE A 69 0.045 -0.784 -7.316 1.00 0.00 C ATOM 1083 C PHE A 69 -0.495 -1.785 -8.338 1.00 0.00 C ATOM 1084 O PHE A 69 0.265 -2.565 -8.911 1.00 0.00 O ATOM 1085 CB PHE A 69 -0.166 -1.338 -5.905 1.00 0.00 C ATOM 1086 CG PHE A 69 0.503 -2.664 -5.675 1.00 0.00 C ATOM 1087 CD1 PHE A 69 1.880 -2.747 -5.543 1.00 0.00 C ATOM 1088 CD2 PHE A 69 -0.244 -3.829 -5.594 1.00 0.00 C ATOM 1089 CE1 PHE A 69 2.500 -3.964 -5.335 1.00 0.00 C ATOM 1090 CE2 PHE A 69 0.370 -5.050 -5.386 1.00 0.00 C ATOM 1091 CZ PHE A 69 1.743 -5.117 -5.257 1.00 0.00 C ATOM 0 H PHE A 69 -1.099 0.827 -6.610 1.00 0.00 H new ATOM 0 HA PHE A 69 1.109 -0.649 -7.513 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.214 -0.618 -5.180 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.235 -1.443 -5.720 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.476 -1.849 -5.604 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.318 -3.782 -5.695 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.574 -4.014 -5.234 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.223 -5.950 -5.324 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.225 -6.070 -5.095 1.00 0.00 H new ATOM 1101 N GLN A 70 -1.803 -1.760 -8.564 1.00 0.00 N ATOM 1102 CA GLN A 70 -2.432 -2.696 -9.493 1.00 0.00 C ATOM 1103 C GLN A 70 -1.940 -2.511 -10.930 1.00 0.00 C ATOM 1104 O GLN A 70 -1.363 -3.423 -11.519 1.00 0.00 O ATOM 1105 CB GLN A 70 -3.964 -2.574 -9.427 1.00 0.00 C ATOM 1106 CG GLN A 70 -4.519 -1.240 -9.907 1.00 0.00 C ATOM 1107 CD GLN A 70 -6.011 -1.110 -9.670 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -6.553 -1.681 -8.723 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -6.684 -0.359 -10.533 1.00 0.00 N ATOM 0 H GLN A 70 -2.448 -1.106 -8.120 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.141 -3.699 -9.182 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.404 -3.371 -10.026 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.283 -2.735 -8.397 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.001 -0.430 -9.394 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.313 -1.127 -10.971 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.194 0.096 -11.303 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.691 -0.237 -10.426 1.00 0.00 H new ATOM 1118 N LYS A 71 -2.138 -1.325 -11.479 1.00 0.00 N ATOM 1119 CA LYS A 71 -1.757 -1.040 -12.857 1.00 0.00 C ATOM 1120 C LYS A 71 -0.245 -1.081 -13.072 1.00 0.00 C ATOM 1121 O LYS A 71 0.218 -1.011 -14.211 1.00 0.00 O ATOM 1122 CB LYS A 71 -2.302 0.327 -13.275 1.00 0.00 C ATOM 1123 CG LYS A 71 -2.283 0.561 -14.778 1.00 0.00 C ATOM 1124 CD LYS A 71 -2.815 1.941 -15.137 1.00 0.00 C ATOM 1125 CE LYS A 71 -4.274 2.105 -14.739 1.00 0.00 C ATOM 1126 NZ LYS A 71 -5.154 1.122 -15.429 1.00 0.00 N ATOM 0 H LYS A 71 -2.563 -0.537 -10.990 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.192 -1.824 -13.477 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.326 0.426 -12.914 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.716 1.106 -12.788 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.264 0.455 -15.150 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.884 -0.201 -15.273 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.215 2.703 -14.639 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.710 2.103 -16.210 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.371 1.984 -13.660 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.603 3.116 -14.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.149 1.392 -15.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.934 1.112 -16.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.995 0.174 -15.031 1.00 0.00 H new ATOM 1140 N LEU A 72 0.532 -1.197 -11.996 1.00 0.00 N ATOM 1141 CA LEU A 72 1.986 -1.189 -12.140 1.00 0.00 C ATOM 1142 C LEU A 72 2.636 -2.570 -12.101 1.00 0.00 C ATOM 1143 O LEU A 72 3.547 -2.842 -12.884 1.00 0.00 O ATOM 1144 CB LEU A 72 2.585 -0.367 -11.006 1.00 0.00 C ATOM 1145 CG LEU A 72 3.127 1.006 -11.394 1.00 0.00 C ATOM 1146 CD1 LEU A 72 4.270 0.873 -12.389 1.00 0.00 C ATOM 1147 CD2 LEU A 72 2.021 1.883 -11.962 1.00 0.00 C ATOM 0 H LEU A 72 0.191 -1.295 -11.040 1.00 0.00 H new ATOM 0 HA LEU A 72 2.186 -0.769 -13.126 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.823 -0.232 -10.239 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.394 -0.941 -10.554 1.00 0.00 H new ATOM 0 HG LEU A 72 3.512 1.484 -10.493 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.641 1.864 -12.652 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.076 0.291 -11.942 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.914 0.369 -13.287 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.431 2.856 -12.231 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.600 1.409 -12.848 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.239 2.013 -11.214 1.00 0.00 H new ATOM 1159 N ASN A 73 2.190 -3.442 -11.205 1.00 0.00 N ATOM 1160 CA ASN A 73 2.805 -4.767 -11.102 1.00 0.00 C ATOM 1161 C ASN A 73 1.824 -5.935 -11.208 1.00 0.00 C ATOM 1162 O ASN A 73 2.037 -6.858 -11.994 1.00 0.00 O ATOM 1163 CB ASN A 73 3.588 -4.872 -9.794 1.00 0.00 C ATOM 1164 CG ASN A 73 4.504 -6.083 -9.756 1.00 0.00 C ATOM 1165 OD1 ASN A 73 4.814 -6.604 -8.687 1.00 0.00 O ATOM 1166 ND2 ASN A 73 4.942 -6.537 -10.926 1.00 0.00 N ATOM 0 H ASN A 73 1.425 -3.267 -10.553 1.00 0.00 H new ATOM 0 HA ASN A 73 3.466 -4.854 -11.964 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.181 -3.968 -9.657 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.889 -4.924 -8.960 1.00 0.00 H new ATOM 0 HD21 ASN A 73 5.560 -7.348 -10.959 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.660 -6.075 -11.790 1.00 0.00 H new ATOM 1173 N TYR A 74 0.754 -5.894 -10.420 1.00 0.00 N ATOM 1174 CA TYR A 74 -0.206 -7.003 -10.388 1.00 0.00 C ATOM 1175 C TYR A 74 -1.664 -6.549 -10.388 1.00 0.00 C ATOM 1176 O TYR A 74 -2.393 -6.799 -9.426 1.00 0.00 O ATOM 1177 CB TYR A 74 0.055 -7.889 -9.168 1.00 0.00 C ATOM 1178 CG TYR A 74 1.252 -8.802 -9.322 1.00 0.00 C ATOM 1179 CD1 TYR A 74 1.198 -9.912 -10.158 1.00 0.00 C ATOM 1180 CD2 TYR A 74 2.431 -8.558 -8.631 1.00 0.00 C ATOM 1181 CE1 TYR A 74 2.288 -10.750 -10.301 1.00 0.00 C ATOM 1182 CE2 TYR A 74 3.524 -9.393 -8.769 1.00 0.00 C ATOM 1183 CZ TYR A 74 3.447 -10.487 -9.604 1.00 0.00 C ATOM 1184 OH TYR A 74 4.533 -11.321 -9.744 1.00 0.00 O ATOM 0 H TYR A 74 0.527 -5.116 -9.800 1.00 0.00 H new ATOM 0 HA TYR A 74 -0.052 -7.566 -11.309 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.204 -7.254 -8.295 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.830 -8.495 -8.974 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.290 -10.123 -10.704 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.495 -7.702 -7.975 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.231 -11.607 -10.956 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.434 -9.189 -8.225 1.00 0.00 H new ATOM 0 HH TYR A 74 5.270 -10.995 -9.186 1.00 0.00 H new ATOM 1194 N MET A 75 -2.088 -5.877 -11.452 1.00 0.00 N ATOM 1195 CA MET A 75 -3.469 -5.408 -11.554 1.00 0.00 C ATOM 1196 C MET A 75 -4.457 -6.544 -11.292 1.00 0.00 C ATOM 1197 O MET A 75 -5.625 -6.304 -10.984 1.00 0.00 O ATOM 1198 CB MET A 75 -3.728 -4.806 -12.937 1.00 0.00 C ATOM 1199 CG MET A 75 -3.386 -5.744 -14.084 1.00 0.00 C ATOM 1200 SD MET A 75 -3.915 -5.110 -15.688 1.00 0.00 S ATOM 1201 CE MET A 75 -3.009 -3.567 -15.764 1.00 0.00 C ATOM 0 H MET A 75 -1.501 -5.645 -12.253 1.00 0.00 H new ATOM 0 HA MET A 75 -3.617 -4.640 -10.795 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.778 -4.524 -13.010 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.145 -3.891 -13.041 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.309 -5.911 -14.102 1.00 0.00 H new ATOM 0 HG3 MET A 75 -3.856 -6.712 -13.908 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.986 -3.209 -16.793 1.00 0.00 H new ATOM 0 HE2 MET A 75 -3.499 -2.826 -15.133 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.990 -3.726 -15.412 1.00 0.00 H new ATOM 1211 N HIS A 76 -3.982 -7.780 -11.415 1.00 0.00 N ATOM 1212 CA HIS A 76 -4.821 -8.951 -11.186 1.00 0.00 C ATOM 1213 C HIS A 76 -4.946 -9.254 -9.692 1.00 0.00 C ATOM 1214 O HIS A 76 -6.051 -9.434 -9.177 1.00 0.00 O ATOM 1215 CB HIS A 76 -4.242 -10.164 -11.918 1.00 0.00 C ATOM 1216 CG HIS A 76 -5.140 -11.365 -11.899 1.00 0.00 C ATOM 1217 ND1 HIS A 76 -5.859 -11.802 -12.988 1.00 0.00 N ATOM 1218 CD2 HIS A 76 -5.424 -12.229 -10.892 1.00 0.00 C ATOM 1219 CE1 HIS A 76 -6.542 -12.893 -12.619 1.00 0.00 C ATOM 1220 NE2 HIS A 76 -6.313 -13.195 -11.356 1.00 0.00 N ATOM 0 H HIS A 76 -3.019 -7.996 -11.672 1.00 0.00 H new ATOM 0 HA HIS A 76 -5.816 -8.737 -11.576 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.039 -9.890 -12.953 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -3.287 -10.429 -11.465 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -5.024 -12.176 -9.890 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -7.196 -13.453 -13.271 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -6.706 -13.975 -10.828 1.00 0.00 H new ATOM 1228 N ILE A 77 -3.808 -9.313 -9.004 1.00 0.00 N ATOM 1229 CA ILE A 77 -3.785 -9.602 -7.570 1.00 0.00 C ATOM 1230 C ILE A 77 -4.505 -8.523 -6.766 1.00 0.00 C ATOM 1231 O ILE A 77 -5.337 -8.829 -5.910 1.00 0.00 O ATOM 1232 CB ILE A 77 -2.337 -9.743 -7.051 1.00 0.00 C ATOM 1233 CG1 ILE A 77 -1.685 -10.998 -7.640 1.00 0.00 C ATOM 1234 CG2 ILE A 77 -2.312 -9.784 -5.525 1.00 0.00 C ATOM 1235 CD1 ILE A 77 -0.256 -11.215 -7.188 1.00 0.00 C ATOM 0 H ILE A 77 -2.887 -9.164 -9.417 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.308 -10.548 -7.433 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.766 -8.872 -7.373 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.280 -11.869 -7.363 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.706 -10.930 -8.728 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.283 -9.884 -5.181 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.740 -8.863 -5.129 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.896 -10.635 -5.174 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.137 -12.122 -7.647 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.354 -10.363 -7.488 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.229 -11.316 -6.103 1.00 0.00 H new ATOM 1247 N ALA A 78 -4.177 -7.264 -7.038 1.00 0.00 N ATOM 1248 CA ALA A 78 -4.787 -6.143 -6.331 1.00 0.00 C ATOM 1249 C ALA A 78 -6.310 -6.191 -6.413 1.00 0.00 C ATOM 1250 O ALA A 78 -6.999 -5.746 -5.497 1.00 0.00 O ATOM 1251 CB ALA A 78 -4.269 -4.824 -6.879 1.00 0.00 C ATOM 0 H ALA A 78 -3.492 -6.994 -7.744 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.508 -6.223 -5.280 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.734 -3.998 -6.340 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.188 -4.777 -6.752 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.513 -4.749 -7.939 1.00 0.00 H new ATOM 1257 N ASN A 79 -6.829 -6.729 -7.513 1.00 0.00 N ATOM 1258 CA ASN A 79 -8.273 -6.831 -7.707 1.00 0.00 C ATOM 1259 C ASN A 79 -8.930 -7.567 -6.541 1.00 0.00 C ATOM 1260 O ASN A 79 -10.017 -7.200 -6.095 1.00 0.00 O ATOM 1261 CB ASN A 79 -8.581 -7.554 -9.021 1.00 0.00 C ATOM 1262 CG ASN A 79 -10.069 -7.745 -9.241 1.00 0.00 C ATOM 1263 OD1 ASN A 79 -10.638 -8.767 -8.861 1.00 0.00 O ATOM 1264 ND2 ASN A 79 -10.707 -6.756 -9.857 1.00 0.00 N ATOM 0 H ASN A 79 -6.273 -7.101 -8.283 1.00 0.00 H new ATOM 0 HA ASN A 79 -8.681 -5.821 -7.750 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -8.164 -6.985 -9.852 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.089 -8.526 -9.021 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -11.709 -6.827 -10.032 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -10.194 -5.926 -10.155 1.00 0.00 H new ATOM 1271 N ALA A 80 -8.274 -8.617 -6.065 1.00 0.00 N ATOM 1272 CA ALA A 80 -8.786 -9.400 -4.947 1.00 0.00 C ATOM 1273 C ALA A 80 -8.652 -8.643 -3.626 1.00 0.00 C ATOM 1274 O ALA A 80 -9.479 -8.793 -2.727 1.00 0.00 O ATOM 1275 CB ALA A 80 -8.064 -10.736 -4.867 1.00 0.00 C ATOM 0 H ALA A 80 -7.383 -8.947 -6.437 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.847 -9.579 -5.121 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.455 -11.311 -4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.221 -11.291 -5.792 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.997 -10.565 -4.723 1.00 0.00 H new ATOM 1281 N LEU A 81 -7.603 -7.833 -3.520 1.00 0.00 N ATOM 1282 CA LEU A 81 -7.337 -7.065 -2.303 1.00 0.00 C ATOM 1283 C LEU A 81 -8.321 -5.909 -2.117 1.00 0.00 C ATOM 1284 O LEU A 81 -8.819 -5.687 -1.014 1.00 0.00 O ATOM 1285 CB LEU A 81 -5.906 -6.525 -2.325 1.00 0.00 C ATOM 1286 CG LEU A 81 -5.479 -5.764 -1.068 1.00 0.00 C ATOM 1287 CD1 LEU A 81 -5.437 -6.693 0.135 1.00 0.00 C ATOM 1288 CD2 LEU A 81 -4.125 -5.105 -1.282 1.00 0.00 C ATOM 0 H LEU A 81 -6.920 -7.690 -4.264 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.465 -7.744 -1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.222 -7.360 -2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.797 -5.865 -3.185 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.216 -4.985 -0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.131 -6.132 1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.427 -7.119 0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.723 -7.496 -0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.835 -4.568 -0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.380 -5.869 -1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.188 -4.406 -2.116 1.00 0.00 H new ATOM 1300 N GLU A 82 -8.590 -5.171 -3.192 1.00 0.00 N ATOM 1301 CA GLU A 82 -9.502 -4.030 -3.125 1.00 0.00 C ATOM 1302 C GLU A 82 -10.870 -4.441 -2.584 1.00 0.00 C ATOM 1303 O GLU A 82 -11.592 -3.620 -2.019 1.00 0.00 O ATOM 1304 CB GLU A 82 -9.658 -3.383 -4.505 1.00 0.00 C ATOM 1305 CG GLU A 82 -10.314 -4.286 -5.535 1.00 0.00 C ATOM 1306 CD GLU A 82 -10.584 -3.574 -6.846 1.00 0.00 C ATOM 1307 OE1 GLU A 82 -11.632 -2.905 -6.953 1.00 0.00 O ATOM 1308 OE2 GLU A 82 -9.745 -3.686 -7.765 1.00 0.00 O ATOM 0 H GLU A 82 -8.192 -5.341 -4.116 1.00 0.00 H new ATOM 0 HA GLU A 82 -9.069 -3.303 -2.438 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.249 -2.473 -4.404 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.675 -3.086 -4.870 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.672 -5.147 -5.719 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.252 -4.668 -5.133 1.00 0.00 H new ATOM 1315 N GLU A 83 -11.221 -5.710 -2.763 1.00 0.00 N ATOM 1316 CA GLU A 83 -12.503 -6.221 -2.288 1.00 0.00 C ATOM 1317 C GLU A 83 -12.640 -6.032 -0.779 1.00 0.00 C ATOM 1318 O GLU A 83 -13.736 -5.793 -0.271 1.00 0.00 O ATOM 1319 CB GLU A 83 -12.650 -7.703 -2.641 1.00 0.00 C ATOM 1320 CG GLU A 83 -13.960 -8.312 -2.166 1.00 0.00 C ATOM 1321 CD GLU A 83 -14.073 -9.787 -2.501 1.00 0.00 C ATOM 1322 OE1 GLU A 83 -13.651 -10.619 -1.670 1.00 0.00 O ATOM 1323 OE2 GLU A 83 -14.585 -10.110 -3.593 1.00 0.00 O ATOM 0 H GLU A 83 -10.638 -6.403 -3.232 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.294 -5.656 -2.782 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.575 -7.820 -3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.820 -8.257 -2.202 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.048 -8.180 -1.088 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.792 -7.775 -2.621 1.00 0.00 H new ATOM 1330 N LYS A 84 -11.520 -6.142 -0.072 1.00 0.00 N ATOM 1331 CA LYS A 84 -11.502 -5.988 1.378 1.00 0.00 C ATOM 1332 C LYS A 84 -12.058 -4.629 1.796 1.00 0.00 C ATOM 1333 O LYS A 84 -12.634 -4.487 2.875 1.00 0.00 O ATOM 1334 CB LYS A 84 -10.072 -6.149 1.901 1.00 0.00 C ATOM 1335 CG LYS A 84 -9.982 -6.207 3.417 1.00 0.00 C ATOM 1336 CD LYS A 84 -10.578 -7.494 3.963 1.00 0.00 C ATOM 1337 CE LYS A 84 -11.113 -7.296 5.369 1.00 0.00 C ATOM 1338 NZ LYS A 84 -12.164 -6.245 5.409 1.00 0.00 N ATOM 0 H LYS A 84 -10.607 -6.339 -0.483 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.137 -6.762 1.810 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.642 -7.060 1.485 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.466 -5.317 1.541 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -8.939 -6.129 3.724 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.505 -5.352 3.846 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -11.382 -7.832 3.309 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -9.819 -8.277 3.966 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.523 -8.236 5.739 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.295 -7.020 6.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -11.792 -5.401 5.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.444 -5.997 4.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -12.992 -6.602 5.927 1.00 0.00 H new ATOM 1352 N LYS A 85 -11.880 -3.633 0.933 1.00 0.00 N ATOM 1353 CA LYS A 85 -12.353 -2.279 1.205 1.00 0.00 C ATOM 1354 C LYS A 85 -13.857 -2.261 1.466 1.00 0.00 C ATOM 1355 O LYS A 85 -14.344 -1.479 2.283 1.00 0.00 O ATOM 1356 CB LYS A 85 -12.011 -1.361 0.026 1.00 0.00 C ATOM 1357 CG LYS A 85 -12.234 0.120 0.306 1.00 0.00 C ATOM 1358 CD LYS A 85 -13.659 0.555 -0.017 1.00 0.00 C ATOM 1359 CE LYS A 85 -13.967 0.421 -1.502 1.00 0.00 C ATOM 1360 NZ LYS A 85 -13.046 1.240 -2.337 1.00 0.00 N ATOM 0 H LYS A 85 -11.409 -3.739 0.035 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.852 -1.916 2.103 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -10.968 -1.515 -0.250 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.614 -1.652 -0.834 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -12.021 0.327 1.355 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -11.533 0.710 -0.284 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -14.362 -0.049 0.556 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -13.802 1.590 0.292 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -13.889 -0.626 -1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -14.996 0.729 -1.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -13.434 1.328 -3.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -12.945 2.186 -1.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -12.115 0.779 -2.380 1.00 0.00 H new ATOM 1374 N LYS A 86 -14.588 -3.124 0.767 1.00 0.00 N ATOM 1375 CA LYS A 86 -16.037 -3.206 0.920 1.00 0.00 C ATOM 1376 C LYS A 86 -16.429 -3.410 2.382 1.00 0.00 C ATOM 1377 O LYS A 86 -17.275 -2.690 2.913 1.00 0.00 O ATOM 1378 CB LYS A 86 -16.596 -4.345 0.066 1.00 0.00 C ATOM 1379 CG LYS A 86 -16.438 -4.118 -1.431 1.00 0.00 C ATOM 1380 CD LYS A 86 -17.322 -2.981 -1.921 1.00 0.00 C ATOM 1381 CE LYS A 86 -17.159 -2.755 -3.417 1.00 0.00 C ATOM 1382 NZ LYS A 86 -17.541 -3.958 -4.205 1.00 0.00 N ATOM 0 H LYS A 86 -14.200 -3.778 0.087 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.463 -2.261 0.582 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.094 -5.273 0.339 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.654 -4.475 0.296 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -15.396 -3.893 -1.658 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -16.690 -5.033 -1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -18.365 -3.207 -1.697 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -17.071 -2.066 -1.384 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -17.773 -1.909 -3.725 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.123 -2.493 -3.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -17.629 -3.702 -5.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.810 -4.690 -4.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -18.451 -4.324 -3.860 1.00 0.00 H new ATOM 1396 N GLU A 87 -15.809 -4.392 3.028 1.00 0.00 N ATOM 1397 CA GLU A 87 -16.095 -4.687 4.428 1.00 0.00 C ATOM 1398 C GLU A 87 -15.491 -3.626 5.343 1.00 0.00 C ATOM 1399 O GLU A 87 -16.010 -3.359 6.428 1.00 0.00 O ATOM 1400 CB GLU A 87 -15.556 -6.068 4.801 1.00 0.00 C ATOM 1401 CG GLU A 87 -15.833 -6.463 6.243 1.00 0.00 C ATOM 1402 CD GLU A 87 -15.242 -7.812 6.602 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -14.069 -7.852 7.027 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -15.953 -8.829 6.459 1.00 0.00 O ATOM 0 H GLU A 87 -15.105 -4.997 2.605 1.00 0.00 H new ATOM 0 HA GLU A 87 -17.177 -4.680 4.561 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.998 -6.812 4.138 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -14.480 -6.087 4.629 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -15.425 -5.703 6.909 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -16.910 -6.487 6.409 1.00 0.00 H new ATOM 1411 N ALA A 88 -14.391 -3.027 4.898 1.00 0.00 N ATOM 1412 CA ALA A 88 -13.708 -1.992 5.669 1.00 0.00 C ATOM 1413 C ALA A 88 -14.671 -0.887 6.093 1.00 0.00 C ATOM 1414 O ALA A 88 -14.469 -0.235 7.117 1.00 0.00 O ATOM 1415 CB ALA A 88 -12.558 -1.408 4.862 1.00 0.00 C ATOM 0 H ALA A 88 -13.951 -3.241 4.003 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.311 -2.454 6.573 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.057 -0.637 5.448 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.847 -2.197 4.617 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.945 -0.970 3.942 1.00 0.00 H new ATOM 1421 N GLU A 89 -15.719 -0.683 5.299 1.00 0.00 N ATOM 1422 CA GLU A 89 -16.711 0.350 5.582 1.00 0.00 C ATOM 1423 C GLU A 89 -17.235 0.254 7.013 1.00 0.00 C ATOM 1424 O GLU A 89 -17.211 1.236 7.755 1.00 0.00 O ATOM 1425 CB GLU A 89 -17.879 0.244 4.600 1.00 0.00 C ATOM 1426 CG GLU A 89 -17.495 0.544 3.160 1.00 0.00 C ATOM 1427 CD GLU A 89 -18.668 0.415 2.208 1.00 0.00 C ATOM 1428 OE1 GLU A 89 -19.465 1.371 2.113 1.00 0.00 O ATOM 1429 OE2 GLU A 89 -18.789 -0.643 1.555 1.00 0.00 O ATOM 0 H GLU A 89 -15.903 -1.221 4.452 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.220 1.316 5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.297 -0.761 4.653 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -18.665 0.933 4.908 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -17.090 1.554 3.098 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -16.702 -0.137 2.849 1.00 0.00 H new ATOM 1436 N ARG A 90 -17.707 -0.929 7.398 1.00 0.00 N ATOM 1437 CA ARG A 90 -18.244 -1.132 8.740 1.00 0.00 C ATOM 1438 C ARG A 90 -17.132 -1.175 9.786 1.00 0.00 C ATOM 1439 O ARG A 90 -17.381 -0.967 10.974 1.00 0.00 O ATOM 1440 CB ARG A 90 -19.067 -2.424 8.798 1.00 0.00 C ATOM 1441 CG ARG A 90 -18.234 -3.688 8.652 1.00 0.00 C ATOM 1442 CD ARG A 90 -19.076 -4.936 8.871 1.00 0.00 C ATOM 1443 NE ARG A 90 -18.258 -6.146 8.930 1.00 0.00 N ATOM 1444 CZ ARG A 90 -18.753 -7.363 9.138 1.00 0.00 C ATOM 1445 NH1 ARG A 90 -20.058 -7.534 9.297 1.00 0.00 N ATOM 1446 NH2 ARG A 90 -17.941 -8.411 9.187 1.00 0.00 N ATOM 0 H ARG A 90 -17.729 -1.757 6.803 1.00 0.00 H new ATOM 0 HA ARG A 90 -18.891 -0.285 8.968 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -19.603 -2.460 9.747 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -19.818 -2.401 8.008 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -17.787 -3.718 7.658 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -17.414 -3.670 9.370 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -19.640 -4.834 9.798 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -19.803 -5.029 8.064 1.00 0.00 H new ATOM 0 HE ARG A 90 -17.250 -6.052 8.805 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -20.686 -6.731 9.260 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -20.434 -8.469 9.456 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -16.936 -8.284 9.065 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -18.321 -9.344 9.347 1.00 0.00 H new ATOM 1460 N LYS A 91 -15.909 -1.444 9.342 1.00 0.00 N ATOM 1461 CA LYS A 91 -14.767 -1.518 10.250 1.00 0.00 C ATOM 1462 C LYS A 91 -14.397 -0.140 10.790 1.00 0.00 C ATOM 1463 O LYS A 91 -13.754 -0.027 11.834 1.00 0.00 O ATOM 1464 CB LYS A 91 -13.558 -2.134 9.544 1.00 0.00 C ATOM 1465 CG LYS A 91 -13.683 -3.631 9.311 1.00 0.00 C ATOM 1466 CD LYS A 91 -12.430 -4.207 8.666 1.00 0.00 C ATOM 1467 CE LYS A 91 -11.215 -4.063 9.571 1.00 0.00 C ATOM 1468 NZ LYS A 91 -11.438 -4.687 10.905 1.00 0.00 N ATOM 0 H LYS A 91 -15.682 -1.614 8.362 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.056 -2.152 11.088 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.417 -1.637 8.584 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -12.665 -1.941 10.138 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.867 -4.133 10.261 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.545 -3.829 8.673 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.590 -5.260 8.436 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.241 -3.700 7.720 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.351 -4.525 9.094 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.981 -3.006 9.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.527 -4.796 11.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.065 -4.080 11.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.879 -5.621 10.782 1.00 0.00 H new ATOM 1482 N LEU A 92 -14.805 0.905 10.077 1.00 0.00 N ATOM 1483 CA LEU A 92 -14.503 2.272 10.486 1.00 0.00 C ATOM 1484 C LEU A 92 -15.703 2.930 11.159 1.00 0.00 C ATOM 1485 O LEU A 92 -15.701 4.136 11.407 1.00 0.00 O ATOM 1486 CB LEU A 92 -14.061 3.102 9.278 1.00 0.00 C ATOM 1487 CG LEU A 92 -12.595 2.928 8.866 1.00 0.00 C ATOM 1488 CD1 LEU A 92 -12.322 1.498 8.424 1.00 0.00 C ATOM 1489 CD2 LEU A 92 -12.237 3.906 7.758 1.00 0.00 C ATOM 0 H LEU A 92 -15.345 0.832 9.215 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.690 2.230 11.211 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.693 2.843 8.429 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -14.237 4.155 9.497 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.969 3.140 9.733 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.275 1.400 8.137 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -12.538 0.816 9.246 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.957 1.253 7.572 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.193 3.770 7.476 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.873 3.723 6.892 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.388 4.926 8.110 1.00 0.00 H new