USER MOD reduce.3.24.130724 H: found=0, std=0, add=1078, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1078 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 GLN : amide:sc= 0.0874 K(o=-0.024,f=-2.1) USER MOD Set 1.2: A 126 ASN : amide:sc= -0.111 K(o=-0.024,f=-2.1!) USER MOD Set 2.1: A 12 GLN : amide:sc= -1.75 K(o=-11,f=-11!) USER MOD Set 2.2: A 40 HIS : no HE2:sc= -9.55! C(o=-11!,f=-9.5!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -2.25 K(o=-2.2,f=-0.45) USER MOD Single : A 8 MET CE :methyl -141:sc=-0.00133 (180deg=-1.06) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.792 K(o=-0.79,f=-1.9!) USER MOD Single : A 25 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.54) USER MOD Single : A 26 TYR OH : rot 165:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0373) USER MOD Single : A 30 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.011) USER MOD Single : A 31 ASN : amide:sc= -0.431 X(o=-0.43,f=-0.00059) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0124) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -6.05! C(o=-6.1!,f=-8.2!) USER MOD Single : A 50 MET CE :methyl -170:sc= -3.74! (180deg=-3.87!) USER MOD Single : A 53 HIS : no HE2:sc= -2.29 K(o=-2.3,f=-1.6) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -172:sc= -0.0747 (180deg=-0.16) USER MOD Single : A 68 MET CE :methyl 164:sc= -0.0274 (180deg=-0.523) USER MOD Single : A 70 MET CE :methyl 173:sc= -8.87! (180deg=-9.21!) USER MOD Single : A 71 CYS SG : rot 105:sc= -2.26 USER MOD Single : A 73 LYS NZ :NH3+ -160:sc=-0.00194 (180deg=-0.116) USER MOD Single : A 74 ASN : amide:sc= -4.32 K(o=-4.3,f=-7.3!) USER MOD Single : A 78 THR OG1 : rot 71:sc= -1.55 USER MOD Single : A 81 THR OG1 : rot -107:sc= 0.274 USER MOD Single : A 83 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.374) USER MOD Single : A 92 GLN : amide:sc= -0.0382 X(o=-0.038,f=-0.038) USER MOD Single : A 100 CYS SG : rot -150:sc= -0.824 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 TYR OH : rot 175:sc= 0.429 USER MOD Single : A 107 GLN : amide:sc= -3.19! C(o=-3.2!,f=-3.2!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 86:sc= 0.711 USER MOD Single : A 114 GLN : amide:sc= -0.596 K(o=-0.6,f=-2.4) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot -120:sc= -1.32! USER MOD Single : A 123 MET CE :methyl 166:sc= -10.6! (180deg=-10.8!) USER MOD Single : A 125 GLN : amide:sc= -5.08! C(o=-5.1!,f=-8.2!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.696 23.459 6.857 1.00 0.00 N ATOM 2 CA ALA A 1 -7.285 23.766 6.510 1.00 0.00 C ATOM 3 C ALA A 1 -6.493 22.486 6.252 1.00 0.00 C ATOM 4 O ALA A 1 -5.442 22.262 6.853 1.00 0.00 O ATOM 5 CB ALA A 1 -6.635 24.576 7.622 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.212 24.346 7.027 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.142 22.944 6.072 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.723 22.872 7.715 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.280 24.356 5.594 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -5.601 24.795 7.356 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.180 25.510 7.758 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.658 24.004 8.550 1.00 0.00 H new ATOM 13 N ARG A 2 -7.005 21.653 5.351 1.00 0.00 N ATOM 14 CA ARG A 2 -6.346 20.397 5.012 1.00 0.00 C ATOM 15 C ARG A 2 -4.987 20.658 4.370 1.00 0.00 C ATOM 16 O ARG A 2 -3.946 20.334 4.937 1.00 0.00 O ATOM 17 CB ARG A 2 -7.228 19.575 4.069 1.00 0.00 C ATOM 18 CG ARG A 2 -7.635 18.225 4.639 1.00 0.00 C ATOM 19 CD ARG A 2 -8.292 18.366 6.004 1.00 0.00 C ATOM 20 NE ARG A 2 -9.668 17.877 6.004 1.00 0.00 N ATOM 21 CZ ARG A 2 -10.713 18.604 5.611 1.00 0.00 C ATOM 22 NH1 ARG A 2 -10.542 19.845 5.175 1.00 0.00 N ATOM 23 NH2 ARG A 2 -11.933 18.084 5.651 1.00 0.00 N ATOM 0 H ARG A 2 -7.873 21.825 4.843 1.00 0.00 H new ATOM 0 HA ARG A 2 -6.189 19.831 5.931 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -8.126 20.147 3.834 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.695 19.418 3.131 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -8.324 17.733 3.953 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.756 17.585 4.722 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.712 17.815 6.744 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.280 19.413 6.305 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.839 16.924 6.323 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -9.606 20.248 5.139 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -11.347 20.396 4.876 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -12.070 17.129 5.982 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.734 18.639 5.351 1.00 0.00 H new ATOM 37 N GLN A 3 -5.012 21.253 3.183 1.00 0.00 N ATOM 38 CA GLN A 3 -3.786 21.569 2.454 1.00 0.00 C ATOM 39 C GLN A 3 -2.831 22.373 3.329 1.00 0.00 C ATOM 40 O GLN A 3 -1.622 22.146 3.320 1.00 0.00 O ATOM 41 CB GLN A 3 -4.117 22.353 1.182 1.00 0.00 C ATOM 42 CG GLN A 3 -2.891 22.801 0.403 1.00 0.00 C ATOM 43 CD GLN A 3 -2.747 22.081 -0.923 1.00 0.00 C ATOM 44 OE1 GLN A 3 -2.915 22.676 -1.988 1.00 0.00 O ATOM 45 NE2 GLN A 3 -2.432 20.791 -0.866 1.00 0.00 N ATOM 0 H GLN A 3 -5.869 21.527 2.703 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.299 20.634 2.179 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -4.740 21.734 0.537 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.707 23.230 1.449 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.951 23.875 0.224 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.999 22.627 1.005 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -2.302 20.337 0.038 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.320 20.255 -1.726 1.00 0.00 H new ATOM 54 N GLN A 4 -3.386 23.310 4.086 1.00 0.00 N ATOM 55 CA GLN A 4 -2.589 24.147 4.971 1.00 0.00 C ATOM 56 C GLN A 4 -1.881 23.300 6.020 1.00 0.00 C ATOM 57 O GLN A 4 -0.772 23.620 6.445 1.00 0.00 O ATOM 58 CB GLN A 4 -3.472 25.195 5.647 1.00 0.00 C ATOM 59 CG GLN A 4 -4.296 26.012 4.666 1.00 0.00 C ATOM 60 CD GLN A 4 -3.435 26.811 3.706 1.00 0.00 C ATOM 61 OE1 GLN A 4 -3.350 28.036 3.803 1.00 0.00 O ATOM 62 NE2 GLN A 4 -2.789 26.122 2.771 1.00 0.00 N ATOM 0 H GLN A 4 -4.386 23.509 4.105 1.00 0.00 H new ATOM 0 HA GLN A 4 -1.834 24.656 4.373 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -4.143 24.697 6.347 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -2.843 25.867 6.231 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -4.944 25.345 4.098 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -4.944 26.692 5.219 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -2.887 25.108 2.726 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -2.195 26.607 2.099 1.00 0.00 H new ATOM 71 N GLU A 5 -2.525 22.210 6.427 1.00 0.00 N ATOM 72 CA GLU A 5 -1.950 21.315 7.415 1.00 0.00 C ATOM 73 C GLU A 5 -0.904 20.422 6.759 1.00 0.00 C ATOM 74 O GLU A 5 0.226 20.315 7.236 1.00 0.00 O ATOM 75 CB GLU A 5 -3.061 20.487 8.080 1.00 0.00 C ATOM 76 CG GLU A 5 -2.683 19.045 8.376 1.00 0.00 C ATOM 77 CD GLU A 5 -3.430 18.480 9.568 1.00 0.00 C ATOM 78 OE1 GLU A 5 -4.578 18.020 9.387 1.00 0.00 O ATOM 79 OE2 GLU A 5 -2.867 18.496 10.683 1.00 0.00 O ATOM 0 H GLU A 5 -3.444 21.929 6.086 1.00 0.00 H new ATOM 0 HA GLU A 5 -1.455 21.897 8.192 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.349 20.972 9.013 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.938 20.494 7.433 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.889 18.432 7.499 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.611 18.985 8.562 1.00 0.00 H new ATOM 86 N ILE A 6 -1.284 19.801 5.650 1.00 0.00 N ATOM 87 CA ILE A 6 -0.373 18.938 4.913 1.00 0.00 C ATOM 88 C ILE A 6 0.854 19.724 4.480 1.00 0.00 C ATOM 89 O ILE A 6 1.975 19.449 4.912 1.00 0.00 O ATOM 90 CB ILE A 6 -1.050 18.350 3.656 1.00 0.00 C ATOM 91 CG1 ILE A 6 -2.275 17.515 4.041 1.00 0.00 C ATOM 92 CG2 ILE A 6 -0.063 17.516 2.852 1.00 0.00 C ATOM 93 CD1 ILE A 6 -3.569 18.080 3.505 1.00 0.00 C ATOM 0 H ILE A 6 -2.216 19.879 5.242 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.085 18.122 5.576 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.384 19.178 3.031 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.147 16.499 3.668 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.336 17.450 5.127 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.561 17.112 1.971 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.773 18.142 2.541 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.307 16.696 3.468 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.399 17.443 3.812 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.718 19.085 3.899 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.526 18.120 2.417 1.00 0.00 H new ATOM 105 N ASP A 7 0.616 20.710 3.621 1.00 0.00 N ATOM 106 CA ASP A 7 1.672 21.578 3.095 1.00 0.00 C ATOM 107 C ASP A 7 2.978 20.821 2.850 1.00 0.00 C ATOM 108 O ASP A 7 4.063 21.390 2.975 1.00 0.00 O ATOM 109 CB ASP A 7 1.920 22.745 4.052 1.00 0.00 C ATOM 110 CG ASP A 7 2.419 22.284 5.408 1.00 0.00 C ATOM 111 OD1 ASP A 7 3.617 21.944 5.516 1.00 0.00 O ATOM 112 OD2 ASP A 7 1.614 22.263 6.362 1.00 0.00 O ATOM 0 H ASP A 7 -0.315 20.933 3.268 1.00 0.00 H new ATOM 0 HA ASP A 7 1.328 21.957 2.133 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.650 23.424 3.611 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.996 23.309 4.180 1.00 0.00 H new ATOM 117 N MET A 8 2.869 19.540 2.502 1.00 0.00 N ATOM 118 CA MET A 8 4.042 18.710 2.239 1.00 0.00 C ATOM 119 C MET A 8 5.096 18.884 3.326 1.00 0.00 C ATOM 120 O MET A 8 5.917 19.801 3.274 1.00 0.00 O ATOM 121 CB MET A 8 4.632 19.039 0.870 1.00 0.00 C ATOM 122 CG MET A 8 4.162 18.096 -0.222 1.00 0.00 C ATOM 123 SD MET A 8 3.056 18.893 -1.405 1.00 0.00 S ATOM 124 CE MET A 8 1.521 18.897 -0.481 1.00 0.00 C ATOM 0 H MET A 8 1.978 19.054 2.396 1.00 0.00 H new ATOM 0 HA MET A 8 3.723 17.668 2.243 1.00 0.00 H new ATOM 0 HB2 MET A 8 4.363 20.060 0.601 1.00 0.00 H new ATOM 0 HB3 MET A 8 5.720 19.002 0.931 1.00 0.00 H new ATOM 0 HG2 MET A 8 5.028 17.700 -0.751 1.00 0.00 H new ATOM 0 HG3 MET A 8 3.650 17.247 0.232 1.00 0.00 H new ATOM 0 HE1 MET A 8 0.691 18.679 -1.153 1.00 0.00 H new ATOM 0 HE2 MET A 8 1.565 18.138 0.300 1.00 0.00 H new ATOM 0 HE3 MET A 8 1.372 19.877 -0.027 1.00 0.00 H new ATOM 134 N LYS A 9 5.059 17.998 4.311 1.00 0.00 N ATOM 135 CA LYS A 9 6.002 18.048 5.423 1.00 0.00 C ATOM 136 C LYS A 9 7.296 17.307 5.091 1.00 0.00 C ATOM 137 O LYS A 9 8.314 17.926 4.783 1.00 0.00 O ATOM 138 CB LYS A 9 5.368 17.455 6.683 1.00 0.00 C ATOM 139 CG LYS A 9 4.765 18.501 7.609 1.00 0.00 C ATOM 140 CD LYS A 9 5.560 18.631 8.900 1.00 0.00 C ATOM 141 CE LYS A 9 5.711 20.086 9.316 1.00 0.00 C ATOM 142 NZ LYS A 9 6.765 20.260 10.355 1.00 0.00 N ATOM 0 H LYS A 9 4.385 17.234 4.364 1.00 0.00 H new ATOM 0 HA LYS A 9 6.249 19.094 5.603 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.591 16.748 6.391 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.124 16.890 7.229 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.736 19.465 7.100 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.735 18.232 7.841 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.061 18.074 9.693 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.546 18.185 8.768 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.959 20.689 8.443 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.759 20.455 9.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.837 21.265 10.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.516 19.704 11.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.678 19.932 9.981 1.00 0.00 H new ATOM 156 N ARG A 10 7.251 15.979 5.166 1.00 0.00 N ATOM 157 CA ARG A 10 8.423 15.158 4.884 1.00 0.00 C ATOM 158 C ARG A 10 8.367 14.575 3.476 1.00 0.00 C ATOM 159 O ARG A 10 7.432 14.837 2.720 1.00 0.00 O ATOM 160 CB ARG A 10 8.539 14.032 5.912 1.00 0.00 C ATOM 161 CG ARG A 10 9.122 14.480 7.243 1.00 0.00 C ATOM 162 CD ARG A 10 10.457 13.809 7.526 1.00 0.00 C ATOM 163 NE ARG A 10 11.337 13.824 6.360 1.00 0.00 N ATOM 164 CZ ARG A 10 12.385 13.020 6.211 1.00 0.00 C ATOM 165 NH1 ARG A 10 12.690 12.133 7.152 1.00 0.00 N ATOM 166 NH2 ARG A 10 13.133 13.099 5.119 1.00 0.00 N ATOM 0 H ARG A 10 6.416 15.450 5.419 1.00 0.00 H new ATOM 0 HA ARG A 10 9.303 15.798 4.950 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.551 13.605 6.083 1.00 0.00 H new ATOM 0 HB3 ARG A 10 9.163 13.238 5.500 1.00 0.00 H new ATOM 0 HG2 ARG A 10 9.252 15.562 7.237 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.421 14.248 8.044 1.00 0.00 H new ATOM 0 HD2 ARG A 10 10.948 14.316 8.357 1.00 0.00 H new ATOM 0 HD3 ARG A 10 10.286 12.779 7.837 1.00 0.00 H new ATOM 0 HE ARG A 10 11.135 14.491 5.616 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.119 12.066 7.994 1.00 0.00 H new ATOM 0 HH12 ARG A 10 13.495 11.519 7.032 1.00 0.00 H new ATOM 0 HH21 ARG A 10 12.904 13.777 4.392 1.00 0.00 H new ATOM 0 HH22 ARG A 10 13.937 12.482 5.006 1.00 0.00 H new ATOM 180 N GLN A 11 9.377 13.780 3.133 1.00 0.00 N ATOM 181 CA GLN A 11 9.452 13.155 1.818 1.00 0.00 C ATOM 182 C GLN A 11 8.368 12.092 1.657 1.00 0.00 C ATOM 183 O GLN A 11 7.601 11.828 2.585 1.00 0.00 O ATOM 184 CB GLN A 11 10.834 12.531 1.606 1.00 0.00 C ATOM 185 CG GLN A 11 11.412 12.780 0.222 1.00 0.00 C ATOM 186 CD GLN A 11 11.433 14.251 -0.147 1.00 0.00 C ATOM 187 OE1 GLN A 11 10.444 14.792 -0.642 1.00 0.00 O ATOM 188 NE2 GLN A 11 12.563 14.905 0.091 1.00 0.00 N ATOM 0 H GLN A 11 10.157 13.554 3.751 1.00 0.00 H new ATOM 0 HA GLN A 11 9.291 13.927 1.066 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.521 12.928 2.354 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.767 11.456 1.774 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.427 12.384 0.180 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.826 12.233 -0.516 1.00 0.00 H new ATOM 0 HE21 GLN A 11 13.358 14.416 0.503 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.636 15.896 -0.138 1.00 0.00 H new ATOM 197 N GLN A 12 8.311 11.490 0.475 1.00 0.00 N ATOM 198 CA GLN A 12 7.319 10.459 0.188 1.00 0.00 C ATOM 199 C GLN A 12 7.983 9.201 -0.357 1.00 0.00 C ATOM 200 O GLN A 12 8.516 9.196 -1.467 1.00 0.00 O ATOM 201 CB GLN A 12 6.291 10.983 -0.814 1.00 0.00 C ATOM 202 CG GLN A 12 5.840 12.408 -0.535 1.00 0.00 C ATOM 203 CD GLN A 12 5.343 12.598 0.885 1.00 0.00 C ATOM 204 OE1 GLN A 12 5.627 13.612 1.523 1.00 0.00 O ATOM 205 NE2 GLN A 12 4.597 11.622 1.389 1.00 0.00 N ATOM 0 H GLN A 12 8.940 11.698 -0.301 1.00 0.00 H new ATOM 0 HA GLN A 12 6.814 10.204 1.120 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.716 10.935 -1.817 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.421 10.327 -0.805 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.670 13.090 -0.719 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.046 12.676 -1.232 1.00 0.00 H new ATOM 0 HE21 GLN A 12 4.386 10.799 0.825 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.235 11.696 2.340 1.00 0.00 H new ATOM 214 N ARG A 13 7.947 8.130 0.432 1.00 0.00 N ATOM 215 CA ARG A 13 8.542 6.864 0.030 1.00 0.00 C ATOM 216 C ARG A 13 7.474 5.781 -0.098 1.00 0.00 C ATOM 217 O ARG A 13 6.596 5.656 0.755 1.00 0.00 O ATOM 218 CB ARG A 13 9.609 6.442 1.043 1.00 0.00 C ATOM 219 CG ARG A 13 10.939 6.070 0.406 1.00 0.00 C ATOM 220 CD ARG A 13 11.970 5.677 1.454 1.00 0.00 C ATOM 221 NE ARG A 13 13.240 6.378 1.267 1.00 0.00 N ATOM 222 CZ ARG A 13 14.402 5.951 1.758 1.00 0.00 C ATOM 223 NH1 ARG A 13 14.462 4.829 2.465 1.00 0.00 N ATOM 224 NH2 ARG A 13 15.509 6.649 1.541 1.00 0.00 N ATOM 0 H ARG A 13 7.511 8.117 1.354 1.00 0.00 H new ATOM 0 HA ARG A 13 9.011 6.996 -0.945 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.769 7.256 1.750 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.239 5.591 1.615 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.792 5.243 -0.289 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.313 6.913 -0.176 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.578 5.896 2.447 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.140 4.601 1.409 1.00 0.00 H new ATOM 0 HE ARG A 13 13.235 7.245 0.729 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.614 4.288 2.635 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.356 4.508 2.838 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.470 7.512 0.999 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.399 6.323 1.917 1.00 0.00 H new ATOM 238 N PHE A 14 7.551 5.005 -1.175 1.00 0.00 N ATOM 239 CA PHE A 14 6.586 3.937 -1.425 1.00 0.00 C ATOM 240 C PHE A 14 7.304 2.612 -1.667 1.00 0.00 C ATOM 241 O PHE A 14 8.423 2.592 -2.176 1.00 0.00 O ATOM 242 CB PHE A 14 5.706 4.277 -2.636 1.00 0.00 C ATOM 243 CG PHE A 14 5.601 5.752 -2.924 1.00 0.00 C ATOM 244 CD1 PHE A 14 6.702 6.463 -3.379 1.00 0.00 C ATOM 245 CD2 PHE A 14 4.406 6.424 -2.736 1.00 0.00 C ATOM 246 CE1 PHE A 14 6.611 7.816 -3.640 1.00 0.00 C ATOM 247 CE2 PHE A 14 4.308 7.779 -2.997 1.00 0.00 C ATOM 248 CZ PHE A 14 5.413 8.475 -3.448 1.00 0.00 C ATOM 0 H PHE A 14 8.273 5.095 -1.890 1.00 0.00 H new ATOM 0 HA PHE A 14 5.953 3.841 -0.543 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.107 3.773 -3.516 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.706 3.878 -2.468 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.641 5.952 -3.531 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.540 5.885 -2.382 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.476 8.358 -3.994 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.369 8.292 -2.848 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.340 9.533 -3.650 1.00 0.00 H new ATOM 258 N PHE A 15 6.658 1.506 -1.301 1.00 0.00 N ATOM 259 CA PHE A 15 7.254 0.184 -1.488 1.00 0.00 C ATOM 260 C PHE A 15 6.189 -0.903 -1.600 1.00 0.00 C ATOM 261 O PHE A 15 5.037 -0.713 -1.202 1.00 0.00 O ATOM 262 CB PHE A 15 8.202 -0.161 -0.331 1.00 0.00 C ATOM 263 CG PHE A 15 8.780 1.030 0.378 1.00 0.00 C ATOM 264 CD1 PHE A 15 8.103 1.620 1.430 1.00 0.00 C ATOM 265 CD2 PHE A 15 10.006 1.552 -0.005 1.00 0.00 C ATOM 266 CE1 PHE A 15 8.634 2.709 2.089 1.00 0.00 C ATOM 267 CE2 PHE A 15 10.543 2.643 0.651 1.00 0.00 C ATOM 268 CZ PHE A 15 9.855 3.222 1.700 1.00 0.00 C ATOM 0 H PHE A 15 5.730 1.498 -0.877 1.00 0.00 H new ATOM 0 HA PHE A 15 7.817 0.222 -2.421 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.664 -0.773 0.393 1.00 0.00 H new ATOM 0 HB3 PHE A 15 9.019 -0.770 -0.717 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.147 1.223 1.739 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.547 1.101 -0.824 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.095 3.160 2.909 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.498 3.042 0.344 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.272 4.075 2.215 1.00 0.00 H new ATOM 278 N ARG A 16 6.601 -2.053 -2.125 1.00 0.00 N ATOM 279 CA ARG A 16 5.718 -3.204 -2.281 1.00 0.00 C ATOM 280 C ARG A 16 6.528 -4.491 -2.162 1.00 0.00 C ATOM 281 O ARG A 16 7.729 -4.498 -2.434 1.00 0.00 O ATOM 282 CB ARG A 16 4.983 -3.152 -3.627 1.00 0.00 C ATOM 283 CG ARG A 16 5.797 -3.677 -4.804 1.00 0.00 C ATOM 284 CD ARG A 16 5.179 -3.277 -6.135 1.00 0.00 C ATOM 285 NE ARG A 16 4.928 -4.433 -6.994 1.00 0.00 N ATOM 286 CZ ARG A 16 5.820 -4.934 -7.848 1.00 0.00 C ATOM 287 NH1 ARG A 16 7.028 -4.394 -7.954 1.00 0.00 N ATOM 288 NH2 ARG A 16 5.503 -5.983 -8.594 1.00 0.00 N ATOM 0 H ARG A 16 7.553 -2.213 -2.453 1.00 0.00 H new ATOM 0 HA ARG A 16 4.968 -3.180 -1.491 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.063 -3.732 -3.549 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.694 -2.121 -3.831 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.815 -3.291 -4.744 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.864 -4.763 -4.745 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.242 -2.749 -5.955 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.843 -2.582 -6.648 1.00 0.00 H new ATOM 0 HE ARG A 16 4.015 -4.883 -6.936 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.279 -3.590 -7.379 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.705 -4.783 -8.610 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.578 -6.405 -8.514 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.184 -6.368 -9.248 1.00 0.00 H new ATOM 302 N ILE A 17 5.880 -5.576 -1.755 1.00 0.00 N ATOM 303 CA ILE A 17 6.579 -6.849 -1.608 1.00 0.00 C ATOM 304 C ILE A 17 5.644 -8.039 -1.813 1.00 0.00 C ATOM 305 O ILE A 17 4.591 -8.130 -1.179 1.00 0.00 O ATOM 306 CB ILE A 17 7.260 -6.975 -0.225 1.00 0.00 C ATOM 307 CG1 ILE A 17 6.518 -6.142 0.828 1.00 0.00 C ATOM 308 CG2 ILE A 17 8.718 -6.548 -0.319 1.00 0.00 C ATOM 309 CD1 ILE A 17 7.246 -6.050 2.154 1.00 0.00 C ATOM 0 H ILE A 17 4.887 -5.602 -1.524 1.00 0.00 H new ATOM 0 HA ILE A 17 7.345 -6.862 -2.384 1.00 0.00 H new ATOM 0 HB ILE A 17 7.221 -8.019 0.086 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.362 -5.136 0.439 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.532 -6.577 0.994 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.188 -6.641 0.660 1.00 0.00 H new ATOM 0 HG22 ILE A 17 9.239 -7.186 -1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.773 -5.511 -0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.662 -5.446 2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.379 -7.050 2.566 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.221 -5.587 2.002 1.00 0.00 H new ATOM 321 N PRO A 18 6.023 -8.976 -2.704 1.00 0.00 N ATOM 322 CA PRO A 18 5.228 -10.167 -2.991 1.00 0.00 C ATOM 323 C PRO A 18 5.551 -11.311 -2.039 1.00 0.00 C ATOM 324 O PRO A 18 6.491 -12.071 -2.268 1.00 0.00 O ATOM 325 CB PRO A 18 5.669 -10.516 -4.407 1.00 0.00 C ATOM 326 CG PRO A 18 7.104 -10.111 -4.462 1.00 0.00 C ATOM 327 CD PRO A 18 7.264 -8.953 -3.504 1.00 0.00 C ATOM 0 HA PRO A 18 4.157 -9.998 -2.881 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.549 -11.580 -4.609 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.077 -9.982 -5.150 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.752 -10.941 -4.178 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.385 -9.818 -5.474 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.146 -9.074 -2.875 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.379 -8.008 -4.036 1.00 0.00 H new ATOM 335 N PHE A 19 4.772 -11.432 -0.971 1.00 0.00 N ATOM 336 CA PHE A 19 4.992 -12.492 0.006 1.00 0.00 C ATOM 337 C PHE A 19 3.857 -13.505 -0.027 1.00 0.00 C ATOM 338 O PHE A 19 2.739 -13.189 -0.439 1.00 0.00 O ATOM 339 CB PHE A 19 5.135 -11.907 1.413 1.00 0.00 C ATOM 340 CG PHE A 19 3.929 -11.136 1.871 1.00 0.00 C ATOM 341 CD1 PHE A 19 2.747 -11.788 2.176 1.00 0.00 C ATOM 342 CD2 PHE A 19 3.983 -9.757 1.999 1.00 0.00 C ATOM 343 CE1 PHE A 19 1.639 -11.082 2.600 1.00 0.00 C ATOM 344 CE2 PHE A 19 2.877 -9.044 2.423 1.00 0.00 C ATOM 345 CZ PHE A 19 1.703 -9.708 2.724 1.00 0.00 C ATOM 0 H PHE A 19 3.988 -10.815 -0.760 1.00 0.00 H new ATOM 0 HA PHE A 19 5.918 -13.003 -0.256 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.326 -12.717 2.116 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.006 -11.252 1.438 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.691 -12.862 2.081 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.899 -9.234 1.765 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.723 -11.604 2.835 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.930 -7.970 2.519 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.837 -9.154 3.055 1.00 0.00 H new ATOM 355 N ILE A 20 4.152 -14.727 0.399 1.00 0.00 N ATOM 356 CA ILE A 20 3.155 -15.790 0.409 1.00 0.00 C ATOM 357 C ILE A 20 2.571 -15.988 1.799 1.00 0.00 C ATOM 358 O ILE A 20 3.220 -15.704 2.806 1.00 0.00 O ATOM 359 CB ILE A 20 3.739 -17.125 -0.084 1.00 0.00 C ATOM 360 CG1 ILE A 20 4.821 -16.863 -1.129 1.00 0.00 C ATOM 361 CG2 ILE A 20 2.635 -18.009 -0.654 1.00 0.00 C ATOM 362 CD1 ILE A 20 5.331 -18.109 -1.818 1.00 0.00 C ATOM 0 H ILE A 20 5.071 -15.006 0.741 1.00 0.00 H new ATOM 0 HA ILE A 20 2.365 -15.478 -0.273 1.00 0.00 H new ATOM 0 HB ILE A 20 4.190 -17.650 0.758 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.426 -16.181 -1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.659 -16.358 -0.649 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.064 -18.950 -0.999 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.894 -18.210 0.120 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.157 -17.500 -1.491 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.096 -17.836 -2.544 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.759 -18.785 -1.078 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.506 -18.606 -2.329 1.00 0.00 H new ATOM 374 N ARG A 21 1.343 -16.481 1.846 1.00 0.00 N ATOM 375 CA ARG A 21 0.667 -16.725 3.113 1.00 0.00 C ATOM 376 C ARG A 21 1.098 -18.067 3.700 1.00 0.00 C ATOM 377 O ARG A 21 1.164 -19.069 2.986 1.00 0.00 O ATOM 378 CB ARG A 21 -0.851 -16.694 2.922 1.00 0.00 C ATOM 379 CG ARG A 21 -1.446 -15.298 3.020 1.00 0.00 C ATOM 380 CD ARG A 21 -2.707 -15.286 3.870 1.00 0.00 C ATOM 381 NE ARG A 21 -3.036 -13.945 4.343 1.00 0.00 N ATOM 382 CZ ARG A 21 -3.613 -13.012 3.588 1.00 0.00 C ATOM 383 NH1 ARG A 21 -3.926 -13.272 2.326 1.00 0.00 N ATOM 384 NH2 ARG A 21 -3.877 -11.817 4.098 1.00 0.00 N ATOM 0 H ARG A 21 0.793 -16.721 1.021 1.00 0.00 H new ATOM 0 HA ARG A 21 0.948 -15.935 3.810 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.095 -17.117 1.948 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.317 -17.333 3.673 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.711 -14.618 3.449 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.677 -14.929 2.021 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.540 -15.679 3.288 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.574 -15.949 4.725 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.811 -13.708 5.309 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.725 -14.190 1.929 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.368 -12.554 1.752 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.638 -11.613 5.068 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.319 -11.102 3.520 1.00 0.00 H new ATOM 398 N PRO A 22 1.400 -18.108 5.012 1.00 0.00 N ATOM 399 CA PRO A 22 1.831 -19.332 5.693 1.00 0.00 C ATOM 400 C PRO A 22 1.065 -20.571 5.237 1.00 0.00 C ATOM 401 O PRO A 22 1.650 -21.530 4.722 1.00 0.00 O ATOM 402 CB PRO A 22 1.529 -19.021 7.157 1.00 0.00 C ATOM 403 CG PRO A 22 1.734 -17.550 7.272 1.00 0.00 C ATOM 404 CD PRO A 22 1.347 -16.959 5.939 1.00 0.00 C ATOM 0 HA PRO A 22 2.875 -19.571 5.488 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.510 -19.302 7.421 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.194 -19.569 7.825 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.123 -17.134 8.073 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.772 -17.320 7.512 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.351 -16.518 5.972 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.035 -16.170 5.637 1.00 0.00 H new ATOM 412 N ALA A 23 -0.247 -20.541 5.432 1.00 0.00 N ATOM 413 CA ALA A 23 -1.112 -21.651 5.054 1.00 0.00 C ATOM 414 C ALA A 23 -0.797 -22.163 3.657 1.00 0.00 C ATOM 415 O ALA A 23 -0.567 -23.354 3.455 1.00 0.00 O ATOM 416 CB ALA A 23 -2.571 -21.225 5.140 1.00 0.00 C ATOM 0 H ALA A 23 -0.739 -19.753 5.853 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.929 -22.468 5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.211 -22.060 4.856 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.802 -20.922 6.161 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.746 -20.388 4.465 1.00 0.00 H new ATOM 422 N ASP A 24 -0.809 -21.252 2.699 1.00 0.00 N ATOM 423 CA ASP A 24 -0.549 -21.592 1.303 1.00 0.00 C ATOM 424 C ASP A 24 0.849 -22.184 1.102 1.00 0.00 C ATOM 425 O ASP A 24 1.036 -23.089 0.285 1.00 0.00 O ATOM 426 CB ASP A 24 -0.718 -20.348 0.428 1.00 0.00 C ATOM 427 CG ASP A 24 -2.036 -20.345 -0.321 1.00 0.00 C ATOM 428 OD1 ASP A 24 -3.088 -20.177 0.330 1.00 0.00 O ATOM 429 OD2 ASP A 24 -2.017 -20.509 -1.559 1.00 0.00 O ATOM 0 H ASP A 24 -0.997 -20.263 2.861 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.271 -22.354 1.010 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.656 -19.457 1.052 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.103 -20.295 -0.287 1.00 0.00 H new ATOM 434 N GLN A 25 1.825 -21.660 1.835 1.00 0.00 N ATOM 435 CA GLN A 25 3.207 -22.124 1.718 1.00 0.00 C ATOM 436 C GLN A 25 3.321 -23.623 1.948 1.00 0.00 C ATOM 437 O GLN A 25 3.821 -24.358 1.095 1.00 0.00 O ATOM 438 CB GLN A 25 4.119 -21.392 2.706 1.00 0.00 C ATOM 439 CG GLN A 25 3.737 -19.942 2.937 1.00 0.00 C ATOM 440 CD GLN A 25 4.935 -19.056 3.212 1.00 0.00 C ATOM 441 OE1 GLN A 25 4.966 -18.324 4.202 1.00 0.00 O ATOM 442 NE2 GLN A 25 5.930 -19.115 2.335 1.00 0.00 N ATOM 0 H GLN A 25 1.687 -20.914 2.517 1.00 0.00 H new ATOM 0 HA GLN A 25 3.526 -21.903 0.699 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.101 -21.919 3.660 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.144 -21.433 2.338 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.207 -19.567 2.062 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.046 -19.883 3.778 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.863 -19.736 1.528 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.762 -18.540 2.468 1.00 0.00 H new ATOM 451 N TYR A 26 2.868 -24.073 3.109 1.00 0.00 N ATOM 452 CA TYR A 26 2.942 -25.495 3.445 1.00 0.00 C ATOM 453 C TYR A 26 1.732 -26.267 2.922 1.00 0.00 C ATOM 454 O TYR A 26 1.714 -27.497 2.960 1.00 0.00 O ATOM 455 CB TYR A 26 3.085 -25.705 4.957 1.00 0.00 C ATOM 456 CG TYR A 26 2.340 -24.696 5.799 1.00 0.00 C ATOM 457 CD1 TYR A 26 1.010 -24.896 6.140 1.00 0.00 C ATOM 458 CD2 TYR A 26 2.970 -23.545 6.255 1.00 0.00 C ATOM 459 CE1 TYR A 26 0.327 -23.977 6.910 1.00 0.00 C ATOM 460 CE2 TYR A 26 2.296 -22.621 7.027 1.00 0.00 C ATOM 461 CZ TYR A 26 0.973 -22.841 7.352 1.00 0.00 C ATOM 462 OH TYR A 26 0.296 -21.923 8.121 1.00 0.00 O ATOM 0 H TYR A 26 2.449 -23.485 3.830 1.00 0.00 H new ATOM 0 HA TYR A 26 3.832 -25.887 2.953 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.729 -26.704 5.208 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.143 -25.669 5.218 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.501 -25.785 5.797 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.005 -23.370 6.001 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.709 -24.146 7.165 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.801 -21.732 7.375 1.00 0.00 H new ATOM 0 HH TYR A 26 0.937 -21.316 8.546 1.00 0.00 H new ATOM 472 N LYS A 27 0.729 -25.551 2.424 1.00 0.00 N ATOM 473 CA LYS A 27 -0.463 -26.200 1.888 1.00 0.00 C ATOM 474 C LYS A 27 -0.137 -26.912 0.584 1.00 0.00 C ATOM 475 O LYS A 27 -0.548 -28.053 0.365 1.00 0.00 O ATOM 476 CB LYS A 27 -1.578 -25.178 1.659 1.00 0.00 C ATOM 477 CG LYS A 27 -2.564 -25.086 2.812 1.00 0.00 C ATOM 478 CD LYS A 27 -3.214 -23.715 2.877 1.00 0.00 C ATOM 479 CE LYS A 27 -4.609 -23.729 2.276 1.00 0.00 C ATOM 480 NZ LYS A 27 -5.589 -24.421 3.160 1.00 0.00 N ATOM 0 H LYS A 27 0.716 -24.532 2.380 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.807 -26.934 2.616 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.132 -24.197 1.494 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.119 -25.440 0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.333 -25.850 2.697 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.049 -25.291 3.750 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.267 -23.386 3.915 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.595 -22.993 2.345 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.939 -22.705 2.100 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.581 -24.226 1.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.555 -24.222 2.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.418 -25.446 3.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.479 -24.078 4.136 1.00 0.00 H new ATOM 494 N ASP A 28 0.611 -26.232 -0.278 1.00 0.00 N ATOM 495 CA ASP A 28 0.998 -26.801 -1.564 1.00 0.00 C ATOM 496 C ASP A 28 1.969 -25.877 -2.298 1.00 0.00 C ATOM 497 O ASP A 28 1.795 -24.659 -2.298 1.00 0.00 O ATOM 498 CB ASP A 28 -0.239 -27.053 -2.427 1.00 0.00 C ATOM 499 CG ASP A 28 -0.074 -28.252 -3.336 1.00 0.00 C ATOM 500 OD1 ASP A 28 0.302 -29.332 -2.833 1.00 0.00 O ATOM 501 OD2 ASP A 28 -0.323 -28.115 -4.554 1.00 0.00 O ATOM 0 H ASP A 28 0.961 -25.289 -0.110 1.00 0.00 H new ATOM 0 HA ASP A 28 1.500 -27.750 -1.378 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.104 -27.206 -1.782 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.444 -26.169 -3.030 1.00 0.00 H new ATOM 506 N PRO A 29 3.007 -26.446 -2.937 1.00 0.00 N ATOM 507 CA PRO A 29 4.003 -25.664 -3.676 1.00 0.00 C ATOM 508 C PRO A 29 3.421 -25.011 -4.924 1.00 0.00 C ATOM 509 O PRO A 29 3.948 -24.013 -5.416 1.00 0.00 O ATOM 510 CB PRO A 29 5.062 -26.697 -4.056 1.00 0.00 C ATOM 511 CG PRO A 29 4.338 -27.994 -4.064 1.00 0.00 C ATOM 512 CD PRO A 29 3.293 -27.891 -2.990 1.00 0.00 C ATOM 0 HA PRO A 29 4.392 -24.838 -3.080 1.00 0.00 H new ATOM 0 HB2 PRO A 29 5.495 -26.479 -5.032 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.882 -26.706 -3.338 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.881 -28.180 -5.036 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.019 -28.822 -3.868 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.403 -28.469 -3.238 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.660 -28.264 -2.034 1.00 0.00 H new ATOM 520 N GLN A 30 2.334 -25.579 -5.434 1.00 0.00 N ATOM 521 CA GLN A 30 1.683 -25.050 -6.626 1.00 0.00 C ATOM 522 C GLN A 30 0.528 -24.128 -6.254 1.00 0.00 C ATOM 523 O GLN A 30 0.327 -23.084 -6.875 1.00 0.00 O ATOM 524 CB GLN A 30 1.174 -26.194 -7.506 1.00 0.00 C ATOM 525 CG GLN A 30 2.277 -26.914 -8.265 1.00 0.00 C ATOM 526 CD GLN A 30 2.610 -26.243 -9.584 1.00 0.00 C ATOM 527 OE1 GLN A 30 3.752 -25.851 -9.824 1.00 0.00 O ATOM 528 NE2 GLN A 30 1.610 -26.107 -10.448 1.00 0.00 N ATOM 0 H GLN A 30 1.885 -26.406 -5.040 1.00 0.00 H new ATOM 0 HA GLN A 30 2.420 -24.472 -7.183 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.644 -26.914 -6.882 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.451 -25.799 -8.220 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.173 -26.954 -7.645 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.972 -27.944 -8.452 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.679 -26.447 -10.208 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.774 -25.663 -11.352 1.00 0.00 H new ATOM 537 N ASN A 31 -0.229 -24.521 -5.236 1.00 0.00 N ATOM 538 CA ASN A 31 -1.368 -23.732 -4.779 1.00 0.00 C ATOM 539 C ASN A 31 -0.964 -22.798 -3.641 1.00 0.00 C ATOM 540 O ASN A 31 -1.636 -22.730 -2.612 1.00 0.00 O ATOM 541 CB ASN A 31 -2.505 -24.649 -4.322 1.00 0.00 C ATOM 542 CG ASN A 31 -3.166 -25.369 -5.480 1.00 0.00 C ATOM 543 OD1 ASN A 31 -4.332 -25.125 -5.793 1.00 0.00 O ATOM 544 ND2 ASN A 31 -2.425 -26.262 -6.125 1.00 0.00 N ATOM 0 H ASN A 31 -0.075 -25.382 -4.711 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.715 -23.127 -5.617 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.115 -25.383 -3.616 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.252 -24.060 -3.790 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.818 -26.777 -6.913 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.463 -26.433 -5.832 1.00 0.00 H new ATOM 551 N LYS A 32 0.136 -22.078 -3.834 1.00 0.00 N ATOM 552 CA LYS A 32 0.623 -21.145 -2.822 1.00 0.00 C ATOM 553 C LYS A 32 0.440 -19.701 -3.287 1.00 0.00 C ATOM 554 O LYS A 32 1.410 -18.960 -3.443 1.00 0.00 O ATOM 555 CB LYS A 32 2.098 -21.413 -2.492 1.00 0.00 C ATOM 556 CG LYS A 32 2.856 -22.145 -3.588 1.00 0.00 C ATOM 557 CD LYS A 32 2.955 -21.309 -4.855 1.00 0.00 C ATOM 558 CE LYS A 32 4.399 -21.135 -5.300 1.00 0.00 C ATOM 559 NZ LYS A 32 4.499 -20.845 -6.758 1.00 0.00 N ATOM 0 H LYS A 32 0.706 -22.122 -4.679 1.00 0.00 H new ATOM 0 HA LYS A 32 0.036 -21.297 -1.916 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.594 -20.462 -2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.153 -21.998 -1.574 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.857 -22.393 -3.236 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.355 -23.087 -3.811 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.383 -21.785 -5.651 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.507 -20.331 -4.682 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.858 -20.323 -4.736 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.961 -22.040 -5.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.499 -20.733 -7.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.084 -21.631 -7.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.984 -19.968 -6.974 1.00 0.00 H new ATOM 573 N LYS A 33 -0.816 -19.314 -3.505 1.00 0.00 N ATOM 574 CA LYS A 33 -1.150 -17.962 -3.953 1.00 0.00 C ATOM 575 C LYS A 33 -0.274 -16.911 -3.275 1.00 0.00 C ATOM 576 O LYS A 33 -0.041 -16.967 -2.067 1.00 0.00 O ATOM 577 CB LYS A 33 -2.625 -17.663 -3.674 1.00 0.00 C ATOM 578 CG LYS A 33 -3.557 -18.089 -4.798 1.00 0.00 C ATOM 579 CD LYS A 33 -4.331 -19.346 -4.436 1.00 0.00 C ATOM 580 CE LYS A 33 -3.711 -20.584 -5.062 1.00 0.00 C ATOM 581 NZ LYS A 33 -3.998 -20.670 -6.522 1.00 0.00 N ATOM 0 H LYS A 33 -1.625 -19.922 -3.378 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.964 -17.915 -5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.922 -18.169 -2.756 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.744 -16.593 -3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.255 -17.282 -5.018 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.978 -18.266 -5.704 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.356 -19.459 -3.352 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.364 -19.247 -4.770 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.633 -20.570 -4.904 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.094 -21.474 -4.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.662 -21.583 -6.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.023 -20.590 -6.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.510 -19.897 -7.018 1.00 0.00 H new ATOM 595 N LYS A 34 0.215 -15.961 -4.064 1.00 0.00 N ATOM 596 CA LYS A 34 1.070 -14.904 -3.544 1.00 0.00 C ATOM 597 C LYS A 34 0.319 -13.582 -3.431 1.00 0.00 C ATOM 598 O LYS A 34 -0.491 -13.241 -4.294 1.00 0.00 O ATOM 599 CB LYS A 34 2.301 -14.736 -4.428 1.00 0.00 C ATOM 600 CG LYS A 34 3.563 -15.234 -3.764 1.00 0.00 C ATOM 601 CD LYS A 34 4.691 -15.388 -4.758 1.00 0.00 C ATOM 602 CE LYS A 34 4.395 -16.494 -5.753 1.00 0.00 C ATOM 603 NZ LYS A 34 5.590 -16.845 -6.570 1.00 0.00 N ATOM 0 H LYS A 34 0.033 -15.902 -5.066 1.00 0.00 H new ATOM 0 HA LYS A 34 1.386 -15.195 -2.542 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.149 -15.275 -5.363 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.420 -13.683 -4.683 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.861 -14.538 -2.980 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.368 -16.192 -3.283 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.843 -14.448 -5.289 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.618 -15.609 -4.229 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.049 -17.379 -5.219 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.585 -16.182 -6.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.344 -17.604 -7.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.906 -16.008 -7.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.355 -17.168 -5.944 1.00 0.00 H new ATOM 617 N GLY A 35 0.592 -12.844 -2.361 1.00 0.00 N ATOM 618 CA GLY A 35 -0.064 -11.568 -2.152 1.00 0.00 C ATOM 619 C GLY A 35 0.895 -10.399 -2.252 1.00 0.00 C ATOM 620 O GLY A 35 2.001 -10.442 -1.710 1.00 0.00 O ATOM 0 H GLY A 35 1.257 -13.108 -1.634 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.858 -11.446 -2.889 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.537 -11.563 -1.170 1.00 0.00 H new ATOM 624 N TRP A 36 0.471 -9.349 -2.951 1.00 0.00 N ATOM 625 CA TRP A 36 1.295 -8.161 -3.123 1.00 0.00 C ATOM 626 C TRP A 36 0.863 -7.059 -2.166 1.00 0.00 C ATOM 627 O TRP A 36 -0.224 -6.498 -2.297 1.00 0.00 O ATOM 628 CB TRP A 36 1.211 -7.658 -4.565 1.00 0.00 C ATOM 629 CG TRP A 36 1.672 -8.671 -5.566 1.00 0.00 C ATOM 630 CD1 TRP A 36 2.963 -8.971 -5.886 1.00 0.00 C ATOM 631 CD2 TRP A 36 0.847 -9.517 -6.372 1.00 0.00 C ATOM 632 NE1 TRP A 36 2.993 -9.958 -6.840 1.00 0.00 N ATOM 633 CE2 TRP A 36 1.706 -10.310 -7.156 1.00 0.00 C ATOM 634 CE3 TRP A 36 -0.535 -9.684 -6.504 1.00 0.00 C ATOM 635 CZ2 TRP A 36 1.228 -11.255 -8.059 1.00 0.00 C ATOM 636 CZ3 TRP A 36 -1.008 -10.622 -7.403 1.00 0.00 C ATOM 637 CH2 TRP A 36 -0.128 -11.398 -8.171 1.00 0.00 C ATOM 0 H TRP A 36 -0.440 -9.299 -3.407 1.00 0.00 H new ATOM 0 HA TRP A 36 2.327 -8.431 -2.899 1.00 0.00 H new ATOM 0 HB2 TRP A 36 0.181 -7.379 -4.787 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.815 -6.756 -4.665 1.00 0.00 H new ATOM 0 HD1 TRP A 36 3.834 -8.501 -5.453 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.836 -10.363 -7.247 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.220 -9.092 -5.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.904 -11.855 -8.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.073 -10.759 -7.516 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.528 -12.123 -8.864 1.00 0.00 H new ATOM 648 N TRP A 37 1.720 -6.755 -1.200 1.00 0.00 N ATOM 649 CA TRP A 37 1.424 -5.720 -0.219 1.00 0.00 C ATOM 650 C TRP A 37 2.028 -4.387 -0.640 1.00 0.00 C ATOM 651 O TRP A 37 3.247 -4.254 -0.754 1.00 0.00 O ATOM 652 CB TRP A 37 1.960 -6.130 1.154 1.00 0.00 C ATOM 653 CG TRP A 37 1.644 -5.148 2.240 1.00 0.00 C ATOM 654 CD1 TRP A 37 0.412 -4.849 2.745 1.00 0.00 C ATOM 655 CD2 TRP A 37 2.580 -4.336 2.957 1.00 0.00 C ATOM 656 NE1 TRP A 37 0.526 -3.901 3.736 1.00 0.00 N ATOM 657 CE2 TRP A 37 1.848 -3.570 3.884 1.00 0.00 C ATOM 658 CE3 TRP A 37 3.969 -4.184 2.905 1.00 0.00 C ATOM 659 CZ2 TRP A 37 2.458 -2.667 4.752 1.00 0.00 C ATOM 660 CZ3 TRP A 37 4.574 -3.288 3.766 1.00 0.00 C ATOM 661 CH2 TRP A 37 3.819 -2.541 4.679 1.00 0.00 C ATOM 0 H TRP A 37 2.624 -7.210 -1.075 1.00 0.00 H new ATOM 0 HA TRP A 37 0.342 -5.602 -0.159 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.544 -7.101 1.422 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.041 -6.253 1.091 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.516 -5.291 2.415 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.247 -3.509 4.273 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.559 -4.757 2.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.879 -2.088 5.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.646 -3.162 3.734 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.322 -1.850 5.340 1.00 0.00 H new ATOM 672 N TYR A 38 1.165 -3.400 -0.864 1.00 0.00 N ATOM 673 CA TYR A 38 1.604 -2.069 -1.266 1.00 0.00 C ATOM 674 C TYR A 38 1.481 -1.095 -0.100 1.00 0.00 C ATOM 675 O TYR A 38 0.638 -1.272 0.778 1.00 0.00 O ATOM 676 CB TYR A 38 0.773 -1.557 -2.444 1.00 0.00 C ATOM 677 CG TYR A 38 1.019 -2.288 -3.745 1.00 0.00 C ATOM 678 CD1 TYR A 38 0.672 -3.624 -3.891 1.00 0.00 C ATOM 679 CD2 TYR A 38 1.589 -1.635 -4.832 1.00 0.00 C ATOM 680 CE1 TYR A 38 0.884 -4.291 -5.084 1.00 0.00 C ATOM 681 CE2 TYR A 38 1.806 -2.295 -6.027 1.00 0.00 C ATOM 682 CZ TYR A 38 1.451 -3.622 -6.147 1.00 0.00 C ATOM 683 OH TYR A 38 1.664 -4.282 -7.335 1.00 0.00 O ATOM 0 H TYR A 38 0.154 -3.499 -0.773 1.00 0.00 H new ATOM 0 HA TYR A 38 2.648 -2.138 -1.571 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.284 -1.638 -2.190 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.986 -0.498 -2.590 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.229 -4.152 -3.059 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.867 -0.595 -4.741 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.607 -5.330 -5.182 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.251 -1.774 -6.862 1.00 0.00 H new ATOM 0 HH TYR A 38 2.070 -3.668 -7.982 1.00 0.00 H new ATOM 693 N ALA A 39 2.316 -0.064 -0.101 1.00 0.00 N ATOM 694 CA ALA A 39 2.283 0.934 0.962 1.00 0.00 C ATOM 695 C ALA A 39 3.018 2.200 0.558 1.00 0.00 C ATOM 696 O ALA A 39 4.203 2.172 0.223 1.00 0.00 O ATOM 697 CB ALA A 39 2.877 0.360 2.238 1.00 0.00 C ATOM 0 H ALA A 39 3.020 0.103 -0.820 1.00 0.00 H new ATOM 0 HA ALA A 39 1.241 1.199 1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.847 1.114 3.025 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.300 -0.511 2.548 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.911 0.065 2.057 1.00 0.00 H new ATOM 703 N HIS A 40 2.305 3.314 0.617 1.00 0.00 N ATOM 704 CA HIS A 40 2.869 4.610 0.288 1.00 0.00 C ATOM 705 C HIS A 40 3.240 5.326 1.580 1.00 0.00 C ATOM 706 O HIS A 40 2.437 6.073 2.145 1.00 0.00 O ATOM 707 CB HIS A 40 1.861 5.425 -0.534 1.00 0.00 C ATOM 708 CG HIS A 40 2.151 6.894 -0.610 1.00 0.00 C ATOM 709 ND1 HIS A 40 1.258 7.802 -1.135 1.00 0.00 N ATOM 710 CD2 HIS A 40 3.237 7.612 -0.233 1.00 0.00 C ATOM 711 CE1 HIS A 40 1.780 9.014 -1.079 1.00 0.00 C ATOM 712 NE2 HIS A 40 2.979 8.926 -0.535 1.00 0.00 N ATOM 0 H HIS A 40 1.324 3.344 0.893 1.00 0.00 H new ATOM 0 HA HIS A 40 3.768 4.489 -0.317 1.00 0.00 H new ATOM 0 HB2 HIS A 40 1.830 5.023 -1.547 1.00 0.00 H new ATOM 0 HB3 HIS A 40 0.868 5.287 -0.105 1.00 0.00 H new ATOM 0 HD1 HIS A 40 0.337 7.574 -1.509 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.137 7.223 0.220 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.306 9.922 -1.420 1.00 0.00 H new ATOM 721 N PHE A 41 4.450 5.058 2.056 1.00 0.00 N ATOM 722 CA PHE A 41 4.930 5.642 3.298 1.00 0.00 C ATOM 723 C PHE A 41 5.234 7.130 3.143 1.00 0.00 C ATOM 724 O PHE A 41 5.510 7.615 2.047 1.00 0.00 O ATOM 725 CB PHE A 41 6.183 4.909 3.785 1.00 0.00 C ATOM 726 CG PHE A 41 5.896 3.663 4.570 1.00 0.00 C ATOM 727 CD1 PHE A 41 5.153 2.633 4.018 1.00 0.00 C ATOM 728 CD2 PHE A 41 6.368 3.527 5.866 1.00 0.00 C ATOM 729 CE1 PHE A 41 4.886 1.487 4.745 1.00 0.00 C ATOM 730 CE2 PHE A 41 6.102 2.384 6.598 1.00 0.00 C ATOM 731 CZ PHE A 41 5.360 1.365 6.037 1.00 0.00 C ATOM 0 H PHE A 41 5.117 4.438 1.597 1.00 0.00 H new ATOM 0 HA PHE A 41 4.135 5.533 4.036 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.797 4.649 2.923 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.771 5.588 4.403 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.778 2.725 3.009 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.950 4.322 6.309 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.308 0.689 4.303 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.475 2.289 7.607 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.150 0.472 6.608 1.00 0.00 H new ATOM 741 N ASP A 42 5.199 7.837 4.267 1.00 0.00 N ATOM 742 CA ASP A 42 5.484 9.262 4.307 1.00 0.00 C ATOM 743 C ASP A 42 6.495 9.529 5.411 1.00 0.00 C ATOM 744 O ASP A 42 6.236 9.243 6.581 1.00 0.00 O ATOM 745 CB ASP A 42 4.200 10.060 4.557 1.00 0.00 C ATOM 746 CG ASP A 42 4.461 11.542 4.754 1.00 0.00 C ATOM 747 OD1 ASP A 42 5.078 11.904 5.777 1.00 0.00 O ATOM 748 OD2 ASP A 42 4.050 12.338 3.885 1.00 0.00 O ATOM 0 H ASP A 42 4.972 7.435 5.176 1.00 0.00 H new ATOM 0 HA ASP A 42 5.895 9.578 3.348 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.522 9.923 3.714 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.696 9.664 5.439 1.00 0.00 H new ATOM 753 N GLY A 43 7.662 10.045 5.041 1.00 0.00 N ATOM 754 CA GLY A 43 8.686 10.293 6.036 1.00 0.00 C ATOM 755 C GLY A 43 9.057 9.011 6.760 1.00 0.00 C ATOM 756 O GLY A 43 9.205 7.966 6.126 1.00 0.00 O ATOM 0 H GLY A 43 7.914 10.293 4.084 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.570 10.714 5.557 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.330 11.032 6.754 1.00 0.00 H new ATOM 760 N PRO A 44 9.205 9.049 8.090 1.00 0.00 N ATOM 761 CA PRO A 44 9.549 7.864 8.877 1.00 0.00 C ATOM 762 C PRO A 44 8.373 6.895 9.013 1.00 0.00 C ATOM 763 O PRO A 44 8.548 5.744 9.414 1.00 0.00 O ATOM 764 CB PRO A 44 9.932 8.436 10.255 1.00 0.00 C ATOM 765 CG PRO A 44 9.962 9.922 10.090 1.00 0.00 C ATOM 766 CD PRO A 44 9.051 10.233 8.940 1.00 0.00 C ATOM 0 HA PRO A 44 10.345 7.287 8.407 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.208 8.142 11.015 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.903 8.059 10.578 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.626 10.422 10.999 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.975 10.271 9.890 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.019 10.369 9.264 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.346 11.146 8.423 1.00 0.00 H new ATOM 774 N TRP A 45 7.169 7.374 8.705 1.00 0.00 N ATOM 775 CA TRP A 45 5.959 6.567 8.822 1.00 0.00 C ATOM 776 C TRP A 45 5.247 6.415 7.475 1.00 0.00 C ATOM 777 O TRP A 45 5.868 6.553 6.422 1.00 0.00 O ATOM 778 CB TRP A 45 5.040 7.216 9.852 1.00 0.00 C ATOM 779 CG TRP A 45 5.810 7.991 10.875 1.00 0.00 C ATOM 780 CD1 TRP A 45 6.334 9.242 10.734 1.00 0.00 C ATOM 781 CD2 TRP A 45 6.177 7.546 12.178 1.00 0.00 C ATOM 782 NE1 TRP A 45 6.999 9.603 11.878 1.00 0.00 N ATOM 783 CE2 TRP A 45 6.912 8.580 12.784 1.00 0.00 C ATOM 784 CE3 TRP A 45 5.946 6.374 12.889 1.00 0.00 C ATOM 785 CZ2 TRP A 45 7.419 8.471 14.077 1.00 0.00 C ATOM 786 CZ3 TRP A 45 6.449 6.262 14.172 1.00 0.00 C ATOM 787 CH2 TRP A 45 7.177 7.307 14.756 1.00 0.00 C ATOM 0 H TRP A 45 7.007 8.324 8.370 1.00 0.00 H new ATOM 0 HA TRP A 45 6.231 5.563 9.147 1.00 0.00 H new ATOM 0 HB2 TRP A 45 4.338 7.879 9.346 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.449 6.446 10.348 1.00 0.00 H new ATOM 0 HD1 TRP A 45 6.239 9.858 9.852 1.00 0.00 H new ATOM 0 HE1 TRP A 45 7.480 10.490 12.029 1.00 0.00 H new ATOM 0 HE3 TRP A 45 5.383 5.565 12.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.982 9.275 14.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.278 5.355 14.733 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.555 7.192 15.761 1.00 0.00 H new ATOM 798 N ILE A 46 3.946 6.116 7.514 1.00 0.00 N ATOM 799 CA ILE A 46 3.171 5.933 6.289 1.00 0.00 C ATOM 800 C ILE A 46 1.799 6.591 6.375 1.00 0.00 C ATOM 801 O ILE A 46 1.266 6.812 7.462 1.00 0.00 O ATOM 802 CB ILE A 46 3.009 4.435 5.954 1.00 0.00 C ATOM 803 CG1 ILE A 46 2.015 4.222 4.809 1.00 0.00 C ATOM 804 CG2 ILE A 46 2.576 3.661 7.182 1.00 0.00 C ATOM 805 CD1 ILE A 46 1.884 2.773 4.392 1.00 0.00 C ATOM 0 H ILE A 46 3.412 5.997 8.375 1.00 0.00 H new ATOM 0 HA ILE A 46 3.730 6.420 5.490 1.00 0.00 H new ATOM 0 HB ILE A 46 3.979 4.061 5.627 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.037 4.596 5.112 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.330 4.813 3.949 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.467 2.607 6.928 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.327 3.770 7.964 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.622 4.049 7.539 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.165 2.693 3.577 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.853 2.401 4.059 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.540 2.180 5.240 1.00 0.00 H new ATOM 817 N ALA A 47 1.237 6.902 5.207 1.00 0.00 N ATOM 818 CA ALA A 47 -0.070 7.541 5.131 1.00 0.00 C ATOM 819 C ALA A 47 -1.010 6.820 4.161 1.00 0.00 C ATOM 820 O ALA A 47 -2.217 7.054 4.182 1.00 0.00 O ATOM 821 CB ALA A 47 0.086 8.998 4.723 1.00 0.00 C ATOM 0 H ALA A 47 1.670 6.720 4.301 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.520 7.485 6.122 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.896 9.468 4.669 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.697 9.519 5.460 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.569 9.053 3.747 1.00 0.00 H new ATOM 827 N ARG A 48 -0.468 5.947 3.307 1.00 0.00 N ATOM 828 CA ARG A 48 -1.297 5.223 2.350 1.00 0.00 C ATOM 829 C ARG A 48 -0.895 3.754 2.290 1.00 0.00 C ATOM 830 O ARG A 48 0.290 3.425 2.311 1.00 0.00 O ATOM 831 CB ARG A 48 -1.182 5.859 0.963 1.00 0.00 C ATOM 832 CG ARG A 48 -2.384 6.706 0.580 1.00 0.00 C ATOM 833 CD ARG A 48 -2.507 6.850 -0.929 1.00 0.00 C ATOM 834 NE ARG A 48 -3.552 7.797 -1.306 1.00 0.00 N ATOM 835 CZ ARG A 48 -3.667 8.332 -2.520 1.00 0.00 C ATOM 836 NH1 ARG A 48 -2.802 8.020 -3.477 1.00 0.00 N ATOM 837 NH2 ARG A 48 -4.651 9.183 -2.778 1.00 0.00 N ATOM 0 H ARG A 48 0.527 5.729 3.261 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.334 5.282 2.681 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.286 6.479 0.930 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.052 5.071 0.221 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.292 6.252 0.978 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.295 7.693 1.035 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -1.553 7.180 -1.340 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -2.724 5.877 -1.369 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.235 8.065 -0.597 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -2.043 7.366 -3.285 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.896 8.434 -4.405 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.319 9.427 -2.047 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.740 9.593 -3.708 1.00 0.00 H new ATOM 851 N GLN A 49 -1.888 2.873 2.224 1.00 0.00 N ATOM 852 CA GLN A 49 -1.629 1.440 2.168 1.00 0.00 C ATOM 853 C GLN A 49 -2.674 0.723 1.321 1.00 0.00 C ATOM 854 O GLN A 49 -3.876 0.919 1.501 1.00 0.00 O ATOM 855 CB GLN A 49 -1.611 0.854 3.581 1.00 0.00 C ATOM 856 CG GLN A 49 -1.012 -0.542 3.655 1.00 0.00 C ATOM 857 CD GLN A 49 -2.054 -1.610 3.916 1.00 0.00 C ATOM 858 OE1 GLN A 49 -2.882 -1.909 3.056 1.00 0.00 O ATOM 859 NE2 GLN A 49 -2.018 -2.194 5.110 1.00 0.00 N ATOM 0 H GLN A 49 -2.876 3.126 2.208 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.654 1.291 1.703 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.044 1.518 4.233 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.631 0.823 3.965 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.497 -0.763 2.720 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.262 -0.570 4.446 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.314 -1.915 5.793 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.694 -2.921 5.343 1.00 0.00 H new ATOM 868 N MET A 50 -2.207 -0.111 0.398 1.00 0.00 N ATOM 869 CA MET A 50 -3.096 -0.864 -0.478 1.00 0.00 C ATOM 870 C MET A 50 -2.760 -2.351 -0.434 1.00 0.00 C ATOM 871 O MET A 50 -1.694 -2.771 -0.882 1.00 0.00 O ATOM 872 CB MET A 50 -2.990 -0.347 -1.913 1.00 0.00 C ATOM 873 CG MET A 50 -4.232 -0.618 -2.749 1.00 0.00 C ATOM 874 SD MET A 50 -3.882 -1.587 -4.230 1.00 0.00 S ATOM 875 CE MET A 50 -2.551 -0.628 -4.951 1.00 0.00 C ATOM 0 H MET A 50 -1.214 -0.283 0.237 1.00 0.00 H new ATOM 0 HA MET A 50 -4.119 -0.727 -0.127 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.804 0.727 -1.891 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.129 -0.810 -2.395 1.00 0.00 H new ATOM 0 HG2 MET A 50 -4.966 -1.146 -2.140 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.683 0.331 -3.040 1.00 0.00 H new ATOM 0 HE1 MET A 50 -2.343 -0.993 -5.957 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.843 0.421 -4.999 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.656 -0.728 -4.337 1.00 0.00 H new ATOM 885 N GLU A 51 -3.676 -3.143 0.113 1.00 0.00 N ATOM 886 CA GLU A 51 -3.474 -4.586 0.221 1.00 0.00 C ATOM 887 C GLU A 51 -4.003 -5.308 -1.016 1.00 0.00 C ATOM 888 O GLU A 51 -5.194 -5.249 -1.319 1.00 0.00 O ATOM 889 CB GLU A 51 -4.163 -5.125 1.476 1.00 0.00 C ATOM 890 CG GLU A 51 -3.303 -6.074 2.292 1.00 0.00 C ATOM 891 CD GLU A 51 -2.726 -5.420 3.532 1.00 0.00 C ATOM 892 OE1 GLU A 51 -2.220 -4.283 3.423 1.00 0.00 O ATOM 893 OE2 GLU A 51 -2.781 -6.044 4.613 1.00 0.00 O ATOM 0 H GLU A 51 -4.565 -2.812 0.488 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.402 -4.772 0.294 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.458 -4.285 2.106 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.078 -5.640 1.183 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.900 -6.937 2.586 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.489 -6.446 1.670 1.00 0.00 H new ATOM 900 N LEU A 52 -3.109 -5.995 -1.722 1.00 0.00 N ATOM 901 CA LEU A 52 -3.485 -6.735 -2.924 1.00 0.00 C ATOM 902 C LEU A 52 -3.166 -8.218 -2.769 1.00 0.00 C ATOM 903 O LEU A 52 -2.010 -8.627 -2.884 1.00 0.00 O ATOM 904 CB LEU A 52 -2.752 -6.176 -4.147 1.00 0.00 C ATOM 905 CG LEU A 52 -3.203 -4.786 -4.601 1.00 0.00 C ATOM 906 CD1 LEU A 52 -2.148 -4.148 -5.493 1.00 0.00 C ATOM 907 CD2 LEU A 52 -4.538 -4.870 -5.327 1.00 0.00 C ATOM 0 H LEU A 52 -2.119 -6.055 -1.483 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.559 -6.620 -3.067 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.685 -6.139 -3.925 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.882 -6.871 -4.977 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.331 -4.159 -3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.486 -3.160 -5.806 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.213 -4.054 -4.941 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.989 -4.773 -6.372 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.844 -3.873 -5.643 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.437 -5.513 -6.202 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.291 -5.285 -4.657 1.00 0.00 H new ATOM 919 N HIS A 53 -4.192 -9.023 -2.507 1.00 0.00 N ATOM 920 CA HIS A 53 -4.006 -10.461 -2.337 1.00 0.00 C ATOM 921 C HIS A 53 -5.009 -11.245 -3.184 1.00 0.00 C ATOM 922 O HIS A 53 -6.191 -10.909 -3.228 1.00 0.00 O ATOM 923 CB HIS A 53 -4.158 -10.846 -0.865 1.00 0.00 C ATOM 924 CG HIS A 53 -3.144 -10.204 0.029 1.00 0.00 C ATOM 925 ND1 HIS A 53 -2.265 -10.926 0.810 1.00 0.00 N ATOM 926 CD2 HIS A 53 -2.870 -8.899 0.266 1.00 0.00 C ATOM 927 CE1 HIS A 53 -1.495 -10.092 1.489 1.00 0.00 C ATOM 928 NE2 HIS A 53 -1.842 -8.858 1.176 1.00 0.00 N ATOM 0 H HIS A 53 -5.156 -8.706 -2.408 1.00 0.00 H new ATOM 0 HA HIS A 53 -2.999 -10.712 -2.670 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.156 -10.569 -0.527 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.079 -11.929 -0.771 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -2.217 -11.944 0.856 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -3.367 -8.049 -0.178 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.715 -10.373 2.181 1.00 0.00 H new ATOM 937 N PRO A 54 -4.549 -12.309 -3.868 1.00 0.00 N ATOM 938 CA PRO A 54 -5.420 -13.138 -4.710 1.00 0.00 C ATOM 939 C PRO A 54 -6.656 -13.622 -3.962 1.00 0.00 C ATOM 940 O PRO A 54 -7.691 -13.903 -4.567 1.00 0.00 O ATOM 941 CB PRO A 54 -4.528 -14.323 -5.089 1.00 0.00 C ATOM 942 CG PRO A 54 -3.138 -13.797 -4.990 1.00 0.00 C ATOM 943 CD PRO A 54 -3.155 -12.791 -3.873 1.00 0.00 C ATOM 0 HA PRO A 54 -5.803 -12.585 -5.568 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.681 -15.166 -4.415 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.747 -14.677 -6.096 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.431 -14.600 -4.781 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.828 -13.335 -5.927 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.883 -13.244 -2.920 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.450 -11.979 -4.052 1.00 0.00 H new ATOM 951 N ASP A 55 -6.541 -13.720 -2.641 1.00 0.00 N ATOM 952 CA ASP A 55 -7.651 -14.170 -1.809 1.00 0.00 C ATOM 953 C ASP A 55 -8.441 -12.987 -1.259 1.00 0.00 C ATOM 954 O ASP A 55 -9.639 -13.100 -0.996 1.00 0.00 O ATOM 955 CB ASP A 55 -7.133 -15.032 -0.654 1.00 0.00 C ATOM 956 CG ASP A 55 -5.980 -14.379 0.085 1.00 0.00 C ATOM 957 OD1 ASP A 55 -6.067 -13.165 0.365 1.00 0.00 O ATOM 958 OD2 ASP A 55 -4.992 -15.082 0.383 1.00 0.00 O ATOM 0 H ASP A 55 -5.691 -13.494 -2.124 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.317 -14.767 -2.432 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.947 -15.224 0.045 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.811 -15.999 -1.042 1.00 0.00 H new ATOM 963 N LYS A 56 -7.766 -11.855 -1.088 1.00 0.00 N ATOM 964 CA LYS A 56 -8.410 -10.656 -0.569 1.00 0.00 C ATOM 965 C LYS A 56 -8.326 -9.508 -1.574 1.00 0.00 C ATOM 966 O LYS A 56 -7.232 -9.075 -1.942 1.00 0.00 O ATOM 967 CB LYS A 56 -7.767 -10.239 0.753 1.00 0.00 C ATOM 968 CG LYS A 56 -8.179 -11.110 1.928 1.00 0.00 C ATOM 969 CD LYS A 56 -6.991 -11.458 2.810 1.00 0.00 C ATOM 970 CE LYS A 56 -7.428 -11.805 4.224 1.00 0.00 C ATOM 971 NZ LYS A 56 -7.597 -13.273 4.409 1.00 0.00 N ATOM 0 H LYS A 56 -6.775 -11.744 -1.301 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.462 -10.886 -0.398 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.683 -10.274 0.648 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.033 -9.204 0.967 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.933 -10.591 2.520 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.639 -12.026 1.559 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.451 -12.300 2.378 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.299 -10.616 2.838 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.690 -11.432 4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.368 -11.300 4.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.895 -13.468 5.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.320 -13.625 3.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.694 -13.753 4.221 1.00 0.00 H new ATOM 985 N PRO A 57 -9.483 -8.992 -2.032 1.00 0.00 N ATOM 986 CA PRO A 57 -9.528 -7.887 -2.996 1.00 0.00 C ATOM 987 C PRO A 57 -8.620 -6.730 -2.587 1.00 0.00 C ATOM 988 O PRO A 57 -8.085 -6.717 -1.479 1.00 0.00 O ATOM 989 CB PRO A 57 -10.996 -7.456 -2.967 1.00 0.00 C ATOM 990 CG PRO A 57 -11.742 -8.683 -2.574 1.00 0.00 C ATOM 991 CD PRO A 57 -10.835 -9.442 -1.644 1.00 0.00 C ATOM 0 HA PRO A 57 -9.179 -8.187 -3.984 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.158 -6.648 -2.253 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.321 -7.090 -3.941 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.680 -8.428 -2.081 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.994 -9.283 -3.448 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.049 -9.213 -0.600 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.949 -10.519 -1.764 1.00 0.00 H new ATOM 999 N PRO A 58 -8.431 -5.740 -3.476 1.00 0.00 N ATOM 1000 CA PRO A 58 -7.580 -4.580 -3.193 1.00 0.00 C ATOM 1001 C PRO A 58 -8.050 -3.800 -1.969 1.00 0.00 C ATOM 1002 O PRO A 58 -8.756 -2.800 -2.093 1.00 0.00 O ATOM 1003 CB PRO A 58 -7.697 -3.717 -4.457 1.00 0.00 C ATOM 1004 CG PRO A 58 -8.917 -4.211 -5.157 1.00 0.00 C ATOM 1005 CD PRO A 58 -9.025 -5.670 -4.820 1.00 0.00 C ATOM 0 HA PRO A 58 -6.557 -4.879 -2.966 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.788 -2.660 -4.205 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.813 -3.819 -5.087 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.803 -3.668 -4.828 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.835 -4.064 -6.234 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.061 -6.010 -4.822 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.484 -6.291 -5.534 1.00 0.00 H new ATOM 1013 N ILE A 59 -7.647 -4.261 -0.788 1.00 0.00 N ATOM 1014 CA ILE A 59 -8.024 -3.605 0.457 1.00 0.00 C ATOM 1015 C ILE A 59 -7.493 -2.177 0.498 1.00 0.00 C ATOM 1016 O ILE A 59 -6.300 -1.950 0.706 1.00 0.00 O ATOM 1017 CB ILE A 59 -7.495 -4.377 1.683 1.00 0.00 C ATOM 1018 CG1 ILE A 59 -7.993 -5.822 1.655 1.00 0.00 C ATOM 1019 CG2 ILE A 59 -7.909 -3.692 2.979 1.00 0.00 C ATOM 1020 CD1 ILE A 59 -7.274 -6.726 2.633 1.00 0.00 C ATOM 0 H ILE A 59 -7.060 -5.086 -0.669 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.113 -3.589 0.495 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.406 -4.383 1.639 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -9.060 -5.835 1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.872 -6.220 0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.523 -4.256 3.828 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.504 -2.680 3.001 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.997 -3.648 3.036 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.678 -7.736 2.560 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.210 -6.743 2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.416 -6.351 3.647 1.00 0.00 H new ATOM 1032 N LEU A 60 -8.387 -1.217 0.298 1.00 0.00 N ATOM 1033 CA LEU A 60 -8.013 0.192 0.309 1.00 0.00 C ATOM 1034 C LEU A 60 -7.886 0.709 1.739 1.00 0.00 C ATOM 1035 O LEU A 60 -8.885 1.011 2.392 1.00 0.00 O ATOM 1036 CB LEU A 60 -9.049 1.017 -0.462 1.00 0.00 C ATOM 1037 CG LEU A 60 -8.700 1.325 -1.925 1.00 0.00 C ATOM 1038 CD1 LEU A 60 -7.811 0.244 -2.523 1.00 0.00 C ATOM 1039 CD2 LEU A 60 -9.973 1.479 -2.746 1.00 0.00 C ATOM 0 H LEU A 60 -9.378 -1.388 0.126 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.043 0.294 -0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.000 0.485 -0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.199 1.960 0.063 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.145 2.263 -1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.583 0.493 -3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.884 0.179 -1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.328 -0.715 -2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.714 1.697 -3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.548 0.554 -2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.570 2.296 -2.342 1.00 0.00 H new ATOM 1051 N LEU A 61 -6.649 0.809 2.218 1.00 0.00 N ATOM 1052 CA LEU A 61 -6.390 1.290 3.569 1.00 0.00 C ATOM 1053 C LEU A 61 -5.749 2.672 3.536 1.00 0.00 C ATOM 1054 O LEU A 61 -4.963 2.983 2.641 1.00 0.00 O ATOM 1055 CB LEU A 61 -5.482 0.311 4.316 1.00 0.00 C ATOM 1056 CG LEU A 61 -6.132 -1.029 4.671 1.00 0.00 C ATOM 1057 CD1 LEU A 61 -5.115 -1.962 5.311 1.00 0.00 C ATOM 1058 CD2 LEU A 61 -7.320 -0.816 5.596 1.00 0.00 C ATOM 0 H LEU A 61 -5.812 0.563 1.690 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.343 1.362 4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.599 0.120 3.706 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.138 0.786 5.235 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.491 -1.492 3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.595 -2.909 5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.296 -2.140 4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.725 -1.506 6.221 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.770 -1.779 5.838 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.985 -0.331 6.513 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.058 -0.185 5.101 1.00 0.00 H new ATOM 1070 N VAL A 62 -6.092 3.500 4.518 1.00 0.00 N ATOM 1071 CA VAL A 62 -5.551 4.851 4.599 1.00 0.00 C ATOM 1072 C VAL A 62 -5.266 5.242 6.045 1.00 0.00 C ATOM 1073 O VAL A 62 -5.970 4.818 6.963 1.00 0.00 O ATOM 1074 CB VAL A 62 -6.517 5.884 3.983 1.00 0.00 C ATOM 1075 CG1 VAL A 62 -5.814 7.218 3.785 1.00 0.00 C ATOM 1076 CG2 VAL A 62 -7.085 5.373 2.668 1.00 0.00 C ATOM 0 H VAL A 62 -6.741 3.259 5.267 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.620 4.852 4.032 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.347 6.033 4.674 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.510 7.935 3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.464 7.591 4.747 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.964 7.085 3.116 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.764 6.117 2.251 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.271 5.191 1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.628 4.444 2.843 1.00 0.00 H new ATOM 1086 N ALA A 63 -4.232 6.052 6.242 1.00 0.00 N ATOM 1087 CA ALA A 63 -3.856 6.501 7.578 1.00 0.00 C ATOM 1088 C ALA A 63 -4.999 7.261 8.241 1.00 0.00 C ATOM 1089 O ALA A 63 -5.828 7.872 7.565 1.00 0.00 O ATOM 1090 CB ALA A 63 -2.609 7.369 7.512 1.00 0.00 C ATOM 0 H ALA A 63 -3.639 6.411 5.494 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.639 5.621 8.184 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.340 7.697 8.516 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.787 6.793 7.086 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.805 8.240 6.886 1.00 0.00 H new ATOM 1096 N GLY A 64 -5.041 7.215 9.569 1.00 0.00 N ATOM 1097 CA GLY A 64 -6.090 7.900 10.300 1.00 0.00 C ATOM 1098 C GLY A 64 -7.357 7.075 10.401 1.00 0.00 C ATOM 1099 O GLY A 64 -7.820 6.767 11.499 1.00 0.00 O ATOM 0 H GLY A 64 -4.368 6.716 10.151 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.734 8.139 11.302 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.314 8.846 9.807 1.00 0.00 H new ATOM 1103 N LYS A 65 -7.916 6.714 9.252 1.00 0.00 N ATOM 1104 CA LYS A 65 -9.135 5.915 9.212 1.00 0.00 C ATOM 1105 C LYS A 65 -8.823 4.440 9.436 1.00 0.00 C ATOM 1106 O LYS A 65 -9.629 3.702 10.002 1.00 0.00 O ATOM 1107 CB LYS A 65 -9.850 6.103 7.872 1.00 0.00 C ATOM 1108 CG LYS A 65 -11.346 6.340 8.009 1.00 0.00 C ATOM 1109 CD LYS A 65 -12.153 5.251 7.319 1.00 0.00 C ATOM 1110 CE LYS A 65 -13.519 5.075 7.963 1.00 0.00 C ATOM 1111 NZ LYS A 65 -14.353 6.302 7.840 1.00 0.00 N ATOM 0 H LYS A 65 -7.544 6.962 8.335 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.791 6.254 10.014 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.403 6.947 7.347 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.685 5.220 7.255 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.613 6.377 9.065 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.602 7.309 7.581 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.276 5.501 6.265 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.606 4.309 7.362 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.035 4.237 7.495 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.394 4.825 9.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -15.219 6.191 8.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -13.816 7.123 8.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.607 6.450 6.843 1.00 0.00 H new ATOM 1125 N ASP A 66 -7.643 4.018 8.991 1.00 0.00 N ATOM 1126 CA ASP A 66 -7.218 2.633 9.144 1.00 0.00 C ATOM 1127 C ASP A 66 -5.889 2.555 9.887 1.00 0.00 C ATOM 1128 O ASP A 66 -4.928 1.955 9.405 1.00 0.00 O ATOM 1129 CB ASP A 66 -7.094 1.962 7.773 1.00 0.00 C ATOM 1130 CG ASP A 66 -8.442 1.564 7.200 1.00 0.00 C ATOM 1131 OD1 ASP A 66 -9.241 0.951 7.936 1.00 0.00 O ATOM 1132 OD2 ASP A 66 -8.695 1.866 6.015 1.00 0.00 O ATOM 0 H ASP A 66 -6.964 4.617 8.521 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.972 2.107 9.729 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.595 2.642 7.082 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.464 1.077 7.860 1.00 0.00 H new ATOM 1137 N ASP A 67 -5.840 3.170 11.064 1.00 0.00 N ATOM 1138 CA ASP A 67 -4.628 3.172 11.875 1.00 0.00 C ATOM 1139 C ASP A 67 -4.288 1.763 12.348 1.00 0.00 C ATOM 1140 O ASP A 67 -3.120 1.427 12.541 1.00 0.00 O ATOM 1141 CB ASP A 67 -4.798 4.106 13.078 1.00 0.00 C ATOM 1142 CG ASP A 67 -3.777 5.228 13.088 1.00 0.00 C ATOM 1143 OD1 ASP A 67 -2.607 4.964 13.433 1.00 0.00 O ATOM 1144 OD2 ASP A 67 -4.149 6.370 12.750 1.00 0.00 O ATOM 0 H ASP A 67 -6.625 3.673 11.477 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.805 3.534 11.258 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.801 4.532 13.065 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.708 3.529 13.998 1.00 0.00 H new ATOM 1149 N MET A 68 -5.317 0.942 12.532 1.00 0.00 N ATOM 1150 CA MET A 68 -5.126 -0.432 12.979 1.00 0.00 C ATOM 1151 C MET A 68 -4.840 -1.351 11.798 1.00 0.00 C ATOM 1152 O MET A 68 -3.994 -2.242 11.880 1.00 0.00 O ATOM 1153 CB MET A 68 -6.364 -0.921 13.731 1.00 0.00 C ATOM 1154 CG MET A 68 -6.529 -0.296 15.107 1.00 0.00 C ATOM 1155 SD MET A 68 -7.325 1.320 15.043 1.00 0.00 S ATOM 1156 CE MET A 68 -6.197 2.292 16.038 1.00 0.00 C ATOM 0 H MET A 68 -6.291 1.205 12.378 1.00 0.00 H new ATOM 0 HA MET A 68 -4.268 -0.454 13.651 1.00 0.00 H new ATOM 0 HB2 MET A 68 -7.250 -0.704 13.134 1.00 0.00 H new ATOM 0 HB3 MET A 68 -6.309 -2.004 13.838 1.00 0.00 H new ATOM 0 HG2 MET A 68 -7.118 -0.963 15.737 1.00 0.00 H new ATOM 0 HG3 MET A 68 -5.550 -0.197 15.577 1.00 0.00 H new ATOM 0 HE1 MET A 68 -6.382 3.352 15.867 1.00 0.00 H new ATOM 0 HE2 MET A 68 -6.351 2.062 17.092 1.00 0.00 H new ATOM 0 HE3 MET A 68 -5.170 2.054 15.761 1.00 0.00 H new ATOM 1166 N GLU A 69 -5.552 -1.128 10.698 1.00 0.00 N ATOM 1167 CA GLU A 69 -5.375 -1.935 9.499 1.00 0.00 C ATOM 1168 C GLU A 69 -4.063 -1.592 8.801 1.00 0.00 C ATOM 1169 O GLU A 69 -3.232 -2.466 8.554 1.00 0.00 O ATOM 1170 CB GLU A 69 -6.549 -1.727 8.541 1.00 0.00 C ATOM 1171 CG GLU A 69 -7.720 -2.659 8.804 1.00 0.00 C ATOM 1172 CD GLU A 69 -7.363 -4.117 8.593 1.00 0.00 C ATOM 1173 OE1 GLU A 69 -6.817 -4.736 9.530 1.00 0.00 O ATOM 1174 OE2 GLU A 69 -7.630 -4.640 7.490 1.00 0.00 O ATOM 0 H GLU A 69 -6.256 -0.395 10.613 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.342 -2.983 9.797 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.892 -0.695 8.618 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.202 -1.872 7.518 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.069 -2.519 9.827 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.547 -2.392 8.146 1.00 0.00 H new ATOM 1181 N MET A 70 -3.880 -0.311 8.489 1.00 0.00 N ATOM 1182 CA MET A 70 -2.665 0.153 7.823 1.00 0.00 C ATOM 1183 C MET A 70 -1.422 -0.316 8.573 1.00 0.00 C ATOM 1184 O MET A 70 -1.501 -0.711 9.736 1.00 0.00 O ATOM 1185 CB MET A 70 -2.667 1.680 7.719 1.00 0.00 C ATOM 1186 CG MET A 70 -1.392 2.257 7.127 1.00 0.00 C ATOM 1187 SD MET A 70 -1.536 4.011 6.742 1.00 0.00 S ATOM 1188 CE MET A 70 -2.435 3.938 5.196 1.00 0.00 C ATOM 0 H MET A 70 -4.558 0.425 8.687 1.00 0.00 H new ATOM 0 HA MET A 70 -2.644 -0.272 6.820 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.514 1.992 7.108 1.00 0.00 H new ATOM 0 HB3 MET A 70 -2.819 2.102 8.712 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.571 2.109 7.829 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.138 1.710 6.219 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.713 4.946 4.889 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.805 3.485 4.430 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.335 3.338 5.327 1.00 0.00 H new ATOM 1198 N CYS A 71 -0.274 -0.263 7.903 1.00 0.00 N ATOM 1199 CA CYS A 71 0.985 -0.679 8.510 1.00 0.00 C ATOM 1200 C CYS A 71 1.191 0.007 9.857 1.00 0.00 C ATOM 1201 O CYS A 71 0.947 1.205 9.999 1.00 0.00 O ATOM 1202 CB CYS A 71 2.156 -0.357 7.582 1.00 0.00 C ATOM 1203 SG CYS A 71 3.585 -1.437 7.810 1.00 0.00 S ATOM 0 H CYS A 71 -0.191 0.064 6.940 1.00 0.00 H new ATOM 0 HA CYS A 71 0.942 -1.756 8.670 1.00 0.00 H new ATOM 0 HB2 CYS A 71 1.819 -0.430 6.548 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.463 0.676 7.745 1.00 0.00 H new ATOM 0 HG CYS A 71 3.641 -2.295 6.835 1.00 0.00 H new ATOM 1209 N GLU A 72 1.643 -0.758 10.847 1.00 0.00 N ATOM 1210 CA GLU A 72 1.878 -0.218 12.181 1.00 0.00 C ATOM 1211 C GLU A 72 3.341 -0.380 12.587 1.00 0.00 C ATOM 1212 O GLU A 72 3.642 -0.820 13.696 1.00 0.00 O ATOM 1213 CB GLU A 72 0.971 -0.909 13.201 1.00 0.00 C ATOM 1214 CG GLU A 72 0.680 -0.059 14.427 1.00 0.00 C ATOM 1215 CD GLU A 72 -0.130 -0.801 15.472 1.00 0.00 C ATOM 1216 OE1 GLU A 72 -1.217 -1.308 15.130 1.00 0.00 O ATOM 1217 OE2 GLU A 72 0.324 -0.874 16.633 1.00 0.00 O ATOM 0 H GLU A 72 1.853 -1.751 10.750 1.00 0.00 H new ATOM 0 HA GLU A 72 1.644 0.846 12.161 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.029 -1.172 12.719 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.438 -1.842 13.518 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.621 0.270 14.868 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.140 0.838 14.123 1.00 0.00 H new ATOM 1224 N LYS A 73 4.245 -0.015 11.685 1.00 0.00 N ATOM 1225 CA LYS A 73 5.676 -0.117 11.954 1.00 0.00 C ATOM 1226 C LYS A 73 6.468 0.849 11.077 1.00 0.00 C ATOM 1227 O LYS A 73 6.234 0.949 9.873 1.00 0.00 O ATOM 1228 CB LYS A 73 6.174 -1.552 11.734 1.00 0.00 C ATOM 1229 CG LYS A 73 5.236 -2.418 10.906 1.00 0.00 C ATOM 1230 CD LYS A 73 4.234 -3.151 11.785 1.00 0.00 C ATOM 1231 CE LYS A 73 4.357 -4.659 11.636 1.00 0.00 C ATOM 1232 NZ LYS A 73 4.028 -5.111 10.255 1.00 0.00 N ATOM 0 H LYS A 73 4.014 0.354 10.762 1.00 0.00 H new ATOM 0 HA LYS A 73 5.835 0.152 12.998 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.146 -1.516 11.242 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.325 -2.025 12.704 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.704 -1.795 10.187 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.817 -3.141 10.333 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.392 -2.874 12.827 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.223 -2.840 11.522 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.372 -4.967 11.886 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.691 -5.149 12.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.792 -6.124 10.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.215 -4.571 9.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.847 -4.955 9.634 1.00 0.00 H new ATOM 1246 N ASN A 74 7.409 1.557 11.694 1.00 0.00 N ATOM 1247 CA ASN A 74 8.247 2.517 10.983 1.00 0.00 C ATOM 1248 C ASN A 74 8.955 1.853 9.803 1.00 0.00 C ATOM 1249 O ASN A 74 9.003 0.627 9.709 1.00 0.00 O ATOM 1250 CB ASN A 74 9.272 3.128 11.943 1.00 0.00 C ATOM 1251 CG ASN A 74 10.022 4.298 11.337 1.00 0.00 C ATOM 1252 OD1 ASN A 74 10.939 4.111 10.537 1.00 0.00 O ATOM 1253 ND2 ASN A 74 9.640 5.515 11.714 1.00 0.00 N ATOM 0 H ASN A 74 7.611 1.483 12.691 1.00 0.00 H new ATOM 0 HA ASN A 74 7.609 3.310 10.592 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.763 3.459 12.848 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.986 2.360 12.241 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.112 6.337 11.338 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.875 5.626 12.380 1.00 0.00 H new ATOM 1260 N LEU A 75 9.495 2.669 8.901 1.00 0.00 N ATOM 1261 CA LEU A 75 10.191 2.162 7.720 1.00 0.00 C ATOM 1262 C LEU A 75 11.244 1.117 8.089 1.00 0.00 C ATOM 1263 O LEU A 75 11.345 0.070 7.448 1.00 0.00 O ATOM 1264 CB LEU A 75 10.851 3.316 6.961 1.00 0.00 C ATOM 1265 CG LEU A 75 10.698 3.263 5.440 1.00 0.00 C ATOM 1266 CD1 LEU A 75 9.326 3.765 5.023 1.00 0.00 C ATOM 1267 CD2 LEU A 75 11.793 4.077 4.767 1.00 0.00 C ATOM 0 H LEU A 75 9.464 3.687 8.965 1.00 0.00 H new ATOM 0 HA LEU A 75 9.449 1.681 7.082 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.430 4.255 7.321 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.914 3.330 7.204 1.00 0.00 H new ATOM 0 HG LEU A 75 10.794 2.225 5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.236 3.720 3.938 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.557 3.141 5.477 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.199 4.796 5.355 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.669 4.029 3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.728 5.115 5.094 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.767 3.671 5.039 1.00 0.00 H new ATOM 1279 N GLU A 76 12.033 1.411 9.116 1.00 0.00 N ATOM 1280 CA GLU A 76 13.084 0.500 9.560 1.00 0.00 C ATOM 1281 C GLU A 76 12.503 -0.752 10.217 1.00 0.00 C ATOM 1282 O GLU A 76 13.093 -1.830 10.144 1.00 0.00 O ATOM 1283 CB GLU A 76 14.022 1.211 10.538 1.00 0.00 C ATOM 1284 CG GLU A 76 13.297 1.982 11.626 1.00 0.00 C ATOM 1285 CD GLU A 76 14.011 1.916 12.962 1.00 0.00 C ATOM 1286 OE1 GLU A 76 15.158 2.403 13.045 1.00 0.00 O ATOM 1287 OE2 GLU A 76 13.424 1.380 13.925 1.00 0.00 O ATOM 0 H GLU A 76 11.966 2.273 9.658 1.00 0.00 H new ATOM 0 HA GLU A 76 13.645 0.189 8.679 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.676 0.473 11.002 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.660 1.898 9.982 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.197 3.024 11.323 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.288 1.584 11.737 1.00 0.00 H new ATOM 1294 N GLU A 77 11.356 -0.600 10.870 1.00 0.00 N ATOM 1295 CA GLU A 77 10.709 -1.720 11.548 1.00 0.00 C ATOM 1296 C GLU A 77 9.832 -2.528 10.593 1.00 0.00 C ATOM 1297 O GLU A 77 9.528 -3.692 10.856 1.00 0.00 O ATOM 1298 CB GLU A 77 9.869 -1.208 12.723 1.00 0.00 C ATOM 1299 CG GLU A 77 10.376 -1.673 14.077 1.00 0.00 C ATOM 1300 CD GLU A 77 11.725 -1.080 14.430 1.00 0.00 C ATOM 1301 OE1 GLU A 77 12.736 -1.513 13.838 1.00 0.00 O ATOM 1302 OE2 GLU A 77 11.773 -0.183 15.298 1.00 0.00 O ATOM 0 H GLU A 77 10.855 0.285 10.945 1.00 0.00 H new ATOM 0 HA GLU A 77 11.493 -2.380 11.920 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.857 -0.118 12.703 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.839 -1.541 12.595 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.652 -1.401 14.845 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.450 -2.761 14.079 1.00 0.00 H new ATOM 1309 N THR A 78 9.424 -1.909 9.492 1.00 0.00 N ATOM 1310 CA THR A 78 8.579 -2.582 8.511 1.00 0.00 C ATOM 1311 C THR A 78 9.292 -3.783 7.902 1.00 0.00 C ATOM 1312 O THR A 78 8.980 -4.930 8.220 1.00 0.00 O ATOM 1313 CB THR A 78 8.165 -1.606 7.406 1.00 0.00 C ATOM 1314 OG1 THR A 78 8.939 -0.422 7.462 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.710 -1.205 7.480 1.00 0.00 C ATOM 0 H THR A 78 9.663 -0.946 9.256 1.00 0.00 H new ATOM 0 HA THR A 78 7.687 -2.938 9.027 1.00 0.00 H new ATOM 0 HB THR A 78 8.333 -2.142 6.472 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.857 -0.618 7.180 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.482 -0.513 6.670 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.083 -2.092 7.387 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.514 -0.721 8.437 1.00 0.00 H new ATOM 1323 N GLY A 79 10.247 -3.510 7.020 1.00 0.00 N ATOM 1324 CA GLY A 79 10.988 -4.577 6.375 1.00 0.00 C ATOM 1325 C GLY A 79 11.218 -4.309 4.902 1.00 0.00 C ATOM 1326 O GLY A 79 12.171 -4.821 4.313 1.00 0.00 O ATOM 0 H GLY A 79 10.521 -2.568 6.740 1.00 0.00 H new ATOM 0 HA2 GLY A 79 11.949 -4.702 6.874 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.445 -5.515 6.491 1.00 0.00 H new ATOM 1330 N LEU A 80 10.345 -3.504 4.302 1.00 0.00 N ATOM 1331 CA LEU A 80 10.460 -3.166 2.887 1.00 0.00 C ATOM 1332 C LEU A 80 11.848 -2.618 2.576 1.00 0.00 C ATOM 1333 O LEU A 80 12.407 -2.876 1.509 1.00 0.00 O ATOM 1334 CB LEU A 80 9.395 -2.138 2.497 1.00 0.00 C ATOM 1335 CG LEU A 80 7.969 -2.489 2.931 1.00 0.00 C ATOM 1336 CD1 LEU A 80 7.329 -1.320 3.665 1.00 0.00 C ATOM 1337 CD2 LEU A 80 7.127 -2.887 1.727 1.00 0.00 C ATOM 0 H LEU A 80 9.550 -3.074 4.774 1.00 0.00 H new ATOM 0 HA LEU A 80 10.305 -4.075 2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.664 -1.175 2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.409 -2.015 1.414 1.00 0.00 H new ATOM 0 HG LEU A 80 8.018 -3.338 3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.316 -1.589 3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.918 -1.080 4.550 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.294 -0.452 3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.117 -3.133 2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.087 -2.058 1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.573 -3.756 1.242 1.00 0.00 H new ATOM 1349 N THR A 81 12.401 -1.863 3.519 1.00 0.00 N ATOM 1350 CA THR A 81 13.727 -1.281 3.354 1.00 0.00 C ATOM 1351 C THR A 81 14.805 -2.347 3.508 1.00 0.00 C ATOM 1352 O THR A 81 15.869 -2.262 2.895 1.00 0.00 O ATOM 1353 CB THR A 81 13.945 -0.162 4.374 1.00 0.00 C ATOM 1354 OG1 THR A 81 13.709 -0.631 5.689 1.00 0.00 O ATOM 1355 CG2 THR A 81 13.053 1.038 4.146 1.00 0.00 C ATOM 0 H THR A 81 11.951 -1.640 4.406 1.00 0.00 H new ATOM 0 HA THR A 81 13.795 -0.862 2.350 1.00 0.00 H new ATOM 0 HB THR A 81 14.982 0.149 4.246 1.00 0.00 H new ATOM 0 HG1 THR A 81 12.865 -0.260 6.022 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.259 1.794 4.904 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.248 1.453 3.157 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.009 0.733 4.212 1.00 0.00 H new ATOM 1363 N ARG A 82 14.520 -3.354 4.328 1.00 0.00 N ATOM 1364 CA ARG A 82 15.464 -4.441 4.559 1.00 0.00 C ATOM 1365 C ARG A 82 15.544 -5.351 3.338 1.00 0.00 C ATOM 1366 O ARG A 82 16.591 -5.927 3.045 1.00 0.00 O ATOM 1367 CB ARG A 82 15.054 -5.256 5.789 1.00 0.00 C ATOM 1368 CG ARG A 82 14.615 -4.404 6.970 1.00 0.00 C ATOM 1369 CD ARG A 82 15.710 -3.443 7.406 1.00 0.00 C ATOM 1370 NE ARG A 82 16.357 -3.874 8.644 1.00 0.00 N ATOM 1371 CZ ARG A 82 17.046 -3.064 9.443 1.00 0.00 C ATOM 1372 NH1 ARG A 82 17.182 -1.779 9.140 1.00 0.00 N ATOM 1373 NH2 ARG A 82 17.600 -3.539 10.550 1.00 0.00 N ATOM 0 H ARG A 82 13.644 -3.439 4.843 1.00 0.00 H new ATOM 0 HA ARG A 82 16.447 -4.004 4.737 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.240 -5.927 5.514 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.893 -5.881 6.095 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.722 -3.840 6.700 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.344 -5.050 7.805 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.457 -3.362 6.616 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.285 -2.449 7.546 1.00 0.00 H new ATOM 0 HE ARG A 82 16.275 -4.855 8.911 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.757 -1.408 8.290 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.712 -1.163 9.757 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.498 -4.525 10.789 1.00 0.00 H new ATOM 0 HH22 ARG A 82 18.128 -2.918 11.163 1.00 0.00 H new ATOM 1387 N LYS A 83 14.425 -5.475 2.628 1.00 0.00 N ATOM 1388 CA LYS A 83 14.363 -6.311 1.435 1.00 0.00 C ATOM 1389 C LYS A 83 15.344 -5.817 0.375 1.00 0.00 C ATOM 1390 O LYS A 83 16.203 -4.982 0.654 1.00 0.00 O ATOM 1391 CB LYS A 83 12.938 -6.320 0.872 1.00 0.00 C ATOM 1392 CG LYS A 83 12.239 -7.663 1.004 1.00 0.00 C ATOM 1393 CD LYS A 83 11.341 -7.705 2.230 1.00 0.00 C ATOM 1394 CE LYS A 83 10.664 -9.057 2.381 1.00 0.00 C ATOM 1395 NZ LYS A 83 9.509 -9.000 3.318 1.00 0.00 N ATOM 0 H LYS A 83 13.549 -5.006 2.860 1.00 0.00 H new ATOM 0 HA LYS A 83 14.642 -7.327 1.713 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.348 -5.561 1.386 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.971 -6.039 -0.181 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.645 -7.855 0.110 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.983 -8.457 1.069 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.931 -7.491 3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.584 -6.925 2.154 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.323 -9.403 1.405 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.388 -9.787 2.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.406 -9.917 3.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.672 -8.255 4.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.641 -8.789 2.786 1.00 0.00 H new ATOM 1409 N ARG A 84 15.210 -6.342 -0.838 1.00 0.00 N ATOM 1410 CA ARG A 84 16.084 -5.952 -1.939 1.00 0.00 C ATOM 1411 C ARG A 84 15.413 -4.909 -2.826 1.00 0.00 C ATOM 1412 O ARG A 84 14.982 -5.209 -3.939 1.00 0.00 O ATOM 1413 CB ARG A 84 16.468 -7.179 -2.771 1.00 0.00 C ATOM 1414 CG ARG A 84 17.655 -7.950 -2.210 1.00 0.00 C ATOM 1415 CD ARG A 84 18.884 -7.817 -3.098 1.00 0.00 C ATOM 1416 NE ARG A 84 19.448 -9.119 -3.449 1.00 0.00 N ATOM 1417 CZ ARG A 84 18.814 -10.026 -4.190 1.00 0.00 C ATOM 1418 NH1 ARG A 84 17.599 -9.777 -4.662 1.00 0.00 N ATOM 1419 NH2 ARG A 84 19.400 -11.184 -4.463 1.00 0.00 N ATOM 0 H ARG A 84 14.506 -7.038 -1.084 1.00 0.00 H new ATOM 0 HA ARG A 84 16.987 -5.512 -1.515 1.00 0.00 H new ATOM 0 HB2 ARG A 84 15.609 -7.847 -2.835 1.00 0.00 H new ATOM 0 HB3 ARG A 84 16.700 -6.860 -3.787 1.00 0.00 H new ATOM 0 HG2 ARG A 84 17.887 -7.583 -1.210 1.00 0.00 H new ATOM 0 HG3 ARG A 84 17.391 -9.003 -2.110 1.00 0.00 H new ATOM 0 HD2 ARG A 84 18.617 -7.280 -4.008 1.00 0.00 H new ATOM 0 HD3 ARG A 84 19.639 -7.221 -2.586 1.00 0.00 H new ATOM 0 HE ARG A 84 20.382 -9.346 -3.106 1.00 0.00 H new ATOM 0 HH11 ARG A 84 17.145 -8.887 -4.458 1.00 0.00 H new ATOM 0 HH12 ARG A 84 17.119 -10.476 -5.229 1.00 0.00 H new ATOM 0 HH21 ARG A 84 20.335 -11.379 -4.106 1.00 0.00 H new ATOM 0 HH22 ARG A 84 18.915 -11.880 -5.030 1.00 0.00 H new ATOM 1433 N GLY A 85 15.329 -3.682 -2.324 1.00 0.00 N ATOM 1434 CA GLY A 85 14.711 -2.610 -3.083 1.00 0.00 C ATOM 1435 C GLY A 85 13.205 -2.756 -3.174 1.00 0.00 C ATOM 1436 O GLY A 85 12.660 -2.976 -4.255 1.00 0.00 O ATOM 0 H GLY A 85 15.678 -3.410 -1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 85 14.953 -1.654 -2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 85 15.132 -2.591 -4.088 1.00 0.00 H new ATOM 1440 N ALA A 86 12.530 -2.630 -2.036 1.00 0.00 N ATOM 1441 CA ALA A 86 11.076 -2.748 -1.992 1.00 0.00 C ATOM 1442 C ALA A 86 10.400 -1.522 -2.602 1.00 0.00 C ATOM 1443 O ALA A 86 9.187 -1.517 -2.816 1.00 0.00 O ATOM 1444 CB ALA A 86 10.610 -2.949 -0.559 1.00 0.00 C ATOM 0 H ALA A 86 12.966 -2.446 -1.132 1.00 0.00 H new ATOM 0 HA ALA A 86 10.790 -3.617 -2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.524 -3.036 -0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.054 -3.859 -0.156 1.00 0.00 H new ATOM 0 HB3 ALA A 86 10.917 -2.096 0.047 1.00 0.00 H new ATOM 1450 N GLU A 87 11.184 -0.480 -2.876 1.00 0.00 N ATOM 1451 CA GLU A 87 10.653 0.751 -3.454 1.00 0.00 C ATOM 1452 C GLU A 87 9.838 0.469 -4.714 1.00 0.00 C ATOM 1453 O GLU A 87 10.045 -0.540 -5.388 1.00 0.00 O ATOM 1454 CB GLU A 87 11.792 1.720 -3.776 1.00 0.00 C ATOM 1455 CG GLU A 87 11.377 3.182 -3.730 1.00 0.00 C ATOM 1456 CD GLU A 87 12.548 4.113 -3.480 1.00 0.00 C ATOM 1457 OE1 GLU A 87 13.333 3.840 -2.548 1.00 0.00 O ATOM 1458 OE2 GLU A 87 12.680 5.112 -4.215 1.00 0.00 O ATOM 0 H GLU A 87 12.190 -0.465 -2.706 1.00 0.00 H new ATOM 0 HA GLU A 87 9.991 1.205 -2.717 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.606 1.559 -3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 87 12.182 1.493 -4.768 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.899 3.450 -4.672 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.634 3.320 -2.945 1.00 0.00 H new ATOM 1465 N ILE A 88 8.908 1.369 -5.023 1.00 0.00 N ATOM 1466 CA ILE A 88 8.058 1.221 -6.200 1.00 0.00 C ATOM 1467 C ILE A 88 7.749 2.575 -6.831 1.00 0.00 C ATOM 1468 O ILE A 88 8.005 3.622 -6.237 1.00 0.00 O ATOM 1469 CB ILE A 88 6.728 0.524 -5.850 1.00 0.00 C ATOM 1470 CG1 ILE A 88 5.912 1.376 -4.872 1.00 0.00 C ATOM 1471 CG2 ILE A 88 6.986 -0.854 -5.265 1.00 0.00 C ATOM 1472 CD1 ILE A 88 4.479 1.588 -5.306 1.00 0.00 C ATOM 0 H ILE A 88 8.724 2.209 -4.474 1.00 0.00 H new ATOM 0 HA ILE A 88 8.611 0.606 -6.910 1.00 0.00 H new ATOM 0 HB ILE A 88 6.152 0.408 -6.768 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.920 0.898 -3.893 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.396 2.346 -4.757 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.036 -1.331 -5.024 1.00 0.00 H new ATOM 0 HG22 ILE A 88 7.524 -1.463 -5.992 1.00 0.00 H new ATOM 0 HG23 ILE A 88 7.584 -0.758 -4.359 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.962 2.199 -4.567 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.462 2.094 -6.271 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.979 0.623 -5.393 1.00 0.00 H new ATOM 1484 N LEU A 89 7.189 2.545 -8.037 1.00 0.00 N ATOM 1485 CA LEU A 89 6.835 3.766 -8.746 1.00 0.00 C ATOM 1486 C LEU A 89 5.527 4.342 -8.203 1.00 0.00 C ATOM 1487 O LEU A 89 4.622 3.596 -7.833 1.00 0.00 O ATOM 1488 CB LEU A 89 6.696 3.483 -10.243 1.00 0.00 C ATOM 1489 CG LEU A 89 7.838 4.007 -11.112 1.00 0.00 C ATOM 1490 CD1 LEU A 89 7.775 3.389 -12.498 1.00 0.00 C ATOM 1491 CD2 LEU A 89 7.783 5.525 -11.197 1.00 0.00 C ATOM 0 H LEU A 89 6.971 1.686 -8.542 1.00 0.00 H new ATOM 0 HA LEU A 89 7.629 4.497 -8.592 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.616 2.406 -10.387 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.762 3.922 -10.594 1.00 0.00 H new ATOM 0 HG LEU A 89 8.785 3.722 -10.653 1.00 0.00 H new ATOM 0 HD11 LEU A 89 8.595 3.772 -13.105 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.859 2.305 -12.417 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.825 3.645 -12.968 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.603 5.885 -11.819 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.833 5.831 -11.636 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.874 5.949 -10.197 1.00 0.00 H new ATOM 1503 N PRO A 90 5.403 5.680 -8.156 1.00 0.00 N ATOM 1504 CA PRO A 90 4.191 6.338 -7.665 1.00 0.00 C ATOM 1505 C PRO A 90 3.022 6.131 -8.618 1.00 0.00 C ATOM 1506 O PRO A 90 1.872 5.998 -8.197 1.00 0.00 O ATOM 1507 CB PRO A 90 4.567 7.827 -7.604 1.00 0.00 C ATOM 1508 CG PRO A 90 6.045 7.884 -7.810 1.00 0.00 C ATOM 1509 CD PRO A 90 6.415 6.653 -8.584 1.00 0.00 C ATOM 0 HA PRO A 90 3.873 5.938 -6.702 1.00 0.00 H new ATOM 0 HB2 PRO A 90 4.043 8.394 -8.373 1.00 0.00 H new ATOM 0 HB3 PRO A 90 4.289 8.261 -6.643 1.00 0.00 H new ATOM 0 HG2 PRO A 90 6.326 8.785 -8.356 1.00 0.00 H new ATOM 0 HG3 PRO A 90 6.569 7.914 -6.855 1.00 0.00 H new ATOM 0 HD2 PRO A 90 6.379 6.826 -9.660 1.00 0.00 H new ATOM 0 HD3 PRO A 90 7.425 6.316 -8.349 1.00 0.00 H new ATOM 1517 N ARG A 91 3.333 6.108 -9.908 1.00 0.00 N ATOM 1518 CA ARG A 91 2.324 5.920 -10.944 1.00 0.00 C ATOM 1519 C ARG A 91 1.522 4.642 -10.713 1.00 0.00 C ATOM 1520 O ARG A 91 0.293 4.672 -10.660 1.00 0.00 O ATOM 1521 CB ARG A 91 2.989 5.864 -12.320 1.00 0.00 C ATOM 1522 CG ARG A 91 3.314 7.232 -12.896 1.00 0.00 C ATOM 1523 CD ARG A 91 2.838 7.356 -14.332 1.00 0.00 C ATOM 1524 NE ARG A 91 3.890 7.023 -15.290 1.00 0.00 N ATOM 1525 CZ ARG A 91 3.707 6.982 -16.608 1.00 0.00 C ATOM 1526 NH1 ARG A 91 2.518 7.256 -17.129 1.00 0.00 N ATOM 1527 NH2 ARG A 91 4.716 6.666 -17.407 1.00 0.00 N ATOM 0 H ARG A 91 4.283 6.218 -10.264 1.00 0.00 H new ATOM 0 HA ARG A 91 1.640 6.768 -10.901 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.908 5.283 -12.246 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.332 5.335 -13.010 1.00 0.00 H new ATOM 0 HG2 ARG A 91 2.845 8.005 -12.288 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.390 7.401 -12.852 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.984 6.697 -14.489 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.493 8.374 -14.513 1.00 0.00 H new ATOM 0 HE ARG A 91 4.819 6.809 -14.928 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.738 7.500 -16.519 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.384 7.223 -18.140 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.632 6.454 -17.012 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.576 6.634 -18.417 1.00 0.00 H new ATOM 1541 N GLN A 92 2.226 3.521 -10.586 1.00 0.00 N ATOM 1542 CA GLN A 92 1.583 2.229 -10.370 1.00 0.00 C ATOM 1543 C GLN A 92 0.713 2.246 -9.116 1.00 0.00 C ATOM 1544 O GLN A 92 -0.419 1.764 -9.130 1.00 0.00 O ATOM 1545 CB GLN A 92 2.637 1.126 -10.255 1.00 0.00 C ATOM 1546 CG GLN A 92 3.625 1.107 -11.410 1.00 0.00 C ATOM 1547 CD GLN A 92 2.943 1.040 -12.762 1.00 0.00 C ATOM 1548 OE1 GLN A 92 2.205 0.099 -13.052 1.00 0.00 O ATOM 1549 NE2 GLN A 92 3.187 2.043 -13.597 1.00 0.00 N ATOM 0 H GLN A 92 3.244 3.482 -10.629 1.00 0.00 H new ATOM 0 HA GLN A 92 0.942 2.028 -11.228 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.185 1.254 -9.321 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.136 0.160 -10.201 1.00 0.00 H new ATOM 0 HG2 GLN A 92 4.247 2.001 -11.365 1.00 0.00 H new ATOM 0 HG3 GLN A 92 4.290 0.250 -11.300 1.00 0.00 H new ATOM 0 HE21 GLN A 92 3.806 2.803 -13.314 1.00 0.00 H new ATOM 0 HE22 GLN A 92 2.755 2.054 -14.521 1.00 0.00 H new ATOM 1558 N PHE A 93 1.250 2.802 -8.037 1.00 0.00 N ATOM 1559 CA PHE A 93 0.523 2.880 -6.776 1.00 0.00 C ATOM 1560 C PHE A 93 -0.821 3.576 -6.967 1.00 0.00 C ATOM 1561 O PHE A 93 -1.866 3.042 -6.595 1.00 0.00 O ATOM 1562 CB PHE A 93 1.351 3.627 -5.729 1.00 0.00 C ATOM 1563 CG PHE A 93 0.849 3.444 -4.326 1.00 0.00 C ATOM 1564 CD1 PHE A 93 -0.297 4.093 -3.896 1.00 0.00 C ATOM 1565 CD2 PHE A 93 1.524 2.624 -3.437 1.00 0.00 C ATOM 1566 CE1 PHE A 93 -0.761 3.927 -2.605 1.00 0.00 C ATOM 1567 CE2 PHE A 93 1.064 2.454 -2.145 1.00 0.00 C ATOM 1568 CZ PHE A 93 -0.079 3.106 -1.728 1.00 0.00 C ATOM 0 H PHE A 93 2.186 3.206 -8.010 1.00 0.00 H new ATOM 0 HA PHE A 93 0.342 1.863 -6.427 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.385 3.286 -5.784 1.00 0.00 H new ATOM 0 HB3 PHE A 93 1.353 4.690 -5.970 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.834 4.736 -4.578 1.00 0.00 H new ATOM 0 HD2 PHE A 93 2.419 2.112 -3.757 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.656 4.438 -2.282 1.00 0.00 H new ATOM 0 HE2 PHE A 93 1.599 1.811 -1.462 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.439 2.975 -0.718 1.00 0.00 H new ATOM 1578 N GLU A 94 -0.785 4.767 -7.553 1.00 0.00 N ATOM 1579 CA GLU A 94 -2.001 5.530 -7.797 1.00 0.00 C ATOM 1580 C GLU A 94 -2.802 4.922 -8.946 1.00 0.00 C ATOM 1581 O GLU A 94 -4.008 5.144 -9.054 1.00 0.00 O ATOM 1582 CB GLU A 94 -1.666 6.992 -8.096 1.00 0.00 C ATOM 1583 CG GLU A 94 -2.145 7.951 -7.018 1.00 0.00 C ATOM 1584 CD GLU A 94 -1.019 8.426 -6.119 1.00 0.00 C ATOM 1585 OE1 GLU A 94 -0.363 9.428 -6.470 1.00 0.00 O ATOM 1586 OE2 GLU A 94 -0.793 7.794 -5.066 1.00 0.00 O ATOM 0 H GLU A 94 0.071 5.224 -7.867 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.613 5.491 -6.896 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.587 7.094 -8.210 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.115 7.273 -9.048 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.618 8.813 -7.488 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.907 7.460 -6.412 1.00 0.00 H new ATOM 1593 N GLU A 95 -2.132 4.142 -9.793 1.00 0.00 N ATOM 1594 CA GLU A 95 -2.801 3.498 -10.915 1.00 0.00 C ATOM 1595 C GLU A 95 -3.880 2.560 -10.397 1.00 0.00 C ATOM 1596 O GLU A 95 -5.036 2.621 -10.818 1.00 0.00 O ATOM 1597 CB GLU A 95 -1.795 2.717 -11.765 1.00 0.00 C ATOM 1598 CG GLU A 95 -1.899 3.010 -13.250 1.00 0.00 C ATOM 1599 CD GLU A 95 -1.957 1.751 -14.092 1.00 0.00 C ATOM 1600 OE1 GLU A 95 -1.253 0.776 -13.753 1.00 0.00 O ATOM 1601 OE2 GLU A 95 -2.709 1.737 -15.089 1.00 0.00 O ATOM 0 H GLU A 95 -1.134 3.944 -9.722 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.258 4.266 -11.539 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.786 2.952 -11.426 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.945 1.650 -11.602 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.791 3.608 -13.437 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.043 3.610 -13.559 1.00 0.00 H new ATOM 1608 N ILE A 96 -3.494 1.703 -9.461 1.00 0.00 N ATOM 1609 CA ILE A 96 -4.420 0.764 -8.861 1.00 0.00 C ATOM 1610 C ILE A 96 -5.370 1.490 -7.919 1.00 0.00 C ATOM 1611 O ILE A 96 -6.546 1.141 -7.808 1.00 0.00 O ATOM 1612 CB ILE A 96 -3.675 -0.329 -8.085 1.00 0.00 C ATOM 1613 CG1 ILE A 96 -2.532 -0.891 -8.933 1.00 0.00 C ATOM 1614 CG2 ILE A 96 -4.633 -1.433 -7.665 1.00 0.00 C ATOM 1615 CD1 ILE A 96 -2.954 -1.287 -10.334 1.00 0.00 C ATOM 0 H ILE A 96 -2.541 1.642 -9.103 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.987 0.297 -9.666 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.250 0.109 -7.182 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.739 -0.146 -8.998 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.111 -1.761 -8.430 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.086 -2.200 -7.116 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.412 -1.016 -7.027 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.088 -1.876 -8.551 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.093 -1.677 -10.877 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.726 -2.055 -10.278 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.347 -0.415 -10.856 1.00 0.00 H new ATOM 1627 N TRP A 97 -4.849 2.516 -7.253 1.00 0.00 N ATOM 1628 CA TRP A 97 -5.644 3.313 -6.329 1.00 0.00 C ATOM 1629 C TRP A 97 -6.894 3.834 -7.027 1.00 0.00 C ATOM 1630 O TRP A 97 -7.978 3.868 -6.446 1.00 0.00 O ATOM 1631 CB TRP A 97 -4.816 4.486 -5.797 1.00 0.00 C ATOM 1632 CG TRP A 97 -5.304 5.008 -4.480 1.00 0.00 C ATOM 1633 CD1 TRP A 97 -5.690 6.286 -4.196 1.00 0.00 C ATOM 1634 CD2 TRP A 97 -5.454 4.263 -3.268 1.00 0.00 C ATOM 1635 NE1 TRP A 97 -6.075 6.381 -2.880 1.00 0.00 N ATOM 1636 CE2 TRP A 97 -5.937 5.150 -2.289 1.00 0.00 C ATOM 1637 CE3 TRP A 97 -5.227 2.929 -2.917 1.00 0.00 C ATOM 1638 CZ2 TRP A 97 -6.198 4.745 -0.980 1.00 0.00 C ATOM 1639 CZ3 TRP A 97 -5.486 2.528 -1.621 1.00 0.00 C ATOM 1640 CH2 TRP A 97 -5.966 3.431 -0.666 1.00 0.00 C ATOM 0 H TRP A 97 -3.877 2.814 -7.337 1.00 0.00 H new ATOM 0 HA TRP A 97 -5.943 2.683 -5.492 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -3.778 4.171 -5.693 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -4.832 5.294 -6.528 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.693 7.103 -4.902 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -6.408 7.227 -2.418 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.856 2.224 -3.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -6.569 5.440 -0.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.315 1.499 -1.340 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -6.158 3.086 0.339 1.00 0.00 H new ATOM 1651 N GLU A 98 -6.730 4.225 -8.285 1.00 0.00 N ATOM 1652 CA GLU A 98 -7.838 4.735 -9.082 1.00 0.00 C ATOM 1653 C GLU A 98 -8.600 3.586 -9.741 1.00 0.00 C ATOM 1654 O GLU A 98 -9.785 3.711 -10.051 1.00 0.00 O ATOM 1655 CB GLU A 98 -7.324 5.702 -10.152 1.00 0.00 C ATOM 1656 CG GLU A 98 -8.195 6.935 -10.327 1.00 0.00 C ATOM 1657 CD GLU A 98 -7.387 8.179 -10.639 1.00 0.00 C ATOM 1658 OE1 GLU A 98 -6.663 8.657 -9.741 1.00 0.00 O ATOM 1659 OE2 GLU A 98 -7.478 8.673 -11.782 1.00 0.00 O ATOM 0 H GLU A 98 -5.837 4.198 -8.776 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.518 5.270 -8.419 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.313 6.016 -9.891 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.259 5.176 -11.104 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.910 6.759 -11.131 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.772 7.100 -9.417 1.00 0.00 H new ATOM 1666 N ARG A 99 -7.907 2.469 -9.958 1.00 0.00 N ATOM 1667 CA ARG A 99 -8.513 1.298 -10.585 1.00 0.00 C ATOM 1668 C ARG A 99 -9.747 0.832 -9.818 1.00 0.00 C ATOM 1669 O ARG A 99 -10.829 0.694 -10.390 1.00 0.00 O ATOM 1670 CB ARG A 99 -7.500 0.157 -10.664 1.00 0.00 C ATOM 1671 CG ARG A 99 -6.619 0.210 -11.902 1.00 0.00 C ATOM 1672 CD ARG A 99 -7.043 -0.817 -12.941 1.00 0.00 C ATOM 1673 NE ARG A 99 -8.494 -0.842 -13.130 1.00 0.00 N ATOM 1674 CZ ARG A 99 -9.309 -1.730 -12.561 1.00 0.00 C ATOM 1675 NH1 ARG A 99 -8.829 -2.665 -11.749 1.00 0.00 N ATOM 1676 NH2 ARG A 99 -10.612 -1.678 -12.801 1.00 0.00 N ATOM 0 H ARG A 99 -6.925 2.351 -9.708 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.821 1.584 -11.591 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.867 0.182 -9.777 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.034 -0.793 -10.648 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.664 1.208 -12.338 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -5.582 0.033 -11.618 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -6.558 -0.593 -13.891 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -6.701 -1.805 -12.634 1.00 0.00 H new ATOM 0 HE ARG A 99 -8.908 -0.134 -13.736 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -7.828 -2.708 -11.556 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -9.461 -3.340 -11.318 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.988 -0.960 -13.420 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.238 -2.356 -12.367 1.00 0.00 H new ATOM 1690 N CYS A 100 -9.579 0.590 -8.522 1.00 0.00 N ATOM 1691 CA CYS A 100 -10.682 0.136 -7.682 1.00 0.00 C ATOM 1692 C CYS A 100 -11.521 1.312 -7.197 1.00 0.00 C ATOM 1693 O CYS A 100 -12.678 1.466 -7.588 1.00 0.00 O ATOM 1694 CB CYS A 100 -10.148 -0.656 -6.486 1.00 0.00 C ATOM 1695 SG CYS A 100 -11.392 -1.681 -5.668 1.00 0.00 S ATOM 0 H CYS A 100 -8.692 0.700 -8.031 1.00 0.00 H new ATOM 0 HA CYS A 100 -11.318 -0.513 -8.283 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -9.330 -1.294 -6.822 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -9.731 0.041 -5.759 1.00 0.00 H new ATOM 0 HG CYS A 100 -11.099 -1.795 -4.407 1.00 0.00 H new ATOM 1701 N GLY A 101 -10.930 2.142 -6.345 1.00 0.00 N ATOM 1702 CA GLY A 101 -11.639 3.294 -5.823 1.00 0.00 C ATOM 1703 C GLY A 101 -11.011 3.838 -4.554 1.00 0.00 C ATOM 1704 O GLY A 101 -11.715 4.213 -3.616 1.00 0.00 O ATOM 0 H GLY A 101 -9.973 2.037 -6.007 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.658 4.078 -6.580 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -12.675 3.019 -5.623 1.00 0.00 H new ATOM 1708 N GLY A 102 -9.683 3.881 -4.524 1.00 0.00 N ATOM 1709 CA GLY A 102 -8.984 4.387 -3.357 1.00 0.00 C ATOM 1710 C GLY A 102 -9.331 5.827 -3.059 1.00 0.00 C ATOM 1711 O GLY A 102 -9.721 6.160 -1.939 1.00 0.00 O ATOM 0 H GLY A 102 -9.079 3.575 -5.286 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.231 3.770 -2.493 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.909 4.300 -3.514 1.00 0.00 H new ATOM 1715 N ILE A 103 -9.192 6.688 -4.061 1.00 0.00 N ATOM 1716 CA ILE A 103 -9.495 8.101 -3.899 1.00 0.00 C ATOM 1717 C ILE A 103 -10.905 8.302 -3.357 1.00 0.00 C ATOM 1718 O ILE A 103 -11.128 9.134 -2.477 1.00 0.00 O ATOM 1719 CB ILE A 103 -9.350 8.855 -5.232 1.00 0.00 C ATOM 1720 CG1 ILE A 103 -8.002 8.526 -5.874 1.00 0.00 C ATOM 1721 CG2 ILE A 103 -9.493 10.355 -5.015 1.00 0.00 C ATOM 1722 CD1 ILE A 103 -8.086 7.454 -6.934 1.00 0.00 C ATOM 0 H ILE A 103 -8.871 6.430 -4.994 1.00 0.00 H new ATOM 0 HA ILE A 103 -8.778 8.503 -3.183 1.00 0.00 H new ATOM 0 HB ILE A 103 -10.144 8.534 -5.907 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -7.588 9.432 -6.317 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -7.307 8.205 -5.098 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.388 10.872 -5.969 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.475 10.570 -4.592 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -8.719 10.699 -4.328 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -7.094 7.272 -7.346 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.470 6.535 -6.492 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -8.755 7.781 -7.730 1.00 0.00 H new ATOM 1734 N GLN A 104 -11.853 7.529 -3.878 1.00 0.00 N ATOM 1735 CA GLN A 104 -13.239 7.619 -3.431 1.00 0.00 C ATOM 1736 C GLN A 104 -13.335 7.293 -1.946 1.00 0.00 C ATOM 1737 O GLN A 104 -14.018 7.981 -1.189 1.00 0.00 O ATOM 1738 CB GLN A 104 -14.124 6.667 -4.236 1.00 0.00 C ATOM 1739 CG GLN A 104 -14.721 7.297 -5.484 1.00 0.00 C ATOM 1740 CD GLN A 104 -13.752 7.311 -6.648 1.00 0.00 C ATOM 1741 OE1 GLN A 104 -13.755 6.409 -7.485 1.00 0.00 O ATOM 1742 NE2 GLN A 104 -12.912 8.339 -6.708 1.00 0.00 N ATOM 0 H GLN A 104 -11.688 6.836 -4.608 1.00 0.00 H new ATOM 0 HA GLN A 104 -13.589 8.639 -3.592 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.536 5.796 -4.525 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -14.932 6.309 -3.598 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -15.619 6.749 -5.770 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -15.029 8.318 -5.260 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -12.943 9.066 -5.993 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -12.236 8.401 -7.469 1.00 0.00 H new ATOM 1751 N TYR A 105 -12.630 6.243 -1.537 1.00 0.00 N ATOM 1752 CA TYR A 105 -12.620 5.826 -0.142 1.00 0.00 C ATOM 1753 C TYR A 105 -11.997 6.913 0.726 1.00 0.00 C ATOM 1754 O TYR A 105 -12.480 7.205 1.823 1.00 0.00 O ATOM 1755 CB TYR A 105 -11.844 4.518 0.016 1.00 0.00 C ATOM 1756 CG TYR A 105 -11.764 4.025 1.444 1.00 0.00 C ATOM 1757 CD1 TYR A 105 -12.910 3.877 2.214 1.00 0.00 C ATOM 1758 CD2 TYR A 105 -10.541 3.704 2.020 1.00 0.00 C ATOM 1759 CE1 TYR A 105 -12.840 3.427 3.519 1.00 0.00 C ATOM 1760 CE2 TYR A 105 -10.462 3.251 3.324 1.00 0.00 C ATOM 1761 CZ TYR A 105 -11.615 3.115 4.068 1.00 0.00 C ATOM 1762 OH TYR A 105 -11.540 2.665 5.367 1.00 0.00 O ATOM 0 H TYR A 105 -12.058 5.666 -2.154 1.00 0.00 H new ATOM 0 HA TYR A 105 -13.648 5.663 0.181 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -12.315 3.750 -0.598 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -10.833 4.657 -0.368 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -13.872 4.118 1.786 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.637 3.810 1.439 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -13.741 3.320 4.105 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -9.504 3.005 3.757 1.00 0.00 H new ATOM 0 HH TYR A 105 -10.617 2.407 5.571 1.00 0.00 H new ATOM 1772 N LEU A 106 -10.925 7.514 0.222 1.00 0.00 N ATOM 1773 CA LEU A 106 -10.232 8.575 0.939 1.00 0.00 C ATOM 1774 C LEU A 106 -11.100 9.824 1.021 1.00 0.00 C ATOM 1775 O LEU A 106 -11.119 10.511 2.041 1.00 0.00 O ATOM 1776 CB LEU A 106 -8.903 8.900 0.254 1.00 0.00 C ATOM 1777 CG LEU A 106 -7.672 8.745 1.143 1.00 0.00 C ATOM 1778 CD1 LEU A 106 -6.409 8.657 0.304 1.00 0.00 C ATOM 1779 CD2 LEU A 106 -7.582 9.899 2.131 1.00 0.00 C ATOM 0 H LEU A 106 -10.517 7.283 -0.684 1.00 0.00 H new ATOM 0 HA LEU A 106 -10.029 8.228 1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.790 8.252 -0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.941 9.925 -0.115 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.770 7.816 1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.544 8.547 0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.473 7.795 -0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.302 9.565 -0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.699 9.774 2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.509 10.840 1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.473 9.911 2.758 1.00 0.00 H new ATOM 1791 N GLN A 107 -11.818 10.107 -0.059 1.00 0.00 N ATOM 1792 CA GLN A 107 -12.697 11.270 -0.108 1.00 0.00 C ATOM 1793 C GLN A 107 -13.842 11.117 0.888 1.00 0.00 C ATOM 1794 O GLN A 107 -14.354 12.103 1.421 1.00 0.00 O ATOM 1795 CB GLN A 107 -13.251 11.459 -1.522 1.00 0.00 C ATOM 1796 CG GLN A 107 -12.504 12.505 -2.334 1.00 0.00 C ATOM 1797 CD GLN A 107 -13.363 13.710 -2.666 1.00 0.00 C ATOM 1798 OE1 GLN A 107 -13.961 13.782 -3.740 1.00 0.00 O ATOM 1799 NE2 GLN A 107 -13.429 14.663 -1.744 1.00 0.00 N ATOM 0 H GLN A 107 -11.809 9.548 -0.912 1.00 0.00 H new ATOM 0 HA GLN A 107 -12.116 12.152 0.162 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.211 10.506 -2.049 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -14.301 11.744 -1.457 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -11.626 12.832 -1.778 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -12.145 12.053 -3.259 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -12.917 14.561 -0.868 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -13.992 15.497 -1.912 1.00 0.00 H new ATOM 1808 N SER A 108 -14.234 9.872 1.136 1.00 0.00 N ATOM 1809 CA SER A 108 -15.314 9.578 2.071 1.00 0.00 C ATOM 1810 C SER A 108 -14.866 9.854 3.502 1.00 0.00 C ATOM 1811 O SER A 108 -15.547 10.554 4.253 1.00 0.00 O ATOM 1812 CB SER A 108 -15.756 8.120 1.933 1.00 0.00 C ATOM 1813 OG SER A 108 -16.826 7.996 1.011 1.00 0.00 O ATOM 0 H SER A 108 -13.819 9.048 0.701 1.00 0.00 H new ATOM 0 HA SER A 108 -16.159 10.225 1.836 1.00 0.00 H new ATOM 0 HB2 SER A 108 -14.914 7.511 1.602 1.00 0.00 H new ATOM 0 HB3 SER A 108 -16.064 7.736 2.906 1.00 0.00 H new ATOM 0 HG SER A 108 -17.089 7.055 0.939 1.00 0.00 H new ATOM 1819 N ALA A 109 -13.708 9.314 3.866 1.00 0.00 N ATOM 1820 CA ALA A 109 -13.157 9.518 5.199 1.00 0.00 C ATOM 1821 C ALA A 109 -12.662 10.950 5.337 1.00 0.00 C ATOM 1822 O ALA A 109 -12.738 11.554 6.409 1.00 0.00 O ATOM 1823 CB ALA A 109 -12.025 8.535 5.459 1.00 0.00 C ATOM 0 H ALA A 109 -13.134 8.732 3.256 1.00 0.00 H new ATOM 0 HA ALA A 109 -13.939 9.342 5.938 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.623 8.699 6.459 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.404 7.516 5.383 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.236 8.685 4.722 1.00 0.00 H new ATOM 1829 N ILE A 110 -12.166 11.486 4.229 1.00 0.00 N ATOM 1830 CA ILE A 110 -11.662 12.846 4.183 1.00 0.00 C ATOM 1831 C ILE A 110 -12.743 13.832 4.624 1.00 0.00 C ATOM 1832 O ILE A 110 -12.507 14.692 5.472 1.00 0.00 O ATOM 1833 CB ILE A 110 -11.175 13.192 2.754 1.00 0.00 C ATOM 1834 CG1 ILE A 110 -9.708 12.792 2.584 1.00 0.00 C ATOM 1835 CG2 ILE A 110 -11.361 14.667 2.442 1.00 0.00 C ATOM 1836 CD1 ILE A 110 -9.270 12.697 1.138 1.00 0.00 C ATOM 0 H ILE A 110 -12.103 10.989 3.341 1.00 0.00 H new ATOM 0 HA ILE A 110 -10.819 12.924 4.869 1.00 0.00 H new ATOM 0 HB ILE A 110 -11.783 12.626 2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -9.080 13.519 3.098 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -9.544 11.830 3.069 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -11.008 14.872 1.431 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.418 14.924 2.517 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -10.791 15.264 3.154 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -8.220 12.409 1.094 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.873 11.949 0.624 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.402 13.665 0.654 1.00 0.00 H new ATOM 1848 N GLU A 111 -13.931 13.689 4.046 1.00 0.00 N ATOM 1849 CA GLU A 111 -15.054 14.556 4.381 1.00 0.00 C ATOM 1850 C GLU A 111 -15.591 14.226 5.770 1.00 0.00 C ATOM 1851 O GLU A 111 -15.975 15.115 6.527 1.00 0.00 O ATOM 1852 CB GLU A 111 -16.167 14.411 3.343 1.00 0.00 C ATOM 1853 CG GLU A 111 -15.783 14.929 1.966 1.00 0.00 C ATOM 1854 CD GLU A 111 -16.305 16.329 1.704 1.00 0.00 C ATOM 1855 OE1 GLU A 111 -15.884 17.262 2.418 1.00 0.00 O ATOM 1856 OE2 GLU A 111 -17.132 16.491 0.782 1.00 0.00 O ATOM 0 H GLU A 111 -14.141 12.980 3.343 1.00 0.00 H new ATOM 0 HA GLU A 111 -14.701 15.587 4.379 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -16.444 13.360 3.263 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -17.050 14.947 3.691 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -14.697 14.926 1.870 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -16.172 14.252 1.205 1.00 0.00 H new ATOM 1863 N SER A 112 -15.612 12.938 6.095 1.00 0.00 N ATOM 1864 CA SER A 112 -16.097 12.481 7.392 1.00 0.00 C ATOM 1865 C SER A 112 -15.180 12.952 8.520 1.00 0.00 C ATOM 1866 O SER A 112 -15.559 12.921 9.690 1.00 0.00 O ATOM 1867 CB SER A 112 -16.204 10.955 7.411 1.00 0.00 C ATOM 1868 OG SER A 112 -17.236 10.506 6.551 1.00 0.00 O ATOM 0 H SER A 112 -15.298 12.190 5.476 1.00 0.00 H new ATOM 0 HA SER A 112 -17.086 12.912 7.551 1.00 0.00 H new ATOM 0 HB2 SER A 112 -15.254 10.517 7.104 1.00 0.00 H new ATOM 0 HB3 SER A 112 -16.399 10.614 8.428 1.00 0.00 H new ATOM 0 HG SER A 112 -16.888 10.420 5.639 1.00 0.00 H new ATOM 1874 N ARG A 113 -13.971 13.385 8.159 1.00 0.00 N ATOM 1875 CA ARG A 113 -12.995 13.863 9.138 1.00 0.00 C ATOM 1876 C ARG A 113 -12.344 12.695 9.872 1.00 0.00 C ATOM 1877 O ARG A 113 -11.949 12.819 11.031 1.00 0.00 O ATOM 1878 CB ARG A 113 -13.649 14.814 10.147 1.00 0.00 C ATOM 1879 CG ARG A 113 -14.566 15.846 9.508 1.00 0.00 C ATOM 1880 CD ARG A 113 -13.815 17.122 9.164 1.00 0.00 C ATOM 1881 NE ARG A 113 -13.282 17.780 10.354 1.00 0.00 N ATOM 1882 CZ ARG A 113 -12.890 19.052 10.385 1.00 0.00 C ATOM 1883 NH1 ARG A 113 -12.969 19.804 9.295 1.00 0.00 N ATOM 1884 NH2 ARG A 113 -12.417 19.572 11.509 1.00 0.00 N ATOM 0 H ARG A 113 -13.644 13.414 7.193 1.00 0.00 H new ATOM 0 HA ARG A 113 -12.224 14.409 8.595 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -14.221 14.229 10.867 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.868 15.331 10.705 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -15.010 15.429 8.604 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -15.385 16.077 10.189 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -12.998 16.889 8.482 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -14.483 17.806 8.640 1.00 0.00 H new ATOM 0 HE ARG A 113 -13.206 17.233 11.212 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -13.331 19.408 8.428 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -12.667 20.778 9.324 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -12.354 18.998 12.350 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -12.117 20.546 11.533 1.00 0.00 H new ATOM 1898 N GLN A 114 -12.229 11.565 9.184 1.00 0.00 N ATOM 1899 CA GLN A 114 -11.618 10.375 9.765 1.00 0.00 C ATOM 1900 C GLN A 114 -10.197 10.192 9.242 1.00 0.00 C ATOM 1901 O GLN A 114 -9.341 9.630 9.925 1.00 0.00 O ATOM 1902 CB GLN A 114 -12.458 9.136 9.447 1.00 0.00 C ATOM 1903 CG GLN A 114 -13.692 8.997 10.323 1.00 0.00 C ATOM 1904 CD GLN A 114 -13.356 8.929 11.799 1.00 0.00 C ATOM 1905 OE1 GLN A 114 -12.204 8.711 12.176 1.00 0.00 O ATOM 1906 NE2 GLN A 114 -14.361 9.116 12.645 1.00 0.00 N ATOM 0 H GLN A 114 -12.551 11.448 8.223 1.00 0.00 H new ATOM 0 HA GLN A 114 -11.577 10.505 10.846 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -12.767 9.175 8.402 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -11.838 8.247 9.563 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -14.357 9.842 10.144 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -14.237 8.097 10.037 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -15.300 9.294 12.290 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -14.194 9.082 13.651 1.00 0.00 H new ATOM 1915 N ALA A 115 -9.955 10.672 8.027 1.00 0.00 N ATOM 1916 CA ALA A 115 -8.638 10.566 7.410 1.00 0.00 C ATOM 1917 C ALA A 115 -7.599 11.356 8.198 1.00 0.00 C ATOM 1918 O ALA A 115 -7.939 12.275 8.943 1.00 0.00 O ATOM 1919 CB ALA A 115 -8.692 11.052 5.969 1.00 0.00 C ATOM 0 H ALA A 115 -10.654 11.139 7.450 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.342 9.517 7.418 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.703 10.968 5.519 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.399 10.443 5.406 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.013 12.094 5.948 1.00 0.00 H new ATOM 1925 N ARG A 116 -6.332 10.994 8.027 1.00 0.00 N ATOM 1926 CA ARG A 116 -5.244 11.672 8.723 1.00 0.00 C ATOM 1927 C ARG A 116 -4.403 12.494 7.745 1.00 0.00 C ATOM 1928 O ARG A 116 -3.493 11.968 7.105 1.00 0.00 O ATOM 1929 CB ARG A 116 -4.360 10.653 9.448 1.00 0.00 C ATOM 1930 CG ARG A 116 -4.483 10.711 10.963 1.00 0.00 C ATOM 1931 CD ARG A 116 -3.197 10.277 11.644 1.00 0.00 C ATOM 1932 NE ARG A 116 -3.166 10.666 13.053 1.00 0.00 N ATOM 1933 CZ ARG A 116 -3.755 9.975 14.028 1.00 0.00 C ATOM 1934 NH1 ARG A 116 -4.424 8.862 13.753 1.00 0.00 N ATOM 1935 NH2 ARG A 116 -3.677 10.400 15.281 1.00 0.00 N ATOM 0 H ARG A 116 -6.033 10.236 7.413 1.00 0.00 H new ATOM 0 HA ARG A 116 -5.679 12.349 9.458 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -4.621 9.651 9.108 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -3.320 10.823 9.169 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -4.733 11.726 11.270 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -5.302 10.069 11.287 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -3.092 9.195 11.564 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -2.346 10.719 11.127 1.00 0.00 H new ATOM 0 HE ARG A 116 -2.663 11.517 13.305 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -4.489 8.531 12.790 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -4.873 8.338 14.504 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -3.166 11.256 15.498 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -4.128 9.871 16.028 1.00 0.00 H new ATOM 1949 N PRO A 117 -4.699 13.800 7.615 1.00 0.00 N ATOM 1950 CA PRO A 117 -3.967 14.693 6.709 1.00 0.00 C ATOM 1951 C PRO A 117 -2.455 14.558 6.849 1.00 0.00 C ATOM 1952 O PRO A 117 -1.917 14.614 7.955 1.00 0.00 O ATOM 1953 CB PRO A 117 -4.426 16.083 7.145 1.00 0.00 C ATOM 1954 CG PRO A 117 -5.794 15.870 7.691 1.00 0.00 C ATOM 1955 CD PRO A 117 -5.773 14.511 8.340 1.00 0.00 C ATOM 0 HA PRO A 117 -4.170 14.469 5.662 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -3.759 16.503 7.898 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -4.438 16.778 6.306 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -6.051 16.644 8.414 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -6.542 15.913 6.899 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -5.560 14.579 9.407 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -6.732 14.002 8.238 1.00 0.00 H new ATOM 1963 N THR A 118 -1.775 14.381 5.721 1.00 0.00 N ATOM 1964 CA THR A 118 -0.322 14.238 5.718 1.00 0.00 C ATOM 1965 C THR A 118 0.252 14.512 4.330 1.00 0.00 C ATOM 1966 O THR A 118 1.139 15.351 4.171 1.00 0.00 O ATOM 1967 CB THR A 118 0.076 12.835 6.181 1.00 0.00 C ATOM 1968 OG1 THR A 118 1.432 12.571 5.867 1.00 0.00 O ATOM 1969 CG2 THR A 118 -0.759 11.736 5.559 1.00 0.00 C ATOM 0 H THR A 118 -2.206 14.333 4.798 1.00 0.00 H new ATOM 0 HA THR A 118 0.090 14.971 6.411 1.00 0.00 H new ATOM 0 HB THR A 118 -0.092 12.830 7.258 1.00 0.00 H new ATOM 0 HG1 THR A 118 1.669 11.670 6.172 1.00 0.00 H new ATOM 0 HG21 THR A 118 -0.423 10.768 5.931 1.00 0.00 H new ATOM 0 HG22 THR A 118 -1.807 11.882 5.822 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.650 11.765 4.475 1.00 0.00 H new ATOM 1977 N TYR A 119 -0.257 13.802 3.328 1.00 0.00 N ATOM 1978 CA TYR A 119 0.210 13.973 1.957 1.00 0.00 C ATOM 1979 C TYR A 119 -0.821 13.455 0.957 1.00 0.00 C ATOM 1980 O TYR A 119 -1.340 14.213 0.137 1.00 0.00 O ATOM 1981 CB TYR A 119 1.544 13.251 1.752 1.00 0.00 C ATOM 1982 CG TYR A 119 2.031 13.278 0.320 1.00 0.00 C ATOM 1983 CD1 TYR A 119 2.801 14.334 -0.152 1.00 0.00 C ATOM 1984 CD2 TYR A 119 1.716 12.251 -0.558 1.00 0.00 C ATOM 1985 CE1 TYR A 119 3.243 14.363 -1.461 1.00 0.00 C ATOM 1986 CE2 TYR A 119 2.155 12.273 -1.868 1.00 0.00 C ATOM 1987 CZ TYR A 119 2.917 13.332 -2.315 1.00 0.00 C ATOM 1988 OH TYR A 119 3.355 13.358 -3.619 1.00 0.00 O ATOM 0 H TYR A 119 -0.992 13.104 3.440 1.00 0.00 H new ATOM 0 HA TYR A 119 0.352 15.040 1.783 1.00 0.00 H new ATOM 0 HB2 TYR A 119 2.298 13.709 2.392 1.00 0.00 H new ATOM 0 HB3 TYR A 119 1.440 12.214 2.073 1.00 0.00 H new ATOM 0 HD1 TYR A 119 3.058 15.144 0.514 1.00 0.00 H new ATOM 0 HD2 TYR A 119 1.118 11.421 -0.212 1.00 0.00 H new ATOM 0 HE1 TYR A 119 3.841 15.190 -1.813 1.00 0.00 H new ATOM 0 HE2 TYR A 119 1.903 11.465 -2.539 1.00 0.00 H new ATOM 0 HH TYR A 119 3.039 12.556 -4.086 1.00 0.00 H new ATOM 1998 N ALA A 120 -1.107 12.159 1.025 1.00 0.00 N ATOM 1999 CA ALA A 120 -2.069 11.541 0.119 1.00 0.00 C ATOM 2000 C ALA A 120 -3.407 12.271 0.151 1.00 0.00 C ATOM 2001 O ALA A 120 -4.007 12.534 -0.890 1.00 0.00 O ATOM 2002 CB ALA A 120 -2.257 10.074 0.469 1.00 0.00 C ATOM 0 H ALA A 120 -0.687 11.517 1.697 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.672 11.614 -0.894 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.978 9.626 -0.215 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.303 9.554 0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.626 9.988 1.491 1.00 0.00 H new ATOM 2008 N THR A 121 -3.869 12.603 1.350 1.00 0.00 N ATOM 2009 CA THR A 121 -5.134 13.307 1.504 1.00 0.00 C ATOM 2010 C THR A 121 -5.071 14.672 0.825 1.00 0.00 C ATOM 2011 O THR A 121 -6.058 15.145 0.265 1.00 0.00 O ATOM 2012 CB THR A 121 -5.479 13.464 2.986 1.00 0.00 C ATOM 2013 OG1 THR A 121 -4.306 13.420 3.778 1.00 0.00 O ATOM 2014 CG2 THR A 121 -6.418 12.391 3.495 1.00 0.00 C ATOM 0 H THR A 121 -3.389 12.397 2.226 1.00 0.00 H new ATOM 0 HA THR A 121 -5.917 12.719 1.026 1.00 0.00 H new ATOM 0 HB THR A 121 -5.976 14.430 3.070 1.00 0.00 H new ATOM 0 HG1 THR A 121 -4.366 12.673 4.410 1.00 0.00 H new ATOM 0 HG21 THR A 121 -6.623 12.559 4.552 1.00 0.00 H new ATOM 0 HG22 THR A 121 -7.352 12.428 2.934 1.00 0.00 H new ATOM 0 HG23 THR A 121 -5.956 11.412 3.366 1.00 0.00 H new ATOM 2022 N ALA A 122 -3.897 15.295 0.873 1.00 0.00 N ATOM 2023 CA ALA A 122 -3.699 16.601 0.253 1.00 0.00 C ATOM 2024 C ALA A 122 -3.693 16.480 -1.267 1.00 0.00 C ATOM 2025 O ALA A 122 -4.513 17.090 -1.959 1.00 0.00 O ATOM 2026 CB ALA A 122 -2.400 17.222 0.740 1.00 0.00 C ATOM 0 H ALA A 122 -3.069 14.917 1.334 1.00 0.00 H new ATOM 0 HA ALA A 122 -4.527 17.249 0.541 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.264 18.196 0.270 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.438 17.343 1.823 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -1.565 16.572 0.477 1.00 0.00 H new ATOM 2032 N MET A 123 -2.768 15.675 -1.777 1.00 0.00 N ATOM 2033 CA MET A 123 -2.654 15.454 -3.213 1.00 0.00 C ATOM 2034 C MET A 123 -3.961 14.903 -3.769 1.00 0.00 C ATOM 2035 O MET A 123 -4.307 15.145 -4.925 1.00 0.00 O ATOM 2036 CB MET A 123 -1.486 14.514 -3.526 1.00 0.00 C ATOM 2037 CG MET A 123 -1.533 13.200 -2.765 1.00 0.00 C ATOM 2038 SD MET A 123 -1.726 11.774 -3.854 1.00 0.00 S ATOM 2039 CE MET A 123 -3.101 12.314 -4.865 1.00 0.00 C ATOM 0 H MET A 123 -2.086 15.164 -1.217 1.00 0.00 H new ATOM 0 HA MET A 123 -2.453 16.410 -3.696 1.00 0.00 H new ATOM 0 HB2 MET A 123 -1.478 14.303 -4.595 1.00 0.00 H new ATOM 0 HB3 MET A 123 -0.550 15.023 -3.295 1.00 0.00 H new ATOM 0 HG2 MET A 123 -0.617 13.088 -2.184 1.00 0.00 H new ATOM 0 HG3 MET A 123 -2.360 13.225 -2.055 1.00 0.00 H new ATOM 0 HE1 MET A 123 -3.186 11.668 -5.739 1.00 0.00 H new ATOM 0 HE2 MET A 123 -4.022 12.262 -4.284 1.00 0.00 H new ATOM 0 HE3 MET A 123 -2.933 13.341 -5.189 1.00 0.00 H new ATOM 2049 N LEU A 124 -4.694 14.173 -2.932 1.00 0.00 N ATOM 2050 CA LEU A 124 -5.974 13.608 -3.337 1.00 0.00 C ATOM 2051 C LEU A 124 -6.991 14.721 -3.545 1.00 0.00 C ATOM 2052 O LEU A 124 -7.670 14.780 -4.571 1.00 0.00 O ATOM 2053 CB LEU A 124 -6.483 12.621 -2.287 1.00 0.00 C ATOM 2054 CG LEU A 124 -7.737 11.841 -2.684 1.00 0.00 C ATOM 2055 CD1 LEU A 124 -7.647 10.407 -2.195 1.00 0.00 C ATOM 2056 CD2 LEU A 124 -8.984 12.514 -2.134 1.00 0.00 C ATOM 0 H LEU A 124 -4.423 13.960 -1.972 1.00 0.00 H new ATOM 0 HA LEU A 124 -5.835 13.072 -4.276 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -5.688 11.910 -2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -6.690 13.168 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 124 -7.805 11.832 -3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -8.547 9.866 -2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.775 9.925 -2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -7.553 10.398 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -9.865 11.943 -2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -8.925 12.556 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.057 13.526 -2.533 1.00 0.00 H new ATOM 2068 N GLN A 125 -7.077 15.615 -2.563 1.00 0.00 N ATOM 2069 CA GLN A 125 -7.997 16.744 -2.631 1.00 0.00 C ATOM 2070 C GLN A 125 -7.787 17.515 -3.928 1.00 0.00 C ATOM 2071 O GLN A 125 -8.740 18.010 -4.532 1.00 0.00 O ATOM 2072 CB GLN A 125 -7.797 17.668 -1.428 1.00 0.00 C ATOM 2073 CG GLN A 125 -8.867 17.515 -0.360 1.00 0.00 C ATOM 2074 CD GLN A 125 -8.292 17.174 1.002 1.00 0.00 C ATOM 2075 OE1 GLN A 125 -7.847 18.054 1.738 1.00 0.00 O ATOM 2076 NE2 GLN A 125 -8.295 15.890 1.340 1.00 0.00 N ATOM 0 H GLN A 125 -6.519 15.578 -1.710 1.00 0.00 H new ATOM 0 HA GLN A 125 -9.018 16.363 -2.610 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -6.822 17.468 -0.985 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -7.784 18.702 -1.773 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -9.437 18.441 -0.287 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -9.565 16.734 -0.661 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -8.674 15.194 0.698 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -7.918 15.599 2.242 1.00 0.00 H new ATOM 2085 N ASN A 126 -6.532 17.605 -4.354 1.00 0.00 N ATOM 2086 CA ASN A 126 -6.195 18.303 -5.585 1.00 0.00 C ATOM 2087 C ASN A 126 -6.313 17.366 -6.780 1.00 0.00 C ATOM 2088 O ASN A 126 -6.610 17.795 -7.895 1.00 0.00 O ATOM 2089 CB ASN A 126 -4.780 18.880 -5.506 1.00 0.00 C ATOM 2090 CG ASN A 126 -4.598 19.801 -4.316 1.00 0.00 C ATOM 2091 OD1 ASN A 126 -5.536 20.047 -3.557 1.00 0.00 O ATOM 2092 ND2 ASN A 126 -3.384 20.315 -4.144 1.00 0.00 N ATOM 0 H ASN A 126 -5.733 17.203 -3.864 1.00 0.00 H new ATOM 0 HA ASN A 126 -6.899 19.125 -5.715 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -4.060 18.064 -5.444 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -4.562 19.428 -6.423 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -3.201 20.940 -3.359 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -2.635 20.084 -4.797 1.00 0.00 H new ATOM 2099 N LEU A 127 -6.087 16.078 -6.539 1.00 0.00 N ATOM 2100 CA LEU A 127 -6.177 15.074 -7.584 1.00 0.00 C ATOM 2101 C LEU A 127 -7.635 14.818 -7.970 1.00 0.00 C ATOM 2102 O LEU A 127 -7.912 14.142 -8.960 1.00 0.00 O ATOM 2103 CB LEU A 127 -5.510 13.780 -7.111 1.00 0.00 C ATOM 2104 CG LEU A 127 -5.875 12.522 -7.896 1.00 0.00 C ATOM 2105 CD1 LEU A 127 -4.697 11.560 -7.934 1.00 0.00 C ATOM 2106 CD2 LEU A 127 -7.095 11.852 -7.282 1.00 0.00 C ATOM 0 H LEU A 127 -5.839 15.707 -5.622 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.658 15.440 -8.470 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -4.429 13.913 -7.155 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -5.769 13.621 -6.064 1.00 0.00 H new ATOM 0 HG LEU A 127 -6.117 12.807 -8.920 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.973 10.669 -8.497 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.847 12.044 -8.415 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.425 11.277 -6.917 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -7.344 10.957 -7.852 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.878 11.577 -6.250 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -7.939 12.542 -7.304 1.00 0.00 H new ATOM 2118 N LEU A 128 -8.564 15.364 -7.185 1.00 0.00 N ATOM 2119 CA LEU A 128 -9.988 15.188 -7.457 1.00 0.00 C ATOM 2120 C LEU A 128 -10.633 16.502 -7.889 1.00 0.00 C ATOM 2121 O LEU A 128 -11.836 16.699 -7.718 1.00 0.00 O ATOM 2122 CB LEU A 128 -10.707 14.635 -6.227 1.00 0.00 C ATOM 2123 CG LEU A 128 -10.621 15.521 -4.991 1.00 0.00 C ATOM 2124 CD1 LEU A 128 -11.799 16.482 -4.938 1.00 0.00 C ATOM 2125 CD2 LEU A 128 -10.561 14.674 -3.728 1.00 0.00 C ATOM 0 H LEU A 128 -8.357 15.928 -6.361 1.00 0.00 H new ATOM 0 HA LEU A 128 -10.083 14.473 -8.274 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -11.757 14.481 -6.475 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -10.289 13.657 -5.987 1.00 0.00 H new ATOM 0 HG LEU A 128 -9.704 16.108 -5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -11.720 17.106 -4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -11.793 17.114 -5.826 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -12.729 15.915 -4.902 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -10.500 15.325 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -11.458 14.059 -3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -9.682 14.031 -3.763 1.00 0.00 H new ATOM 2137 N LYS A 129 -9.827 17.399 -8.449 1.00 0.00 N ATOM 2138 CA LYS A 129 -10.322 18.692 -8.904 1.00 0.00 C ATOM 2139 C LYS A 129 -10.536 18.695 -10.414 1.00 0.00 C ATOM 2140 O LYS A 129 -11.146 19.658 -10.923 1.00 0.00 O ATOM 2141 CB LYS A 129 -9.341 19.800 -8.513 1.00 0.00 C ATOM 2142 CG LYS A 129 -8.995 19.808 -7.034 1.00 0.00 C ATOM 2143 CD LYS A 129 -10.235 19.989 -6.175 1.00 0.00 C ATOM 2144 CE LYS A 129 -9.933 20.795 -4.922 1.00 0.00 C ATOM 2145 NZ LYS A 129 -9.855 22.256 -5.207 1.00 0.00 N ATOM 2146 OXT LYS A 129 -10.089 17.734 -11.076 1.00 0.00 O ATOM 0 H LYS A 129 -8.829 17.253 -8.598 1.00 0.00 H new ATOM 0 HA LYS A 129 -11.282 18.876 -8.421 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -8.425 19.684 -9.092 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -9.769 20.765 -8.783 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -8.501 18.873 -6.769 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -8.288 20.612 -6.829 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -11.010 20.492 -6.754 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -10.630 19.013 -5.894 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -10.707 20.611 -4.177 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -8.990 20.458 -4.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -9.648 22.771 -4.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -9.100 22.435 -5.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -10.763 22.583 -5.594 1.00 0.00 H new TER 2160 LYS A 129