USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 0 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 94 THR OG1 : rot 180:sc= -0.66 USER MOD Set 1.2: A 97 GLN : amide:sc= 0.568 K(o=-0.092,f=-2.1) USER MOD Set 2.1: A 80 LYS NZ :NH3+ -161:sc=-0.00212 (180deg=-0.164) USER MOD Set 2.2: A 110 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0609) USER MOD Set 3.1: A 69 ASN : amide:sc= -7.04! C(o=-46!,f=-45!) USER MOD Set 3.2: A 73 HIS : no HE2:sc= -15.6! C(o=-46!,f=-57!) USER MOD Set 3.3: A 76 HIS : no HE2:sc= -23.8! C(o=-46!,f=-42!) USER MOD Set 4.1: A 23 HIS : no HD1:sc= -4.03! C(o=-4.2!,f=-3.9!) USER MOD Set 4.2: A 34 THR OG1 : rot 180:sc= -0.198 USER MOD Set 5.1: A 27 ASN : amide:sc= -18.5! C(o=-20!,f=-31!) USER MOD Set 5.2: A 101 SER OG : rot 180:sc= -1.72! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -159:sc=-0.00642 (180deg=-0.248) USER MOD Single : A 12 ASN : amide:sc= -0.398 K(o=-0.4,f=-2.8!) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -7.16! C(o=-7.2!,f=-8.5!) USER MOD Single : A 35 CYS SG : rot 23:sc= 0.894 USER MOD Single : A 42 HIS : no HD1:sc= -0.0418 X(o=-0.042,f=-0.38) USER MOD Single : A 48 SER OG : rot 106:sc= 0.0822 USER MOD Single : A 50 SER OG : rot 140:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.049 X(o=-0.049,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.0147 X(o=-0.015,f=-0.069) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot -53:sc= 0.999 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 160:sc= -3.42! (180deg=-5.18!) USER MOD Single : A 95 THR OG1 : rot 174:sc= -1.52 USER MOD Single : A 99 GLN : amide:sc= -0.699 X(o=-0.7,f=-0.6) USER MOD Single : A 100 ASN : amide:sc= -0.0144 X(o=-0.014,f=-0.18) USER MOD Single : A 104 HIS : no HE2:sc= -7.19! C(o=-7.2!,f=-7.5!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -2.04! C(o=-2!,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 48 N TYR A 7 -9.489 -10.153 -3.586 1.00 0.00 N ATOM 49 CA TYR A 7 -8.146 -9.661 -3.849 1.00 0.00 C ATOM 50 C TYR A 7 -8.013 -8.190 -3.453 1.00 0.00 C ATOM 51 O TYR A 7 -7.162 -7.476 -3.980 1.00 0.00 O ATOM 52 CB TYR A 7 -7.939 -9.792 -5.360 1.00 0.00 C ATOM 53 CG TYR A 7 -8.621 -11.014 -5.978 1.00 0.00 C ATOM 54 CD1 TYR A 7 -9.990 -11.026 -6.152 1.00 0.00 C ATOM 55 CD2 TYR A 7 -7.867 -12.103 -6.364 1.00 0.00 C ATOM 56 CE1 TYR A 7 -10.632 -12.175 -6.735 1.00 0.00 C ATOM 57 CE2 TYR A 7 -8.509 -13.253 -6.946 1.00 0.00 C ATOM 58 CZ TYR A 7 -9.860 -13.232 -7.104 1.00 0.00 C ATOM 0 HA TYR A 7 -7.411 -10.225 -3.275 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -8.316 -8.893 -5.847 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -6.870 -9.842 -5.567 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -10.580 -10.173 -5.851 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.795 -12.093 -6.230 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -11.703 -12.197 -6.876 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -7.931 -14.113 -7.250 1.00 0.00 H new ATOM 59 N ARG A 8 -8.869 -7.779 -2.529 1.00 0.00 N ATOM 60 CA ARG A 8 -8.858 -6.405 -2.056 1.00 0.00 C ATOM 61 C ARG A 8 -7.917 -6.265 -0.857 1.00 0.00 C ATOM 62 O ARG A 8 -8.099 -6.931 0.161 1.00 0.00 O ATOM 63 CB ARG A 8 -10.261 -5.950 -1.652 1.00 0.00 C ATOM 64 CG ARG A 8 -10.984 -5.291 -2.828 1.00 0.00 C ATOM 65 CD ARG A 8 -10.665 -3.797 -2.900 1.00 0.00 C ATOM 66 NE ARG A 8 -11.915 -3.009 -2.825 1.00 0.00 N ATOM 67 CZ ARG A 8 -11.977 -1.681 -2.995 1.00 0.00 C ATOM 0 H ARG A 8 -9.575 -8.374 -2.095 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.507 -5.775 -2.873 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.837 -6.806 -1.300 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.194 -5.247 -0.822 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.688 -5.775 -3.759 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -12.060 -5.432 -2.723 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.000 -3.519 -2.082 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.139 -3.573 -3.828 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.784 -3.507 -2.632 1.00 0.00 H new ATOM 68 N ILE A 9 -6.934 -5.391 -1.016 1.00 0.00 N ATOM 69 CA ILE A 9 -5.965 -5.154 0.041 1.00 0.00 C ATOM 70 C ILE A 9 -6.643 -4.401 1.187 1.00 0.00 C ATOM 71 O ILE A 9 -6.453 -3.194 1.340 1.00 0.00 O ATOM 72 CB ILE A 9 -4.729 -4.446 -0.515 1.00 0.00 C ATOM 73 CG1 ILE A 9 -4.216 -5.145 -1.776 1.00 0.00 C ATOM 74 CG2 ILE A 9 -3.641 -4.321 0.554 1.00 0.00 C ATOM 75 CD1 ILE A 9 -3.383 -6.379 -1.418 1.00 0.00 C ATOM 0 H ILE A 9 -6.788 -4.838 -1.861 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.605 -6.099 0.449 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.016 -3.434 -0.802 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.059 -5.439 -2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.612 -4.451 -2.361 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.773 -3.814 0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.024 -3.745 1.397 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.350 -5.315 0.895 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.030 -6.858 -2.332 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.528 -6.078 -0.813 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.997 -7.081 -0.854 1.00 0.00 H new ATOM 76 N LYS A 10 -7.418 -5.142 1.964 1.00 0.00 N ATOM 77 CA LYS A 10 -8.124 -4.559 3.093 1.00 0.00 C ATOM 78 C LYS A 10 -7.458 -5.009 4.393 1.00 0.00 C ATOM 79 O LYS A 10 -7.495 -4.295 5.394 1.00 0.00 O ATOM 80 CB LYS A 10 -9.616 -4.889 3.019 1.00 0.00 C ATOM 81 CG LYS A 10 -10.372 -3.832 2.212 1.00 0.00 C ATOM 82 CD LYS A 10 -11.734 -3.532 2.843 1.00 0.00 C ATOM 83 CE LYS A 10 -11.839 -2.058 3.243 1.00 0.00 C ATOM 84 NZ LYS A 10 -12.816 -1.355 2.382 1.00 0.00 N ATOM 0 H LYS A 10 -7.573 -6.142 1.834 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.060 -3.471 3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.753 -5.868 2.561 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.030 -4.948 4.026 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.781 -2.917 2.160 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.510 -4.180 1.188 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.528 -3.779 2.138 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.879 -4.162 3.720 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.143 -1.979 4.287 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.862 -1.582 3.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.875 -0.357 2.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.510 -1.414 1.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.751 -1.799 2.483 1.00 0.00 H new ATOM 85 N LYS A 11 -6.863 -6.192 4.338 1.00 0.00 N ATOM 86 CA LYS A 11 -6.190 -6.747 5.500 1.00 0.00 C ATOM 87 C LYS A 11 -4.744 -6.243 5.534 1.00 0.00 C ATOM 88 O LYS A 11 -4.173 -5.915 4.496 1.00 0.00 O ATOM 89 CB LYS A 11 -6.310 -8.272 5.513 1.00 0.00 C ATOM 90 CG LYS A 11 -7.293 -8.735 6.590 1.00 0.00 C ATOM 91 CD LYS A 11 -8.678 -8.993 5.993 1.00 0.00 C ATOM 92 CE LYS A 11 -9.781 -8.526 6.945 1.00 0.00 C ATOM 93 NZ LYS A 11 -9.593 -9.119 8.287 1.00 0.00 N ATOM 0 H LYS A 11 -6.833 -6.782 3.506 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.670 -6.406 6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.643 -8.623 4.536 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.331 -8.716 5.694 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.921 -9.645 7.061 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.365 -7.978 7.371 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.770 -8.472 5.040 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.797 -10.057 5.787 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.771 -7.438 7.017 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.756 -8.810 6.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.494 -9.098 8.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.273 -10.104 8.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.879 -8.573 8.811 1.00 0.00 H new ATOM 94 N ASN A 12 -4.195 -6.200 6.740 1.00 0.00 N ATOM 95 CA ASN A 12 -2.828 -5.744 6.923 1.00 0.00 C ATOM 96 C ASN A 12 -1.863 -6.841 6.473 1.00 0.00 C ATOM 97 O ASN A 12 -0.745 -6.554 6.047 1.00 0.00 O ATOM 98 CB ASN A 12 -2.543 -5.437 8.395 1.00 0.00 C ATOM 99 CG ASN A 12 -2.115 -3.979 8.578 1.00 0.00 C ATOM 100 OD1 ASN A 12 -1.899 -3.244 7.629 1.00 0.00 O ATOM 101 ND2 ASN A 12 -2.005 -3.604 9.849 1.00 0.00 N ATOM 0 H ASN A 12 -4.672 -6.473 7.599 1.00 0.00 H new ATOM 0 HA ASN A 12 -2.693 -4.838 6.332 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.434 -5.636 8.991 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.759 -6.099 8.763 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -1.725 -2.650 10.077 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.201 -4.270 10.596 1.00 0.00 H new ATOM 102 N ALA A 13 -2.331 -8.077 6.581 1.00 0.00 N ATOM 103 CA ALA A 13 -1.522 -9.220 6.190 1.00 0.00 C ATOM 104 C ALA A 13 -1.030 -9.024 4.755 1.00 0.00 C ATOM 105 O ALA A 13 0.125 -9.309 4.447 1.00 0.00 O ATOM 106 CB ALA A 13 -2.339 -10.503 6.357 1.00 0.00 C ATOM 0 H ALA A 13 -3.259 -8.311 6.933 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.644 -9.307 6.830 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.733 -11.361 6.064 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.639 -10.610 7.399 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.227 -10.454 5.727 1.00 0.00 H new ATOM 107 N ASP A 14 -1.934 -8.538 3.915 1.00 0.00 N ATOM 108 CA ASP A 14 -1.606 -8.301 2.519 1.00 0.00 C ATOM 109 C ASP A 14 -0.560 -7.188 2.427 1.00 0.00 C ATOM 110 O ASP A 14 0.205 -7.128 1.466 1.00 0.00 O ATOM 111 CB ASP A 14 -2.840 -7.857 1.731 1.00 0.00 C ATOM 112 CG ASP A 14 -3.948 -8.906 1.620 1.00 0.00 C ATOM 113 OD1 ASP A 14 -4.592 -9.165 2.660 1.00 0.00 O ATOM 114 OD2 ASP A 14 -4.127 -9.426 0.498 1.00 0.00 O ATOM 0 H ASP A 14 -2.892 -8.302 4.174 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.226 -9.232 2.099 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.251 -6.964 2.202 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.528 -7.572 0.726 1.00 0.00 H new ATOM 115 N PHE A 15 -0.561 -6.334 3.439 1.00 0.00 N ATOM 116 CA PHE A 15 0.377 -5.226 3.485 1.00 0.00 C ATOM 117 C PHE A 15 1.681 -5.640 4.171 1.00 0.00 C ATOM 118 O PHE A 15 2.755 -5.155 3.815 1.00 0.00 O ATOM 119 CB PHE A 15 -0.283 -4.113 4.302 1.00 0.00 C ATOM 120 CG PHE A 15 -1.216 -3.214 3.488 1.00 0.00 C ATOM 121 CD1 PHE A 15 -0.749 -2.570 2.385 1.00 0.00 C ATOM 122 CD2 PHE A 15 -2.513 -3.060 3.867 1.00 0.00 C ATOM 123 CE1 PHE A 15 -1.615 -1.736 1.631 1.00 0.00 C ATOM 124 CE2 PHE A 15 -3.379 -2.226 3.113 1.00 0.00 C ATOM 125 CZ PHE A 15 -2.912 -1.581 2.011 1.00 0.00 C ATOM 0 H PHE A 15 -1.197 -6.387 4.234 1.00 0.00 H new ATOM 0 HA PHE A 15 0.617 -4.900 2.473 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.849 -4.562 5.118 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.495 -3.498 4.754 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.281 -2.693 2.083 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.884 -3.573 4.742 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.244 -1.224 0.755 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.409 -2.104 3.415 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.571 -0.946 1.437 1.00 0.00 H new ATOM 126 N GLN A 16 1.546 -6.532 5.141 1.00 0.00 N ATOM 127 CA GLN A 16 2.699 -7.017 5.878 1.00 0.00 C ATOM 128 C GLN A 16 3.476 -8.035 5.041 1.00 0.00 C ATOM 129 O GLN A 16 4.697 -7.946 4.924 1.00 0.00 O ATOM 130 CB GLN A 16 2.279 -7.618 7.221 1.00 0.00 C ATOM 131 CG GLN A 16 3.142 -8.831 7.573 1.00 0.00 C ATOM 132 CD GLN A 16 3.162 -9.070 9.084 1.00 0.00 C ATOM 133 OE1 GLN A 16 2.321 -8.588 9.826 1.00 0.00 O ATOM 134 NE2 GLN A 16 4.166 -9.838 9.498 1.00 0.00 N ATOM 0 H GLN A 16 0.654 -6.932 5.434 1.00 0.00 H new ATOM 0 HA GLN A 16 3.354 -6.171 6.085 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.367 -6.865 8.004 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.231 -7.913 7.179 1.00 0.00 H new ATOM 0 HG2 GLN A 16 2.756 -9.716 7.066 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.159 -8.675 7.212 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.835 -10.209 8.824 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.266 -10.056 10.489 1.00 0.00 H new ATOM 135 N ARG A 17 2.735 -8.979 4.479 1.00 0.00 N ATOM 136 CA ARG A 17 3.338 -10.013 3.656 1.00 0.00 C ATOM 137 C ARG A 17 4.458 -9.422 2.796 1.00 0.00 C ATOM 138 O ARG A 17 5.548 -9.985 2.718 1.00 0.00 O ATOM 139 CB ARG A 17 2.299 -10.669 2.745 1.00 0.00 C ATOM 140 CG ARG A 17 2.112 -12.146 3.102 1.00 0.00 C ATOM 141 CD ARG A 17 1.470 -12.912 1.944 1.00 0.00 C ATOM 142 NE ARG A 17 1.377 -14.351 2.278 1.00 0.00 N ATOM 143 CZ ARG A 17 2.432 -15.171 2.367 1.00 0.00 C ATOM 0 H ARG A 17 1.722 -9.049 4.578 1.00 0.00 H new ATOM 0 HA ARG A 17 3.748 -10.770 4.324 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.347 -10.146 2.837 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.613 -10.579 1.705 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.077 -12.590 3.346 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.487 -12.233 3.991 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.477 -12.513 1.740 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.060 -12.778 1.037 1.00 0.00 H new ATOM 0 HE ARG A 17 0.451 -14.743 2.451 1.00 0.00 H new ATOM 144 N ILE A 18 4.149 -8.293 2.174 1.00 0.00 N ATOM 145 CA ILE A 18 5.116 -7.619 1.324 1.00 0.00 C ATOM 146 C ILE A 18 6.228 -7.029 2.192 1.00 0.00 C ATOM 147 O ILE A 18 7.402 -7.339 1.997 1.00 0.00 O ATOM 148 CB ILE A 18 4.418 -6.588 0.433 1.00 0.00 C ATOM 149 CG1 ILE A 18 3.029 -7.075 0.016 1.00 0.00 C ATOM 150 CG2 ILE A 18 5.287 -6.229 -0.774 1.00 0.00 C ATOM 151 CD1 ILE A 18 2.541 -6.334 -1.230 1.00 0.00 C ATOM 0 H ILE A 18 3.243 -7.829 2.242 1.00 0.00 H new ATOM 0 HA ILE A 18 5.586 -8.329 0.644 1.00 0.00 H new ATOM 0 HB ILE A 18 4.278 -5.675 1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.059 -8.146 -0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.325 -6.922 0.834 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.768 -5.495 -1.391 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.233 -5.810 -0.430 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.480 -7.126 -1.363 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.552 -6.699 -1.506 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.489 -5.266 -1.021 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.235 -6.509 -2.052 1.00 0.00 H new ATOM 152 N TYR A 19 5.820 -6.189 3.132 1.00 0.00 N ATOM 153 CA TYR A 19 6.768 -5.553 4.031 1.00 0.00 C ATOM 154 C TYR A 19 7.731 -6.580 4.629 1.00 0.00 C ATOM 155 O TYR A 19 8.827 -6.229 5.063 1.00 0.00 O ATOM 156 CB TYR A 19 5.934 -4.938 5.156 1.00 0.00 C ATOM 157 CG TYR A 19 5.188 -3.664 4.754 1.00 0.00 C ATOM 158 CD1 TYR A 19 5.785 -2.754 3.904 1.00 0.00 C ATOM 159 CD2 TYR A 19 3.918 -3.425 5.240 1.00 0.00 C ATOM 160 CE1 TYR A 19 5.082 -1.556 3.526 1.00 0.00 C ATOM 161 CE2 TYR A 19 3.216 -2.226 4.861 1.00 0.00 C ATOM 162 CZ TYR A 19 3.832 -1.350 4.022 1.00 0.00 C ATOM 0 H TYR A 19 4.845 -5.934 3.291 1.00 0.00 H new ATOM 0 HA TYR A 19 7.364 -4.812 3.499 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.211 -5.676 5.503 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.589 -4.713 5.998 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.778 -2.941 3.523 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.451 -4.137 5.904 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.537 -0.836 2.862 1.00 0.00 H new ATOM 0 HE2 TYR A 19 2.222 -2.027 5.235 1.00 0.00 H new ATOM 163 N LYS A 20 7.287 -7.828 4.631 1.00 0.00 N ATOM 164 CA LYS A 20 8.097 -8.910 5.168 1.00 0.00 C ATOM 165 C LYS A 20 9.440 -8.946 4.439 1.00 0.00 C ATOM 166 O LYS A 20 10.434 -8.418 4.935 1.00 0.00 O ATOM 167 CB LYS A 20 7.329 -10.232 5.112 1.00 0.00 C ATOM 168 CG LYS A 20 7.311 -10.915 6.481 1.00 0.00 C ATOM 169 CD LYS A 20 6.290 -12.054 6.512 1.00 0.00 C ATOM 170 CE LYS A 20 6.282 -12.745 7.877 1.00 0.00 C ATOM 171 NZ LYS A 20 6.697 -14.160 7.743 1.00 0.00 N ATOM 0 H LYS A 20 6.377 -8.115 4.270 1.00 0.00 H new ATOM 0 HA LYS A 20 8.312 -8.738 6.223 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.307 -10.049 4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.789 -10.893 4.378 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.303 -11.305 6.710 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.070 -10.184 7.253 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.297 -11.663 6.292 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.526 -12.780 5.734 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.955 -12.225 8.559 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.284 -12.692 8.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.686 -14.615 8.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.039 -14.656 7.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.658 -14.204 7.348 1.00 0.00 H new ATOM 172 N LYS A 21 9.427 -9.575 3.272 1.00 0.00 N ATOM 173 CA LYS A 21 10.632 -9.688 2.470 1.00 0.00 C ATOM 174 C LYS A 21 10.313 -9.311 1.021 1.00 0.00 C ATOM 175 O LYS A 21 11.105 -9.575 0.118 1.00 0.00 O ATOM 176 CB LYS A 21 11.250 -11.079 2.621 1.00 0.00 C ATOM 177 CG LYS A 21 12.656 -10.994 3.217 1.00 0.00 C ATOM 178 CD LYS A 21 13.421 -12.303 3.009 1.00 0.00 C ATOM 179 CE LYS A 21 14.622 -12.095 2.084 1.00 0.00 C ATOM 180 NZ LYS A 21 14.911 -13.334 1.327 1.00 0.00 N ATOM 0 H LYS A 21 8.600 -10.011 2.864 1.00 0.00 H new ATOM 0 HA LYS A 21 11.390 -8.989 2.823 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.617 -11.694 3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.293 -11.569 1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.202 -10.172 2.754 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.590 -10.773 4.282 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.761 -12.687 3.971 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.755 -13.054 2.583 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.419 -11.278 1.392 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.495 -11.807 2.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.729 -13.177 0.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.125 -14.105 1.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.083 -13.592 0.753 1.00 0.00 H new ATOM 181 N GLY A 22 9.151 -8.700 0.845 1.00 0.00 N ATOM 182 CA GLY A 22 8.717 -8.284 -0.477 1.00 0.00 C ATOM 183 C GLY A 22 9.718 -7.312 -1.103 1.00 0.00 C ATOM 184 O GLY A 22 10.703 -6.937 -0.469 1.00 0.00 O ATOM 0 H GLY A 22 8.496 -8.483 1.597 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.604 -9.158 -1.118 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.738 -7.810 -0.410 1.00 0.00 H new ATOM 185 N HIS A 23 9.432 -6.932 -2.340 1.00 0.00 N ATOM 186 CA HIS A 23 10.295 -6.010 -3.058 1.00 0.00 C ATOM 187 C HIS A 23 9.490 -4.782 -3.488 1.00 0.00 C ATOM 188 O HIS A 23 8.618 -4.878 -4.351 1.00 0.00 O ATOM 189 CB HIS A 23 10.980 -6.711 -4.232 1.00 0.00 C ATOM 190 CG HIS A 23 10.133 -6.790 -5.480 1.00 0.00 C ATOM 191 ND1 HIS A 23 9.480 -7.945 -5.871 1.00 0.00 N ATOM 192 CD2 HIS A 23 9.839 -5.845 -6.418 1.00 0.00 C ATOM 193 CE1 HIS A 23 8.826 -7.696 -6.996 1.00 0.00 C ATOM 194 NE2 HIS A 23 9.050 -6.394 -7.334 1.00 0.00 N ATOM 0 H HIS A 23 8.615 -7.246 -2.863 1.00 0.00 H new ATOM 0 HA HIS A 23 11.093 -5.665 -2.400 1.00 0.00 H new ATOM 0 HB2 HIS A 23 11.905 -6.185 -4.466 1.00 0.00 H new ATOM 0 HB3 HIS A 23 11.256 -7.721 -3.928 1.00 0.00 H new ATOM 0 HD2 HIS A 23 10.189 -4.823 -6.416 1.00 0.00 H new ATOM 0 HE1 HIS A 23 8.222 -8.400 -7.548 1.00 0.00 H new ATOM 0 HE2 HIS A 23 8.674 -5.920 -8.155 1.00 0.00 H new ATOM 195 N SER A 24 9.811 -3.656 -2.867 1.00 0.00 N ATOM 196 CA SER A 24 9.128 -2.411 -3.176 1.00 0.00 C ATOM 197 C SER A 24 9.937 -1.610 -4.198 1.00 0.00 C ATOM 198 O SER A 24 11.141 -1.816 -4.340 1.00 0.00 O ATOM 199 CB SER A 24 8.900 -1.581 -1.911 1.00 0.00 C ATOM 200 OG SER A 24 10.112 -1.344 -1.202 1.00 0.00 O ATOM 0 H SER A 24 10.534 -3.580 -2.152 1.00 0.00 H new ATOM 0 HA SER A 24 8.154 -2.651 -3.602 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.445 -0.628 -2.180 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.195 -2.098 -1.260 1.00 0.00 H new ATOM 0 HG SER A 24 9.924 -0.810 -0.402 1.00 0.00 H new ATOM 201 N VAL A 25 9.243 -0.714 -4.883 1.00 0.00 N ATOM 202 CA VAL A 25 9.881 0.119 -5.888 1.00 0.00 C ATOM 203 C VAL A 25 9.267 1.520 -5.848 1.00 0.00 C ATOM 204 O VAL A 25 8.052 1.672 -5.961 1.00 0.00 O ATOM 205 CB VAL A 25 9.772 -0.543 -7.263 1.00 0.00 C ATOM 206 CG1 VAL A 25 10.674 -1.774 -7.353 1.00 0.00 C ATOM 207 CG2 VAL A 25 8.320 -0.903 -7.583 1.00 0.00 C ATOM 0 H VAL A 25 8.244 -0.546 -4.762 1.00 0.00 H new ATOM 0 HA VAL A 25 10.945 0.225 -5.677 1.00 0.00 H new ATOM 0 HB VAL A 25 10.112 0.176 -8.009 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.577 -2.225 -8.341 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.710 -1.478 -7.189 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.379 -2.498 -6.593 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.270 -1.372 -8.566 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.942 -1.595 -6.831 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.712 0.002 -7.581 1.00 0.00 H new ATOM 208 N ALA A 26 10.136 2.507 -5.687 1.00 0.00 N ATOM 209 CA ALA A 26 9.696 3.890 -5.631 1.00 0.00 C ATOM 210 C ALA A 26 10.122 4.610 -6.912 1.00 0.00 C ATOM 211 O ALA A 26 11.294 4.942 -7.080 1.00 0.00 O ATOM 212 CB ALA A 26 10.260 4.555 -4.373 1.00 0.00 C ATOM 0 H ALA A 26 11.143 2.376 -5.594 1.00 0.00 H new ATOM 0 HA ALA A 26 8.609 3.944 -5.569 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.930 5.593 -4.331 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.903 4.025 -3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.349 4.522 -4.401 1.00 0.00 H new ATOM 213 N ASN A 27 9.147 4.830 -7.781 1.00 0.00 N ATOM 214 CA ASN A 27 9.406 5.503 -9.042 1.00 0.00 C ATOM 215 C ASN A 27 10.096 6.842 -8.767 1.00 0.00 C ATOM 216 O ASN A 27 11.324 6.916 -8.737 1.00 0.00 O ATOM 217 CB ASN A 27 8.104 5.788 -9.793 1.00 0.00 C ATOM 218 CG ASN A 27 7.036 6.340 -8.847 1.00 0.00 C ATOM 219 OD1 ASN A 27 7.290 6.649 -7.695 1.00 0.00 O ATOM 220 ND2 ASN A 27 5.829 6.444 -9.396 1.00 0.00 N ATOM 0 H ASN A 27 8.176 4.554 -7.637 1.00 0.00 H new ATOM 0 HA ASN A 27 10.036 4.852 -9.648 1.00 0.00 H new ATOM 0 HB2 ASN A 27 8.291 6.504 -10.594 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.742 4.873 -10.261 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.048 6.800 -8.846 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.685 6.167 -10.367 1.00 0.00 H new ATOM 221 N ARG A 28 9.277 7.865 -8.575 1.00 0.00 N ATOM 222 CA ARG A 28 9.792 9.196 -8.304 1.00 0.00 C ATOM 223 C ARG A 28 9.209 9.736 -6.997 1.00 0.00 C ATOM 224 O ARG A 28 9.927 10.320 -6.188 1.00 0.00 O ATOM 225 CB ARG A 28 9.454 10.160 -9.443 1.00 0.00 C ATOM 226 CG ARG A 28 10.008 9.652 -10.775 1.00 0.00 C ATOM 227 CD ARG A 28 11.517 9.886 -10.866 1.00 0.00 C ATOM 228 NE ARG A 28 12.120 8.934 -11.825 1.00 0.00 N ATOM 229 CZ ARG A 28 12.085 9.086 -13.157 1.00 0.00 C ATOM 0 H ARG A 28 8.259 7.799 -8.602 1.00 0.00 H new ATOM 0 HA ARG A 28 10.876 9.120 -8.217 1.00 0.00 H new ATOM 0 HB2 ARG A 28 8.373 10.277 -9.516 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.867 11.145 -9.225 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.794 8.588 -10.880 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.507 10.160 -11.599 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.716 10.910 -11.183 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.972 9.763 -9.883 1.00 0.00 H new ATOM 0 HE ARG A 28 12.592 8.111 -11.450 1.00 0.00 H new ATOM 230 N GLN A 29 7.912 9.519 -6.831 1.00 0.00 N ATOM 231 CA GLN A 29 7.224 9.976 -5.635 1.00 0.00 C ATOM 232 C GLN A 29 6.206 8.931 -5.177 1.00 0.00 C ATOM 233 O GLN A 29 5.391 9.198 -4.295 1.00 0.00 O ATOM 234 CB GLN A 29 6.552 11.330 -5.875 1.00 0.00 C ATOM 235 CG GLN A 29 7.519 12.314 -6.536 1.00 0.00 C ATOM 236 CD GLN A 29 7.216 12.461 -8.029 1.00 0.00 C ATOM 237 OE1 GLN A 29 8.087 12.361 -8.878 1.00 0.00 O ATOM 238 NE2 GLN A 29 5.937 12.702 -8.300 1.00 0.00 N ATOM 0 H GLN A 29 7.320 9.033 -7.504 1.00 0.00 H new ATOM 0 HA GLN A 29 7.960 10.108 -4.842 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.674 11.197 -6.508 1.00 0.00 H new ATOM 0 HB3 GLN A 29 6.203 11.739 -4.927 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.444 13.286 -6.049 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.544 11.968 -6.402 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.260 12.774 -7.541 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.633 12.815 -9.267 1.00 0.00 H new ATOM 239 N PHE A 30 6.284 7.763 -5.797 1.00 0.00 N ATOM 240 CA PHE A 30 5.380 6.677 -5.463 1.00 0.00 C ATOM 241 C PHE A 30 6.142 5.362 -5.288 1.00 0.00 C ATOM 242 O PHE A 30 7.046 5.056 -6.063 1.00 0.00 O ATOM 243 CB PHE A 30 4.402 6.534 -6.632 1.00 0.00 C ATOM 244 CG PHE A 30 2.972 6.190 -6.210 1.00 0.00 C ATOM 245 CD1 PHE A 30 2.471 6.680 -5.045 1.00 0.00 C ATOM 246 CD2 PHE A 30 2.202 5.394 -7.000 1.00 0.00 C ATOM 247 CE1 PHE A 30 1.143 6.361 -4.653 1.00 0.00 C ATOM 248 CE2 PHE A 30 0.876 5.075 -6.608 1.00 0.00 C ATOM 249 CZ PHE A 30 0.374 5.566 -5.444 1.00 0.00 C ATOM 0 H PHE A 30 6.960 7.545 -6.529 1.00 0.00 H new ATOM 0 HA PHE A 30 4.867 6.895 -4.526 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.389 7.466 -7.197 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.768 5.758 -7.305 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.082 7.312 -4.418 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.600 5.005 -7.926 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.745 6.750 -3.727 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.265 4.442 -7.235 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.636 5.325 -5.147 1.00 0.00 H new ATOM 250 N VAL A 31 5.749 4.620 -4.263 1.00 0.00 N ATOM 251 CA VAL A 31 6.384 3.344 -3.975 1.00 0.00 C ATOM 252 C VAL A 31 5.386 2.214 -4.229 1.00 0.00 C ATOM 253 O VAL A 31 4.231 2.295 -3.814 1.00 0.00 O ATOM 254 CB VAL A 31 6.936 3.345 -2.548 1.00 0.00 C ATOM 255 CG1 VAL A 31 7.210 4.772 -2.067 1.00 0.00 C ATOM 256 CG2 VAL A 31 5.988 2.617 -1.593 1.00 0.00 C ATOM 0 H VAL A 31 4.999 4.878 -3.622 1.00 0.00 H new ATOM 0 HA VAL A 31 7.234 3.182 -4.638 1.00 0.00 H new ATOM 0 HB VAL A 31 7.883 2.806 -2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.602 4.744 -1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.940 5.244 -2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.283 5.346 -2.083 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.404 2.632 -0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.018 3.115 -1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.865 1.584 -1.919 1.00 0.00 H new ATOM 257 N VAL A 32 5.868 1.184 -4.909 1.00 0.00 N ATOM 258 CA VAL A 32 5.033 0.037 -5.224 1.00 0.00 C ATOM 259 C VAL A 32 5.588 -1.201 -4.519 1.00 0.00 C ATOM 260 O VAL A 32 6.541 -1.816 -4.995 1.00 0.00 O ATOM 261 CB VAL A 32 4.928 -0.134 -6.741 1.00 0.00 C ATOM 262 CG1 VAL A 32 5.122 -1.597 -7.142 1.00 0.00 C ATOM 263 CG2 VAL A 32 3.596 0.407 -7.264 1.00 0.00 C ATOM 0 H VAL A 32 6.827 1.120 -5.251 1.00 0.00 H new ATOM 0 HA VAL A 32 4.018 0.191 -4.858 1.00 0.00 H new ATOM 0 HB VAL A 32 5.728 0.448 -7.200 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.043 -1.691 -8.225 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.107 -1.935 -6.820 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.355 -2.209 -6.668 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.548 0.273 -8.345 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.774 -0.133 -6.794 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.516 1.468 -7.026 1.00 0.00 H new ATOM 264 N TYR A 33 4.969 -1.532 -3.396 1.00 0.00 N ATOM 265 CA TYR A 33 5.388 -2.686 -2.620 1.00 0.00 C ATOM 266 C TYR A 33 4.821 -3.979 -3.210 1.00 0.00 C ATOM 267 O TYR A 33 3.705 -4.379 -2.881 1.00 0.00 O ATOM 268 CB TYR A 33 4.814 -2.484 -1.217 1.00 0.00 C ATOM 269 CG TYR A 33 5.783 -1.823 -0.236 1.00 0.00 C ATOM 270 CD1 TYR A 33 6.646 -2.600 0.510 1.00 0.00 C ATOM 271 CD2 TYR A 33 5.795 -0.450 -0.097 1.00 0.00 C ATOM 272 CE1 TYR A 33 7.559 -1.977 1.434 1.00 0.00 C ATOM 273 CE2 TYR A 33 6.708 0.172 0.826 1.00 0.00 C ATOM 274 CZ TYR A 33 7.545 -0.622 1.546 1.00 0.00 C ATOM 0 H TYR A 33 4.179 -1.020 -3.004 1.00 0.00 H new ATOM 0 HA TYR A 33 6.475 -2.772 -2.617 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.914 -1.874 -1.289 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.512 -3.452 -0.817 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.637 -3.674 0.401 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.119 0.158 -0.681 1.00 0.00 H new ATOM 0 HE1 TYR A 33 8.239 -2.573 2.024 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.728 1.245 0.944 1.00 0.00 H new ATOM 275 N THR A 34 5.616 -4.597 -4.072 1.00 0.00 N ATOM 276 CA THR A 34 5.206 -5.837 -4.711 1.00 0.00 C ATOM 277 C THR A 34 6.105 -6.990 -4.262 1.00 0.00 C ATOM 278 O THR A 34 7.221 -6.767 -3.796 1.00 0.00 O ATOM 279 CB THR A 34 5.215 -5.613 -6.224 1.00 0.00 C ATOM 280 OG1 THR A 34 5.595 -6.878 -6.760 1.00 0.00 O ATOM 281 CG2 THR A 34 6.333 -4.668 -6.671 1.00 0.00 C ATOM 0 H THR A 34 6.541 -4.263 -4.343 1.00 0.00 H new ATOM 0 HA THR A 34 4.196 -6.120 -4.415 1.00 0.00 H new ATOM 0 HB THR A 34 4.252 -5.208 -6.536 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.625 -6.823 -7.738 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.294 -4.544 -7.753 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.204 -3.699 -6.190 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.299 -5.088 -6.389 1.00 0.00 H new ATOM 282 N CYS A 35 5.585 -8.198 -4.418 1.00 0.00 N ATOM 283 CA CYS A 35 6.326 -9.388 -4.033 1.00 0.00 C ATOM 284 C CYS A 35 6.301 -10.369 -5.208 1.00 0.00 C ATOM 285 O CYS A 35 5.231 -10.762 -5.670 1.00 0.00 O ATOM 286 CB CYS A 35 5.768 -10.014 -2.755 1.00 0.00 C ATOM 287 SG CYS A 35 4.171 -10.835 -3.104 1.00 0.00 S ATOM 0 H CYS A 35 4.659 -8.379 -4.806 1.00 0.00 H new ATOM 0 HA CYS A 35 7.358 -9.120 -3.806 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.478 -10.738 -2.355 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.632 -9.246 -1.994 1.00 0.00 H new ATOM 0 HG CYS A 35 4.101 -11.128 -4.369 1.00 0.00 H new ATOM 338 N HIS A 42 -3.057 -14.668 -7.724 1.00 0.00 N ATOM 339 CA HIS A 42 -4.023 -13.606 -7.954 1.00 0.00 C ATOM 340 C HIS A 42 -3.359 -12.249 -7.714 1.00 0.00 C ATOM 341 O HIS A 42 -2.255 -12.180 -7.176 1.00 0.00 O ATOM 342 CB HIS A 42 -5.273 -13.814 -7.097 1.00 0.00 C ATOM 343 CG HIS A 42 -5.582 -15.262 -6.802 1.00 0.00 C ATOM 344 ND1 HIS A 42 -6.385 -16.038 -7.619 1.00 0.00 N ATOM 345 CD2 HIS A 42 -5.187 -16.067 -5.774 1.00 0.00 C ATOM 346 CE1 HIS A 42 -6.463 -17.254 -7.096 1.00 0.00 C ATOM 347 NE2 HIS A 42 -5.721 -17.269 -5.951 1.00 0.00 N ATOM 0 HA HIS A 42 -4.356 -13.631 -8.991 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -5.148 -13.281 -6.155 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -6.128 -13.367 -7.605 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -4.547 -15.775 -4.954 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -7.017 -18.086 -7.505 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -5.597 -18.071 -5.333 1.00 0.00 H new ATOM 348 N PHE A 43 -4.060 -11.203 -8.126 1.00 0.00 N ATOM 349 CA PHE A 43 -3.552 -9.851 -7.963 1.00 0.00 C ATOM 350 C PHE A 43 -4.456 -9.033 -7.039 1.00 0.00 C ATOM 351 O PHE A 43 -5.669 -8.977 -7.241 1.00 0.00 O ATOM 352 CB PHE A 43 -3.545 -9.206 -9.350 1.00 0.00 C ATOM 353 CG PHE A 43 -4.864 -8.534 -9.732 1.00 0.00 C ATOM 354 CD1 PHE A 43 -5.151 -7.287 -9.270 1.00 0.00 C ATOM 355 CD2 PHE A 43 -5.752 -9.184 -10.532 1.00 0.00 C ATOM 356 CE1 PHE A 43 -6.377 -6.663 -9.625 1.00 0.00 C ATOM 357 CE2 PHE A 43 -6.977 -8.559 -10.886 1.00 0.00 C ATOM 358 CZ PHE A 43 -7.264 -7.313 -10.425 1.00 0.00 C ATOM 0 H PHE A 43 -4.975 -11.264 -8.572 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.556 -9.879 -7.521 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.747 -8.465 -9.390 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.310 -9.969 -10.092 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.447 -6.772 -8.634 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.525 -10.175 -10.898 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.605 -5.673 -9.260 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.681 -9.074 -11.522 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.196 -6.839 -10.694 1.00 0.00 H new ATOM 359 N ARG A 44 -3.833 -8.419 -6.044 1.00 0.00 N ATOM 360 CA ARG A 44 -4.567 -7.607 -5.088 1.00 0.00 C ATOM 361 C ARG A 44 -3.955 -6.208 -5.001 1.00 0.00 C ATOM 362 O ARG A 44 -2.917 -6.017 -4.370 1.00 0.00 O ATOM 363 CB ARG A 44 -4.556 -8.248 -3.699 1.00 0.00 C ATOM 364 CG ARG A 44 -3.173 -8.809 -3.364 1.00 0.00 C ATOM 365 CD ARG A 44 -2.964 -10.178 -4.017 1.00 0.00 C ATOM 366 NE ARG A 44 -2.503 -11.156 -3.006 1.00 0.00 N ATOM 367 CZ ARG A 44 -3.318 -11.812 -2.170 1.00 0.00 C ATOM 0 H ARG A 44 -2.828 -8.467 -5.879 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.598 -7.536 -5.435 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.843 -7.509 -2.951 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.296 -9.047 -3.658 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.403 -8.117 -3.706 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.064 -8.897 -2.283 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.895 -10.521 -4.468 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.231 -10.099 -4.820 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.502 -11.342 -2.942 1.00 0.00 H new ATOM 368 N LEU A 45 -4.625 -5.263 -5.645 1.00 0.00 N ATOM 369 CA LEU A 45 -4.161 -3.885 -5.648 1.00 0.00 C ATOM 370 C LEU A 45 -4.578 -3.208 -4.341 1.00 0.00 C ATOM 371 O LEU A 45 -5.698 -3.399 -3.869 1.00 0.00 O ATOM 372 CB LEU A 45 -4.650 -3.159 -6.902 1.00 0.00 C ATOM 373 CG LEU A 45 -3.947 -3.529 -8.210 1.00 0.00 C ATOM 374 CD1 LEU A 45 -4.547 -2.763 -9.390 1.00 0.00 C ATOM 375 CD2 LEU A 45 -2.436 -3.319 -8.099 1.00 0.00 C ATOM 0 H LEU A 45 -5.486 -5.424 -6.168 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.072 -3.849 -5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.716 -3.354 -7.018 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.538 -2.086 -6.743 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.111 -4.590 -8.398 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.030 -3.044 -10.307 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.606 -3.006 -9.481 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.434 -1.692 -9.224 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.961 -3.589 -9.042 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.230 -2.272 -7.876 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.039 -3.946 -7.300 1.00 0.00 H new ATOM 376 N GLY A 46 -3.655 -2.431 -3.794 1.00 0.00 N ATOM 377 CA GLY A 46 -3.913 -1.724 -2.551 1.00 0.00 C ATOM 378 C GLY A 46 -3.638 -0.226 -2.705 1.00 0.00 C ATOM 379 O GLY A 46 -3.046 0.201 -3.694 1.00 0.00 O ATOM 0 H GLY A 46 -2.727 -2.275 -4.189 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.949 -1.878 -2.249 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.286 -2.133 -1.759 1.00 0.00 H new ATOM 380 N ILE A 47 -4.083 0.528 -1.711 1.00 0.00 N ATOM 381 CA ILE A 47 -3.891 1.969 -1.723 1.00 0.00 C ATOM 382 C ILE A 47 -3.475 2.436 -0.328 1.00 0.00 C ATOM 383 O ILE A 47 -4.275 2.405 0.607 1.00 0.00 O ATOM 384 CB ILE A 47 -5.142 2.671 -2.258 1.00 0.00 C ATOM 385 CG1 ILE A 47 -5.492 2.172 -3.661 1.00 0.00 C ATOM 386 CG2 ILE A 47 -4.978 4.191 -2.214 1.00 0.00 C ATOM 387 CD1 ILE A 47 -6.236 0.836 -3.599 1.00 0.00 C ATOM 0 H ILE A 47 -4.575 0.169 -0.893 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.084 2.240 -2.404 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.980 2.419 -1.608 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.109 2.912 -4.171 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.581 2.058 -4.248 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.880 4.666 -2.599 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.812 4.509 -1.185 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.125 4.483 -2.826 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.473 0.504 -4.610 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.607 0.092 -3.111 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.159 0.959 -3.032 1.00 0.00 H new ATOM 388 N SER A 48 -2.222 2.858 -0.228 1.00 0.00 N ATOM 389 CA SER A 48 -1.690 3.332 1.037 1.00 0.00 C ATOM 390 C SER A 48 -1.135 4.748 0.876 1.00 0.00 C ATOM 391 O SER A 48 -0.542 5.072 -0.152 1.00 0.00 O ATOM 392 CB SER A 48 -0.601 2.392 1.562 1.00 0.00 C ATOM 393 OG SER A 48 -1.043 1.641 2.689 1.00 0.00 O ATOM 0 H SER A 48 -1.560 2.881 -1.004 1.00 0.00 H new ATOM 0 HA SER A 48 -2.502 3.349 1.764 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.297 1.710 0.768 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.279 2.974 1.836 1.00 0.00 H new ATOM 0 HG SER A 48 -1.207 0.713 2.420 1.00 0.00 H new ATOM 394 N VAL A 49 -1.348 5.554 1.906 1.00 0.00 N ATOM 395 CA VAL A 49 -0.877 6.929 1.891 1.00 0.00 C ATOM 396 C VAL A 49 0.049 7.158 3.087 1.00 0.00 C ATOM 397 O VAL A 49 0.127 6.323 3.985 1.00 0.00 O ATOM 398 CB VAL A 49 -2.068 7.889 1.863 1.00 0.00 C ATOM 399 CG1 VAL A 49 -1.597 9.345 1.871 1.00 0.00 C ATOM 400 CG2 VAL A 49 -2.969 7.610 0.658 1.00 0.00 C ATOM 0 H VAL A 49 -1.840 5.281 2.757 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.297 7.126 0.989 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.656 7.722 2.766 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.462 10.007 1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.016 9.535 2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.977 9.532 0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.808 8.306 0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.397 7.736 -0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.345 6.588 0.714 1.00 0.00 H new ATOM 401 N SER A 50 0.728 8.296 3.058 1.00 0.00 N ATOM 402 CA SER A 50 1.646 8.647 4.129 1.00 0.00 C ATOM 403 C SER A 50 0.932 9.515 5.166 1.00 0.00 C ATOM 404 O SER A 50 -0.198 9.948 4.947 1.00 0.00 O ATOM 405 CB SER A 50 2.876 9.375 3.583 1.00 0.00 C ATOM 406 OG SER A 50 4.069 8.989 4.260 1.00 0.00 O ATOM 0 H SER A 50 0.661 8.986 2.310 1.00 0.00 H new ATOM 0 HA SER A 50 1.984 7.727 4.606 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.979 9.165 2.518 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.734 10.451 3.683 1.00 0.00 H new ATOM 0 HG SER A 50 4.800 8.903 3.612 1.00 0.00 H new ATOM 407 N LYS A 51 1.621 9.743 6.275 1.00 0.00 N ATOM 408 CA LYS A 51 1.067 10.552 7.347 1.00 0.00 C ATOM 409 C LYS A 51 1.801 11.894 7.399 1.00 0.00 C ATOM 410 O LYS A 51 1.490 12.743 8.233 1.00 0.00 O ATOM 411 CB LYS A 51 1.099 9.782 8.669 1.00 0.00 C ATOM 412 CG LYS A 51 -0.248 9.110 8.945 1.00 0.00 C ATOM 413 CD LYS A 51 -0.272 8.481 10.339 1.00 0.00 C ATOM 414 CE LYS A 51 0.152 7.012 10.286 1.00 0.00 C ATOM 415 NZ LYS A 51 -0.970 6.135 10.687 1.00 0.00 N ATOM 0 H LYS A 51 2.558 9.381 6.454 1.00 0.00 H new ATOM 0 HA LYS A 51 0.016 10.770 7.156 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.886 9.028 8.636 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.344 10.463 9.485 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.049 9.844 8.860 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.437 8.344 8.193 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.395 9.032 11.002 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.275 8.559 10.760 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.478 6.757 9.278 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.003 6.849 10.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.666 5.141 10.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.263 6.367 11.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.771 6.279 10.040 1.00 0.00 H new ATOM 416 N LYS A 52 2.759 12.044 6.497 1.00 0.00 N ATOM 417 CA LYS A 52 3.539 13.268 6.429 1.00 0.00 C ATOM 418 C LYS A 52 3.099 14.081 5.211 1.00 0.00 C ATOM 419 O LYS A 52 3.337 15.286 5.145 1.00 0.00 O ATOM 420 CB LYS A 52 5.036 12.951 6.449 1.00 0.00 C ATOM 421 CG LYS A 52 5.614 13.121 7.855 1.00 0.00 C ATOM 422 CD LYS A 52 5.990 11.766 8.460 1.00 0.00 C ATOM 423 CE LYS A 52 4.845 11.206 9.306 1.00 0.00 C ATOM 424 NZ LYS A 52 4.658 9.764 9.035 1.00 0.00 N ATOM 0 H LYS A 52 3.013 11.338 5.806 1.00 0.00 H new ATOM 0 HA LYS A 52 3.356 13.886 7.308 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.200 11.929 6.106 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.560 13.608 5.755 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.494 13.763 7.815 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.885 13.619 8.494 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.235 11.064 7.663 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.883 11.874 9.076 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.058 11.359 10.364 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.924 11.746 9.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.877 9.400 9.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.433 9.626 8.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.532 9.251 9.268 1.00 0.00 H new ATOM 425 N LEU A 53 2.462 13.390 4.277 1.00 0.00 N ATOM 426 CA LEU A 53 1.986 14.034 3.065 1.00 0.00 C ATOM 427 C LEU A 53 1.437 15.419 3.410 1.00 0.00 C ATOM 428 O LEU A 53 2.046 16.434 3.072 1.00 0.00 O ATOM 429 CB LEU A 53 0.979 13.136 2.341 1.00 0.00 C ATOM 430 CG LEU A 53 1.267 12.858 0.865 1.00 0.00 C ATOM 431 CD1 LEU A 53 1.457 11.360 0.616 1.00 0.00 C ATOM 432 CD2 LEU A 53 0.178 13.454 -0.028 1.00 0.00 C ATOM 0 H LEU A 53 2.265 12.391 4.335 1.00 0.00 H new ATOM 0 HA LEU A 53 2.808 14.182 2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.929 12.182 2.867 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.007 13.594 2.418 1.00 0.00 H new ATOM 0 HG LEU A 53 2.204 13.349 0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.660 11.190 -0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.295 10.996 1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.551 10.826 0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.407 13.242 -1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.785 13.013 0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.134 14.533 0.122 1.00 0.00 H new ATOM 433 N GLY A 54 0.293 15.418 4.077 1.00 0.00 N ATOM 434 CA GLY A 54 -0.344 16.664 4.472 1.00 0.00 C ATOM 435 C GLY A 54 -1.795 16.426 4.896 1.00 0.00 C ATOM 436 O GLY A 54 -2.052 15.766 5.902 1.00 0.00 O ATOM 0 H GLY A 54 -0.210 14.575 4.354 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.210 17.115 5.295 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.315 17.371 3.643 1.00 0.00 H new ATOM 437 N ASN A 55 -2.706 16.978 4.108 1.00 0.00 N ATOM 438 CA ASN A 55 -4.124 16.835 4.389 1.00 0.00 C ATOM 439 C ASN A 55 -4.695 15.693 3.545 1.00 0.00 C ATOM 440 O ASN A 55 -3.982 15.096 2.740 1.00 0.00 O ATOM 441 CB ASN A 55 -4.888 18.113 4.036 1.00 0.00 C ATOM 442 CG ASN A 55 -5.818 18.530 5.177 1.00 0.00 C ATOM 443 OD1 ASN A 55 -5.395 19.042 6.200 1.00 0.00 O ATOM 444 ND2 ASN A 55 -7.104 18.283 4.944 1.00 0.00 N ATOM 0 H ASN A 55 -2.489 17.525 3.275 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.237 16.630 5.454 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.182 18.916 3.826 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.470 17.954 3.128 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.805 18.525 5.644 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.389 17.852 4.065 1.00 0.00 H new ATOM 445 N ALA A 56 -5.975 15.426 3.757 1.00 0.00 N ATOM 446 CA ALA A 56 -6.649 14.367 3.025 1.00 0.00 C ATOM 447 C ALA A 56 -6.761 14.763 1.552 1.00 0.00 C ATOM 448 O ALA A 56 -6.865 13.901 0.680 1.00 0.00 O ATOM 449 CB ALA A 56 -8.015 14.096 3.662 1.00 0.00 C ATOM 0 H ALA A 56 -6.563 15.924 4.425 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.076 13.441 3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.521 13.302 3.113 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.879 13.790 4.699 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.619 15.003 3.627 1.00 0.00 H new ATOM 450 N VAL A 57 -6.736 16.067 1.319 1.00 0.00 N ATOM 451 CA VAL A 57 -6.834 16.587 -0.035 1.00 0.00 C ATOM 452 C VAL A 57 -5.731 15.968 -0.895 1.00 0.00 C ATOM 453 O VAL A 57 -5.957 15.638 -2.058 1.00 0.00 O ATOM 454 CB VAL A 57 -6.786 18.116 -0.011 1.00 0.00 C ATOM 455 CG1 VAL A 57 -5.360 18.618 0.225 1.00 0.00 C ATOM 456 CG2 VAL A 57 -7.366 18.702 -1.300 1.00 0.00 C ATOM 0 H VAL A 57 -6.649 16.779 2.044 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.789 16.311 -0.483 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.402 18.457 0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.355 19.708 0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.996 18.243 1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.712 18.261 -0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.320 19.790 -1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.788 18.347 -2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.404 18.386 -1.408 1.00 0.00 H new ATOM 457 N LEU A 58 -4.560 15.828 -0.290 1.00 0.00 N ATOM 458 CA LEU A 58 -3.422 15.254 -0.986 1.00 0.00 C ATOM 459 C LEU A 58 -3.631 13.747 -1.142 1.00 0.00 C ATOM 460 O LEU A 58 -3.379 13.189 -2.209 1.00 0.00 O ATOM 461 CB LEU A 58 -2.117 15.624 -0.276 1.00 0.00 C ATOM 462 CG LEU A 58 -1.964 17.092 0.124 1.00 0.00 C ATOM 463 CD1 LEU A 58 -1.147 17.228 1.410 1.00 0.00 C ATOM 464 CD2 LEU A 58 -1.369 17.914 -1.021 1.00 0.00 C ATOM 0 H LEU A 58 -4.376 16.103 0.675 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.341 15.670 -1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.029 15.012 0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.284 15.357 -0.927 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.956 17.494 0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.053 18.282 1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.649 16.697 2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.155 16.803 1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.271 18.954 -0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.387 17.519 -1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.025 17.856 -1.890 1.00 0.00 H new ATOM 465 N ARG A 59 -4.091 13.131 -0.063 1.00 0.00 N ATOM 466 CA ARG A 59 -4.338 11.699 -0.067 1.00 0.00 C ATOM 467 C ARG A 59 -5.498 11.362 -1.006 1.00 0.00 C ATOM 468 O ARG A 59 -5.716 10.198 -1.337 1.00 0.00 O ATOM 469 CB ARG A 59 -4.666 11.193 1.340 1.00 0.00 C ATOM 470 CG ARG A 59 -4.980 9.696 1.325 1.00 0.00 C ATOM 471 CD ARG A 59 -6.474 9.447 1.546 1.00 0.00 C ATOM 472 NE ARG A 59 -6.700 8.037 1.934 1.00 0.00 N ATOM 473 CZ ARG A 59 -7.911 7.473 2.044 1.00 0.00 C ATOM 0 H ARG A 59 -4.299 13.597 0.820 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.430 11.207 -0.416 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.824 11.385 2.005 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.518 11.743 1.739 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.673 9.266 0.372 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.405 9.192 2.102 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.851 10.112 2.323 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.028 9.675 0.635 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.883 7.458 2.130 1.00 0.00 H new ATOM 474 N ASN A 60 -6.212 12.404 -1.408 1.00 0.00 N ATOM 475 CA ASN A 60 -7.344 12.233 -2.304 1.00 0.00 C ATOM 476 C ASN A 60 -6.853 12.261 -3.752 1.00 0.00 C ATOM 477 O ASN A 60 -7.367 11.533 -4.600 1.00 0.00 O ATOM 478 CB ASN A 60 -8.361 13.362 -2.126 1.00 0.00 C ATOM 479 CG ASN A 60 -9.724 12.812 -1.705 1.00 0.00 C ATOM 480 OD1 ASN A 60 -10.258 11.886 -2.295 1.00 0.00 O ATOM 481 ND2 ASN A 60 -10.257 13.432 -0.657 1.00 0.00 N ATOM 0 H ASN A 60 -6.029 13.368 -1.130 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.818 11.280 -2.070 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.001 14.065 -1.375 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.461 13.916 -3.059 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.167 13.140 -0.300 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.756 14.200 -0.210 1.00 0.00 H new ATOM 482 N LYS A 61 -5.864 13.109 -3.991 1.00 0.00 N ATOM 483 CA LYS A 61 -5.297 13.242 -5.323 1.00 0.00 C ATOM 484 C LYS A 61 -4.428 12.020 -5.627 1.00 0.00 C ATOM 485 O LYS A 61 -4.400 11.538 -6.758 1.00 0.00 O ATOM 486 CB LYS A 61 -4.556 14.573 -5.460 1.00 0.00 C ATOM 487 CG LYS A 61 -4.844 15.224 -6.814 1.00 0.00 C ATOM 488 CD LYS A 61 -5.126 16.719 -6.655 1.00 0.00 C ATOM 489 CE LYS A 61 -3.833 17.533 -6.742 1.00 0.00 C ATOM 490 NZ LYS A 61 -3.908 18.720 -5.862 1.00 0.00 N ATOM 0 H LYS A 61 -5.440 13.711 -3.285 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.088 13.266 -6.073 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.858 15.246 -4.657 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.484 14.409 -5.352 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.993 15.080 -7.479 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.700 14.737 -7.281 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.819 17.046 -7.430 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.611 16.901 -5.696 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.985 16.912 -6.453 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.662 17.847 -7.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.023 19.261 -5.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.705 19.320 -6.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.049 18.414 -4.878 1.00 0.00 H new ATOM 491 N ILE A 62 -3.738 11.553 -4.596 1.00 0.00 N ATOM 492 CA ILE A 62 -2.870 10.396 -4.738 1.00 0.00 C ATOM 493 C ILE A 62 -3.723 9.127 -4.788 1.00 0.00 C ATOM 494 O ILE A 62 -3.314 8.123 -5.370 1.00 0.00 O ATOM 495 CB ILE A 62 -1.811 10.382 -3.633 1.00 0.00 C ATOM 496 CG1 ILE A 62 -0.748 11.453 -3.880 1.00 0.00 C ATOM 497 CG2 ILE A 62 -1.198 8.989 -3.480 1.00 0.00 C ATOM 498 CD1 ILE A 62 -0.198 11.995 -2.559 1.00 0.00 C ATOM 0 H ILE A 62 -3.763 11.955 -3.659 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.318 10.447 -5.676 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.298 10.624 -2.689 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.065 11.033 -4.472 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.177 12.269 -4.461 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.449 9.006 -2.689 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.980 8.274 -3.224 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.728 8.693 -4.418 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.556 12.755 -2.763 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.010 12.436 -1.980 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.252 11.181 -1.991 1.00 0.00 H new ATOM 499 N LYS A 63 -4.892 9.213 -4.172 1.00 0.00 N ATOM 500 CA LYS A 63 -5.806 8.084 -4.138 1.00 0.00 C ATOM 501 C LYS A 63 -6.700 8.121 -5.380 1.00 0.00 C ATOM 502 O LYS A 63 -6.705 7.182 -6.174 1.00 0.00 O ATOM 503 CB LYS A 63 -6.583 8.061 -2.821 1.00 0.00 C ATOM 504 CG LYS A 63 -7.686 7.001 -2.853 1.00 0.00 C ATOM 505 CD LYS A 63 -8.501 7.018 -1.559 1.00 0.00 C ATOM 506 CE LYS A 63 -9.659 6.021 -1.626 1.00 0.00 C ATOM 507 NZ LYS A 63 -10.312 5.895 -0.304 1.00 0.00 N ATOM 0 H LYS A 63 -5.228 10.048 -3.692 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.253 7.145 -4.170 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.901 7.856 -1.996 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.021 9.042 -2.636 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.344 7.181 -3.703 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.244 6.015 -2.995 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.855 6.774 -0.715 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.890 8.021 -1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.387 6.350 -2.368 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.290 5.048 -1.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.096 5.214 -0.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.619 5.560 0.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.681 6.822 -0.009 1.00 0.00 H new ATOM 508 N ARG A 64 -7.435 9.216 -5.508 1.00 0.00 N ATOM 509 CA ARG A 64 -8.331 9.388 -6.638 1.00 0.00 C ATOM 510 C ARG A 64 -7.599 9.083 -7.947 1.00 0.00 C ATOM 511 O ARG A 64 -8.208 8.620 -8.910 1.00 0.00 O ATOM 512 CB ARG A 64 -8.884 10.813 -6.691 1.00 0.00 C ATOM 513 CG ARG A 64 -7.809 11.802 -7.149 1.00 0.00 C ATOM 514 CD ARG A 64 -7.896 12.046 -8.657 1.00 0.00 C ATOM 515 NE ARG A 64 -9.262 12.483 -9.021 1.00 0.00 N ATOM 516 CZ ARG A 64 -9.689 13.752 -8.951 1.00 0.00 C ATOM 0 H ARG A 64 -7.428 9.993 -4.847 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.161 8.693 -6.511 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.733 10.852 -7.373 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.252 11.101 -5.706 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.927 12.746 -6.617 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.822 11.415 -6.896 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.172 12.805 -8.953 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.641 11.134 -9.197 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.920 11.774 -9.346 1.00 0.00 H new ATOM 517 N ALA A 65 -6.302 9.355 -7.940 1.00 0.00 N ATOM 518 CA ALA A 65 -5.481 9.116 -9.114 1.00 0.00 C ATOM 519 C ALA A 65 -5.116 7.632 -9.182 1.00 0.00 C ATOM 520 O ALA A 65 -4.867 7.099 -10.262 1.00 0.00 O ATOM 521 CB ALA A 65 -4.246 10.018 -9.066 1.00 0.00 C ATOM 0 H ALA A 65 -5.800 9.739 -7.139 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.030 9.363 -10.023 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.630 9.839 -9.947 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.558 11.062 -9.048 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.669 9.797 -8.168 1.00 0.00 H new ATOM 522 N ILE A 66 -5.095 7.006 -8.014 1.00 0.00 N ATOM 523 CA ILE A 66 -4.764 5.594 -7.928 1.00 0.00 C ATOM 524 C ILE A 66 -5.994 4.762 -8.301 1.00 0.00 C ATOM 525 O ILE A 66 -5.873 3.585 -8.637 1.00 0.00 O ATOM 526 CB ILE A 66 -4.193 5.260 -6.548 1.00 0.00 C ATOM 527 CG1 ILE A 66 -2.902 4.450 -6.670 1.00 0.00 C ATOM 528 CG2 ILE A 66 -5.235 4.552 -5.680 1.00 0.00 C ATOM 529 CD1 ILE A 66 -3.138 3.158 -7.456 1.00 0.00 C ATOM 0 H ILE A 66 -5.302 7.451 -7.120 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.979 5.343 -8.642 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.940 6.195 -6.048 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.139 5.048 -7.167 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.523 4.211 -5.676 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.803 4.326 -4.705 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.102 5.200 -5.552 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.543 3.625 -6.164 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.204 2.600 -7.528 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.884 2.551 -6.943 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.494 3.401 -8.457 1.00 0.00 H new ATOM 530 N ARG A 67 -7.148 5.409 -8.231 1.00 0.00 N ATOM 531 CA ARG A 67 -8.398 4.744 -8.558 1.00 0.00 C ATOM 532 C ARG A 67 -8.876 5.165 -9.949 1.00 0.00 C ATOM 533 O ARG A 67 -9.829 4.597 -10.481 1.00 0.00 O ATOM 534 CB ARG A 67 -9.484 5.077 -7.532 1.00 0.00 C ATOM 535 CG ARG A 67 -10.080 3.802 -6.931 1.00 0.00 C ATOM 536 CD ARG A 67 -11.573 3.693 -7.249 1.00 0.00 C ATOM 537 NE ARG A 67 -12.362 3.737 -5.997 1.00 0.00 N ATOM 538 CZ ARG A 67 -13.694 3.867 -5.953 1.00 0.00 C ATOM 0 H ARG A 67 -7.244 6.386 -7.953 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.215 3.670 -8.542 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.063 5.695 -6.739 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.271 5.662 -8.007 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.556 2.931 -7.324 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -9.933 3.802 -5.851 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.874 4.509 -7.907 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.773 2.763 -7.782 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.859 3.664 -5.112 1.00 0.00 H new ATOM 539 N GLU A 68 -8.190 6.156 -10.499 1.00 0.00 N ATOM 540 CA GLU A 68 -8.532 6.660 -11.819 1.00 0.00 C ATOM 541 C GLU A 68 -7.491 6.210 -12.845 1.00 0.00 C ATOM 542 O GLU A 68 -7.579 6.561 -14.021 1.00 0.00 O ATOM 543 CB GLU A 68 -8.666 8.184 -11.807 1.00 0.00 C ATOM 544 CG GLU A 68 -10.052 8.609 -11.316 1.00 0.00 C ATOM 545 CD GLU A 68 -10.403 10.013 -11.814 1.00 0.00 C ATOM 546 OE1 GLU A 68 -9.768 10.967 -11.314 1.00 0.00 O ATOM 547 OE2 GLU A 68 -11.297 10.101 -12.682 1.00 0.00 O ATOM 0 H GLU A 68 -7.399 6.623 -10.055 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.499 6.245 -12.105 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -7.900 8.615 -11.162 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.496 8.576 -12.810 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.800 7.897 -11.666 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.078 8.589 -10.227 1.00 0.00 H new ATOM 548 N ASN A 69 -6.527 5.438 -12.364 1.00 0.00 N ATOM 549 CA ASN A 69 -5.470 4.936 -13.224 1.00 0.00 C ATOM 550 C ASN A 69 -5.524 3.407 -13.253 1.00 0.00 C ATOM 551 O ASN A 69 -5.865 2.813 -14.274 1.00 0.00 O ATOM 552 CB ASN A 69 -4.092 5.350 -12.704 1.00 0.00 C ATOM 553 CG ASN A 69 -2.979 4.788 -13.590 1.00 0.00 C ATOM 554 OD1 ASN A 69 -1.995 4.238 -13.122 1.00 0.00 O ATOM 555 ND2 ASN A 69 -3.188 4.955 -14.893 1.00 0.00 N ATOM 0 H ASN A 69 -6.456 5.148 -11.389 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.620 5.354 -14.220 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.023 6.437 -12.673 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.963 4.993 -11.682 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.503 4.614 -15.567 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.033 5.424 -15.218 1.00 0.00 H new ATOM 556 N PHE A 70 -5.183 2.813 -12.118 1.00 0.00 N ATOM 557 CA PHE A 70 -5.188 1.365 -12.000 1.00 0.00 C ATOM 558 C PHE A 70 -6.379 0.759 -12.744 1.00 0.00 C ATOM 559 O PHE A 70 -6.312 -0.378 -13.208 1.00 0.00 O ATOM 560 CB PHE A 70 -5.312 1.038 -10.510 1.00 0.00 C ATOM 561 CG PHE A 70 -3.999 0.603 -9.857 1.00 0.00 C ATOM 562 CD1 PHE A 70 -2.811 0.925 -10.436 1.00 0.00 C ATOM 563 CD2 PHE A 70 -4.019 -0.107 -8.697 1.00 0.00 C ATOM 564 CE1 PHE A 70 -1.593 0.521 -9.830 1.00 0.00 C ATOM 565 CE2 PHE A 70 -2.801 -0.511 -8.091 1.00 0.00 C ATOM 566 CZ PHE A 70 -1.613 -0.189 -8.670 1.00 0.00 C ATOM 0 H PHE A 70 -4.902 3.309 -11.272 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.276 0.953 -12.432 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.693 1.915 -9.987 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.049 0.245 -10.383 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.795 1.488 -11.357 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.962 -0.363 -8.237 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.650 0.777 -10.290 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.817 -1.074 -7.170 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.686 -0.497 -8.209 1.00 0.00 H new ATOM 567 N LYS A 71 -7.442 1.545 -12.834 1.00 0.00 N ATOM 568 CA LYS A 71 -8.647 1.100 -13.514 1.00 0.00 C ATOM 569 C LYS A 71 -8.278 0.570 -14.901 1.00 0.00 C ATOM 570 O LYS A 71 -9.026 -0.206 -15.493 1.00 0.00 O ATOM 571 CB LYS A 71 -9.691 2.217 -13.540 1.00 0.00 C ATOM 572 CG LYS A 71 -10.266 2.462 -12.143 1.00 0.00 C ATOM 573 CD LYS A 71 -11.254 1.360 -11.754 1.00 0.00 C ATOM 574 CE LYS A 71 -12.698 1.824 -11.950 1.00 0.00 C ATOM 575 NZ LYS A 71 -13.633 0.687 -11.801 1.00 0.00 N ATOM 0 H LYS A 71 -7.494 2.487 -12.447 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.109 0.276 -12.970 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.238 3.134 -13.917 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.495 1.953 -14.227 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.456 2.502 -11.415 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.767 3.430 -12.117 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.069 0.471 -12.357 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.097 1.077 -10.713 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.939 2.598 -11.222 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.812 2.269 -12.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.609 1.020 -11.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.413 -0.039 -12.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.536 0.280 -10.849 1.00 0.00 H new ATOM 576 N VAL A 72 -7.124 1.011 -15.381 1.00 0.00 N ATOM 577 CA VAL A 72 -6.648 0.592 -16.688 1.00 0.00 C ATOM 578 C VAL A 72 -5.643 -0.551 -16.517 1.00 0.00 C ATOM 579 O VAL A 72 -5.674 -1.525 -17.267 1.00 0.00 O ATOM 580 CB VAL A 72 -6.067 1.790 -17.442 1.00 0.00 C ATOM 581 CG1 VAL A 72 -6.955 3.024 -17.276 1.00 0.00 C ATOM 582 CG2 VAL A 72 -4.634 2.081 -16.991 1.00 0.00 C ATOM 0 H VAL A 72 -6.505 1.654 -14.888 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.473 0.213 -17.292 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.039 1.537 -18.502 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.520 3.861 -17.821 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.949 2.812 -17.669 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.030 3.279 -16.219 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.246 2.937 -17.543 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.626 2.303 -15.924 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.008 1.210 -17.184 1.00 0.00 H new ATOM 583 N HIS A 73 -4.779 -0.392 -15.525 1.00 0.00 N ATOM 584 CA HIS A 73 -3.768 -1.398 -15.247 1.00 0.00 C ATOM 585 C HIS A 73 -4.439 -2.668 -14.721 1.00 0.00 C ATOM 586 O HIS A 73 -3.834 -3.740 -14.719 1.00 0.00 O ATOM 587 CB HIS A 73 -2.705 -0.851 -14.292 1.00 0.00 C ATOM 588 CG HIS A 73 -2.204 0.526 -14.656 1.00 0.00 C ATOM 589 ND1 HIS A 73 -0.929 0.755 -15.145 1.00 0.00 N ATOM 590 CD2 HIS A 73 -2.817 1.743 -14.598 1.00 0.00 C ATOM 591 CE1 HIS A 73 -0.793 2.054 -15.366 1.00 0.00 C ATOM 592 NE2 HIS A 73 -1.965 2.665 -15.027 1.00 0.00 N ATOM 0 H HIS A 73 -4.758 0.417 -14.905 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.247 -1.658 -16.168 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -3.118 -0.822 -13.284 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.861 -1.540 -14.271 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -0.216 0.044 -15.307 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.826 1.925 -14.260 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.091 2.544 -15.748 1.00 0.00 H new ATOM 593 N LYS A 74 -5.681 -2.507 -14.289 1.00 0.00 N ATOM 594 CA LYS A 74 -6.441 -3.628 -13.761 1.00 0.00 C ATOM 595 C LYS A 74 -6.804 -4.575 -14.907 1.00 0.00 C ATOM 596 O LYS A 74 -7.196 -5.718 -14.672 1.00 0.00 O ATOM 597 CB LYS A 74 -7.651 -3.129 -12.968 1.00 0.00 C ATOM 598 CG LYS A 74 -8.310 -4.274 -12.196 1.00 0.00 C ATOM 599 CD LYS A 74 -9.829 -4.104 -12.155 1.00 0.00 C ATOM 600 CE LYS A 74 -10.408 -4.660 -10.852 1.00 0.00 C ATOM 601 NZ LYS A 74 -10.370 -3.632 -9.788 1.00 0.00 N ATOM 0 H LYS A 74 -6.180 -1.618 -14.294 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.839 -4.198 -13.053 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.339 -2.349 -12.273 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.375 -2.679 -13.647 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.059 -5.225 -12.665 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.916 -4.306 -11.180 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.083 -3.048 -12.249 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.279 -4.617 -13.005 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.435 -4.987 -11.014 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.840 -5.536 -10.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.766 -4.026 -8.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.386 -3.340 -9.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.931 -2.807 -10.082 1.00 0.00 H new ATOM 602 N SER A 75 -6.662 -4.066 -16.122 1.00 0.00 N ATOM 603 CA SER A 75 -6.970 -4.853 -17.304 1.00 0.00 C ATOM 604 C SER A 75 -5.680 -5.388 -17.927 1.00 0.00 C ATOM 605 O SER A 75 -5.554 -5.444 -19.150 1.00 0.00 O ATOM 606 CB SER A 75 -7.752 -4.026 -18.327 1.00 0.00 C ATOM 607 OG SER A 75 -8.053 -4.776 -19.501 1.00 0.00 O ATOM 0 H SER A 75 -6.338 -3.118 -16.313 1.00 0.00 H new ATOM 0 HA SER A 75 -7.595 -5.694 -17.003 1.00 0.00 H new ATOM 0 HB2 SER A 75 -8.679 -3.672 -17.875 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.173 -3.144 -18.599 1.00 0.00 H new ATOM 0 HG SER A 75 -7.230 -5.173 -19.856 1.00 0.00 H new ATOM 608 N HIS A 76 -4.754 -5.768 -17.059 1.00 0.00 N ATOM 609 CA HIS A 76 -3.478 -6.297 -17.510 1.00 0.00 C ATOM 610 C HIS A 76 -2.721 -6.893 -16.322 1.00 0.00 C ATOM 611 O HIS A 76 -2.048 -7.914 -16.459 1.00 0.00 O ATOM 612 CB HIS A 76 -2.674 -5.222 -18.245 1.00 0.00 C ATOM 613 CG HIS A 76 -1.884 -4.315 -17.333 1.00 0.00 C ATOM 614 ND1 HIS A 76 -1.908 -2.934 -17.444 1.00 0.00 N ATOM 615 CD2 HIS A 76 -1.049 -4.602 -16.294 1.00 0.00 C ATOM 616 CE1 HIS A 76 -1.119 -2.425 -16.510 1.00 0.00 C ATOM 617 NE2 HIS A 76 -0.586 -3.461 -15.798 1.00 0.00 N ATOM 0 H HIS A 76 -4.862 -5.720 -16.046 1.00 0.00 H new ATOM 0 HA HIS A 76 -3.646 -7.099 -18.229 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.989 -5.707 -18.940 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -3.357 -4.616 -18.841 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -2.443 -2.400 -18.129 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -0.805 -5.591 -15.935 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -0.930 -1.375 -16.341 1.00 0.00 H new ATOM 618 N ILE A 77 -2.857 -6.232 -15.182 1.00 0.00 N ATOM 619 CA ILE A 77 -2.195 -6.684 -13.970 1.00 0.00 C ATOM 620 C ILE A 77 -2.393 -8.194 -13.820 1.00 0.00 C ATOM 621 O ILE A 77 -3.480 -8.710 -14.074 1.00 0.00 O ATOM 622 CB ILE A 77 -2.677 -5.878 -12.763 1.00 0.00 C ATOM 623 CG1 ILE A 77 -1.520 -5.114 -12.116 1.00 0.00 C ATOM 624 CG2 ILE A 77 -3.404 -6.775 -11.759 1.00 0.00 C ATOM 625 CD1 ILE A 77 -1.311 -3.758 -12.795 1.00 0.00 C ATOM 0 H ILE A 77 -3.416 -5.386 -15.072 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.121 -6.507 -14.033 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.396 -5.137 -13.113 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.725 -4.966 -11.056 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.606 -5.704 -12.185 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.736 -6.177 -10.911 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.268 -7.234 -12.240 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.726 -7.554 -11.410 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.483 -3.235 -12.316 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.083 -3.911 -13.850 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.219 -3.161 -12.703 1.00 0.00 H new ATOM 626 N LEU A 78 -1.324 -8.860 -13.407 1.00 0.00 N ATOM 627 CA LEU A 78 -1.366 -10.301 -13.220 1.00 0.00 C ATOM 628 C LEU A 78 -1.195 -10.623 -11.733 1.00 0.00 C ATOM 629 O LEU A 78 -1.043 -9.719 -10.913 1.00 0.00 O ATOM 630 CB LEU A 78 -0.338 -10.988 -14.121 1.00 0.00 C ATOM 631 CG LEU A 78 0.871 -10.143 -14.526 1.00 0.00 C ATOM 632 CD1 LEU A 78 0.464 -9.039 -15.505 1.00 0.00 C ATOM 633 CD2 LEU A 78 1.585 -9.580 -13.295 1.00 0.00 C ATOM 0 H LEU A 78 -0.424 -8.429 -13.197 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.335 -10.697 -13.523 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.023 -11.881 -13.611 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.844 -11.321 -15.028 1.00 0.00 H new ATOM 0 HG LEU A 78 1.581 -10.789 -15.043 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.342 -8.453 -15.777 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.035 -9.487 -16.401 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.275 -8.390 -15.035 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.440 -8.983 -13.612 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.895 -8.954 -12.729 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.928 -10.401 -12.666 1.00 0.00 H new ATOM 634 N ALA A 79 -1.226 -11.912 -11.433 1.00 0.00 N ATOM 635 CA ALA A 79 -1.077 -12.365 -10.060 1.00 0.00 C ATOM 636 C ALA A 79 0.193 -11.755 -9.463 1.00 0.00 C ATOM 637 O ALA A 79 1.261 -11.818 -10.069 1.00 0.00 O ATOM 638 CB ALA A 79 -1.062 -13.894 -10.026 1.00 0.00 C ATOM 0 H ALA A 79 -1.352 -12.658 -12.117 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.919 -12.034 -9.452 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.950 -14.234 -8.996 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.997 -14.276 -10.435 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.228 -14.263 -10.623 1.00 0.00 H new ATOM 639 N LYS A 80 0.034 -11.179 -8.280 1.00 0.00 N ATOM 640 CA LYS A 80 1.155 -10.560 -7.594 1.00 0.00 C ATOM 641 C LYS A 80 0.627 -9.562 -6.561 1.00 0.00 C ATOM 642 O LYS A 80 0.055 -8.534 -6.921 1.00 0.00 O ATOM 643 CB LYS A 80 2.126 -9.943 -8.602 1.00 0.00 C ATOM 644 CG LYS A 80 3.318 -10.870 -8.852 1.00 0.00 C ATOM 645 CD LYS A 80 3.687 -10.900 -10.337 1.00 0.00 C ATOM 646 CE LYS A 80 5.062 -10.271 -10.573 1.00 0.00 C ATOM 647 NZ LYS A 80 5.924 -11.189 -11.351 1.00 0.00 N ATOM 0 H LYS A 80 -0.854 -11.128 -7.780 1.00 0.00 H new ATOM 0 HA LYS A 80 1.729 -11.310 -7.050 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.607 -9.750 -9.541 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.480 -8.982 -8.230 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.174 -10.533 -8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.077 -11.878 -8.513 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.688 -11.930 -10.694 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.934 -10.363 -10.914 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.950 -9.327 -11.107 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.533 -10.043 -9.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.920 -10.914 -11.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.791 -12.162 -11.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.667 -11.137 -12.357 1.00 0.00 H new ATOM 648 N ASP A 81 0.835 -9.900 -5.297 1.00 0.00 N ATOM 649 CA ASP A 81 0.387 -9.048 -4.210 1.00 0.00 C ATOM 650 C ASP A 81 1.204 -7.755 -4.211 1.00 0.00 C ATOM 651 O ASP A 81 2.280 -7.696 -3.617 1.00 0.00 O ATOM 652 CB ASP A 81 0.586 -9.732 -2.856 1.00 0.00 C ATOM 653 CG ASP A 81 -0.283 -9.185 -1.721 1.00 0.00 C ATOM 654 OD1 ASP A 81 -0.842 -8.084 -1.915 1.00 0.00 O ATOM 655 OD2 ASP A 81 -0.368 -9.881 -0.685 1.00 0.00 O ATOM 0 H ASP A 81 1.309 -10.754 -5.002 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.673 -8.843 -4.358 1.00 0.00 H new ATOM 0 HB2 ASP A 81 0.381 -10.796 -2.970 1.00 0.00 H new ATOM 0 HB3 ASP A 81 1.633 -9.638 -2.569 1.00 0.00 H new ATOM 656 N ILE A 82 0.664 -6.752 -4.885 1.00 0.00 N ATOM 657 CA ILE A 82 1.329 -5.463 -4.971 1.00 0.00 C ATOM 658 C ILE A 82 0.615 -4.462 -4.060 1.00 0.00 C ATOM 659 O ILE A 82 -0.441 -4.765 -3.507 1.00 0.00 O ATOM 660 CB ILE A 82 1.427 -5.007 -6.428 1.00 0.00 C ATOM 661 CG1 ILE A 82 0.111 -4.380 -6.896 1.00 0.00 C ATOM 662 CG2 ILE A 82 1.868 -6.157 -7.334 1.00 0.00 C ATOM 663 CD1 ILE A 82 0.078 -2.882 -6.587 1.00 0.00 C ATOM 0 H ILE A 82 -0.228 -6.805 -5.378 1.00 0.00 H new ATOM 0 HA ILE A 82 2.356 -5.541 -4.615 1.00 0.00 H new ATOM 0 HB ILE A 82 2.193 -4.234 -6.493 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.010 -4.537 -7.968 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.727 -4.875 -6.405 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.930 -5.806 -8.364 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.846 -6.518 -7.014 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.143 -6.969 -7.270 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.867 -2.461 -6.929 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.175 -2.730 -5.512 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.903 -2.387 -7.099 1.00 0.00 H new ATOM 664 N ILE A 83 1.219 -3.290 -3.933 1.00 0.00 N ATOM 665 CA ILE A 83 0.654 -2.243 -3.098 1.00 0.00 C ATOM 666 C ILE A 83 1.440 -0.948 -3.311 1.00 0.00 C ATOM 667 O ILE A 83 2.622 -0.872 -2.978 1.00 0.00 O ATOM 668 CB ILE A 83 0.597 -2.695 -1.637 1.00 0.00 C ATOM 669 CG1 ILE A 83 -0.746 -3.357 -1.320 1.00 0.00 C ATOM 670 CG2 ILE A 83 0.900 -1.531 -0.691 1.00 0.00 C ATOM 671 CD1 ILE A 83 -0.548 -4.806 -0.869 1.00 0.00 C ATOM 0 H ILE A 83 2.094 -3.042 -4.394 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.378 -2.041 -3.385 1.00 0.00 H new ATOM 0 HB ILE A 83 1.371 -3.446 -1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.257 -2.795 -0.538 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.386 -3.331 -2.202 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.853 -1.879 0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.898 -1.144 -0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.165 -0.740 -0.841 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.517 -5.254 -0.650 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.058 -5.370 -1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.072 -4.827 0.027 1.00 0.00 H new ATOM 672 N VAL A 84 0.751 0.040 -3.864 1.00 0.00 N ATOM 673 CA VAL A 84 1.370 1.328 -4.126 1.00 0.00 C ATOM 674 C VAL A 84 1.145 2.249 -2.925 1.00 0.00 C ATOM 675 O VAL A 84 0.036 2.329 -2.399 1.00 0.00 O ATOM 676 CB VAL A 84 0.832 1.910 -5.435 1.00 0.00 C ATOM 677 CG1 VAL A 84 0.621 0.812 -6.478 1.00 0.00 C ATOM 678 CG2 VAL A 84 -0.459 2.697 -5.197 1.00 0.00 C ATOM 0 H VAL A 84 -0.229 -0.026 -4.138 1.00 0.00 H new ATOM 0 HA VAL A 84 2.447 1.217 -4.254 1.00 0.00 H new ATOM 0 HB VAL A 84 1.578 2.602 -5.825 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.238 1.253 -7.398 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.570 0.316 -6.681 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.096 0.083 -6.099 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.819 3.100 -6.144 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.215 2.036 -4.772 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.263 3.516 -4.505 1.00 0.00 H new ATOM 679 N ILE A 85 2.215 2.923 -2.527 1.00 0.00 N ATOM 680 CA ILE A 85 2.149 3.835 -1.400 1.00 0.00 C ATOM 681 C ILE A 85 2.508 5.246 -1.868 1.00 0.00 C ATOM 682 O ILE A 85 3.289 5.413 -2.803 1.00 0.00 O ATOM 683 CB ILE A 85 3.021 3.329 -0.249 1.00 0.00 C ATOM 684 CG1 ILE A 85 3.228 1.816 -0.343 1.00 0.00 C ATOM 685 CG2 ILE A 85 2.441 3.745 1.104 1.00 0.00 C ATOM 686 CD1 ILE A 85 1.893 1.090 -0.524 1.00 0.00 C ATOM 0 H ILE A 85 3.133 2.855 -2.966 1.00 0.00 H new ATOM 0 HA ILE A 85 1.134 3.879 -1.006 1.00 0.00 H new ATOM 0 HB ILE A 85 4.003 3.795 -0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.887 1.587 -1.180 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.722 1.456 0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.080 3.372 1.904 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.388 4.832 1.158 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.440 3.327 1.215 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.069 0.016 -0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.245 1.302 0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.413 1.434 -1.440 1.00 0.00 H new ATOM 687 N ALA A 86 1.921 6.226 -1.197 1.00 0.00 N ATOM 688 CA ALA A 86 2.169 7.618 -1.533 1.00 0.00 C ATOM 689 C ALA A 86 3.351 8.134 -0.712 1.00 0.00 C ATOM 690 O ALA A 86 3.211 8.414 0.477 1.00 0.00 O ATOM 691 CB ALA A 86 0.896 8.435 -1.300 1.00 0.00 C ATOM 0 H ALA A 86 1.274 6.084 -0.422 1.00 0.00 H new ATOM 0 HA ALA A 86 2.431 7.717 -2.586 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.082 9.479 -1.552 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.095 8.047 -1.929 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.603 8.361 -0.253 1.00 0.00 H new ATOM 692 N ARG A 87 4.492 8.243 -1.378 1.00 0.00 N ATOM 693 CA ARG A 87 5.699 8.719 -0.725 1.00 0.00 C ATOM 694 C ARG A 87 5.397 9.975 0.095 1.00 0.00 C ATOM 695 O ARG A 87 4.277 10.484 0.070 1.00 0.00 O ATOM 696 CB ARG A 87 6.791 9.037 -1.749 1.00 0.00 C ATOM 697 CG ARG A 87 8.176 8.708 -1.190 1.00 0.00 C ATOM 698 CD ARG A 87 8.725 7.421 -1.810 1.00 0.00 C ATOM 699 NE ARG A 87 10.190 7.529 -1.990 1.00 0.00 N ATOM 700 CZ ARG A 87 11.027 6.484 -1.985 1.00 0.00 C ATOM 0 H ARG A 87 4.605 8.009 -2.364 1.00 0.00 H new ATOM 0 HA ARG A 87 6.055 7.927 -0.066 1.00 0.00 H new ATOM 0 HB2 ARG A 87 6.617 8.466 -2.661 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.745 10.092 -2.020 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.859 9.533 -1.391 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.119 8.599 -0.107 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.491 6.571 -1.169 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.245 7.237 -2.771 1.00 0.00 H new ATOM 0 HE ARG A 87 10.587 8.458 -2.127 1.00 0.00 H new ATOM 701 N GLN A 88 6.416 10.439 0.804 1.00 0.00 N ATOM 702 CA GLN A 88 6.273 11.626 1.631 1.00 0.00 C ATOM 703 C GLN A 88 6.225 12.880 0.755 1.00 0.00 C ATOM 704 O GLN A 88 5.347 13.725 0.922 1.00 0.00 O ATOM 705 CB GLN A 88 7.404 11.717 2.658 1.00 0.00 C ATOM 706 CG GLN A 88 6.898 11.375 4.061 1.00 0.00 C ATOM 707 CD GLN A 88 7.907 10.501 4.810 1.00 0.00 C ATOM 708 OE1 GLN A 88 8.658 10.961 5.654 1.00 0.00 O ATOM 709 NE2 GLN A 88 7.882 9.221 4.453 1.00 0.00 N ATOM 0 H GLN A 88 7.343 10.015 0.823 1.00 0.00 H new ATOM 0 HA GLN A 88 5.334 11.553 2.179 1.00 0.00 H new ATOM 0 HB2 GLN A 88 8.208 11.035 2.381 1.00 0.00 H new ATOM 0 HB3 GLN A 88 7.824 12.723 2.654 1.00 0.00 H new ATOM 0 HG2 GLN A 88 6.720 12.293 4.621 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.943 10.855 3.990 1.00 0.00 H new ATOM 0 HE21 GLN A 88 7.227 8.904 3.739 1.00 0.00 H new ATOM 0 HE22 GLN A 88 8.518 8.556 4.893 1.00 0.00 H new ATOM 710 N PRO A 89 7.207 12.964 -0.183 1.00 0.00 N ATOM 711 CA PRO A 89 7.285 14.100 -1.085 1.00 0.00 C ATOM 712 C PRO A 89 6.209 14.015 -2.169 1.00 0.00 C ATOM 713 O PRO A 89 6.182 14.833 -3.088 1.00 0.00 O ATOM 714 CB PRO A 89 8.697 14.061 -1.646 1.00 0.00 C ATOM 715 CG PRO A 89 9.204 12.649 -1.400 1.00 0.00 C ATOM 716 CD PRO A 89 8.264 11.982 -0.408 1.00 0.00 C ATOM 0 HA PRO A 89 7.096 15.049 -0.583 1.00 0.00 H new ATOM 0 HB2 PRO A 89 8.701 14.298 -2.710 1.00 0.00 H new ATOM 0 HB3 PRO A 89 9.334 14.796 -1.153 1.00 0.00 H new ATOM 0 HG2 PRO A 89 9.236 12.087 -2.333 1.00 0.00 H new ATOM 0 HG3 PRO A 89 10.220 12.671 -1.007 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.862 11.051 -0.808 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.779 11.734 0.520 1.00 0.00 H new ATOM 717 N ALA A 90 5.347 13.019 -2.025 1.00 0.00 N ATOM 718 CA ALA A 90 4.271 12.817 -2.981 1.00 0.00 C ATOM 719 C ALA A 90 3.171 13.849 -2.729 1.00 0.00 C ATOM 720 O ALA A 90 2.170 13.882 -3.444 1.00 0.00 O ATOM 721 CB ALA A 90 3.757 11.380 -2.874 1.00 0.00 C ATOM 0 H ALA A 90 5.372 12.343 -1.261 1.00 0.00 H new ATOM 0 HA ALA A 90 4.631 12.960 -4.000 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.950 11.228 -3.591 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.569 10.686 -3.090 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.385 11.201 -1.865 1.00 0.00 H new ATOM 722 N LYS A 91 3.393 14.668 -1.711 1.00 0.00 N ATOM 723 CA LYS A 91 2.433 15.700 -1.357 1.00 0.00 C ATOM 724 C LYS A 91 2.600 16.891 -2.301 1.00 0.00 C ATOM 725 O LYS A 91 1.724 17.752 -2.381 1.00 0.00 O ATOM 726 CB LYS A 91 2.561 16.065 0.124 1.00 0.00 C ATOM 727 CG LYS A 91 3.550 17.216 0.320 1.00 0.00 C ATOM 728 CD LYS A 91 4.416 16.987 1.561 1.00 0.00 C ATOM 729 CE LYS A 91 4.340 18.186 2.510 1.00 0.00 C ATOM 730 NZ LYS A 91 5.176 19.299 2.007 1.00 0.00 N ATOM 0 H LYS A 91 4.224 14.638 -1.120 1.00 0.00 H new ATOM 0 HA LYS A 91 1.414 15.333 -1.484 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.585 16.348 0.518 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.893 15.195 0.690 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.186 17.308 -0.560 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.006 18.155 0.420 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.085 16.087 2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.451 16.820 1.261 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.306 18.515 2.607 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.676 17.892 3.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.113 20.104 2.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.165 18.986 1.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.838 19.590 1.068 1.00 0.00 H new ATOM 731 N ASP A 92 3.730 16.904 -2.992 1.00 0.00 N ATOM 732 CA ASP A 92 4.023 17.977 -3.928 1.00 0.00 C ATOM 733 C ASP A 92 3.867 17.456 -5.358 1.00 0.00 C ATOM 734 O ASP A 92 4.296 18.108 -6.310 1.00 0.00 O ATOM 735 CB ASP A 92 5.459 18.477 -3.761 1.00 0.00 C ATOM 736 CG ASP A 92 5.596 19.984 -3.533 1.00 0.00 C ATOM 737 OD1 ASP A 92 4.542 20.655 -3.526 1.00 0.00 O ATOM 738 OD2 ASP A 92 6.753 20.430 -3.373 1.00 0.00 O ATOM 0 H ASP A 92 4.454 16.189 -2.923 1.00 0.00 H new ATOM 0 HA ASP A 92 3.331 18.796 -3.730 1.00 0.00 H new ATOM 0 HB2 ASP A 92 5.914 17.954 -2.920 1.00 0.00 H new ATOM 0 HB3 ASP A 92 6.028 18.206 -4.650 1.00 0.00 H new ATOM 739 N MET A 93 3.252 16.288 -5.466 1.00 0.00 N ATOM 740 CA MET A 93 3.035 15.673 -6.764 1.00 0.00 C ATOM 741 C MET A 93 1.590 15.868 -7.228 1.00 0.00 C ATOM 742 O MET A 93 0.670 15.899 -6.412 1.00 0.00 O ATOM 743 CB MET A 93 3.346 14.177 -6.679 1.00 0.00 C ATOM 744 CG MET A 93 3.073 13.484 -8.015 1.00 0.00 C ATOM 745 SD MET A 93 2.884 11.727 -7.764 1.00 0.00 S ATOM 746 CE MET A 93 1.801 11.731 -6.345 1.00 0.00 C ATOM 0 H MET A 93 2.897 15.751 -4.675 1.00 0.00 H new ATOM 0 HA MET A 93 3.697 16.150 -7.486 1.00 0.00 H new ATOM 0 HB2 MET A 93 4.389 14.034 -6.398 1.00 0.00 H new ATOM 0 HB3 MET A 93 2.740 13.720 -5.897 1.00 0.00 H new ATOM 0 HG2 MET A 93 2.171 13.894 -8.469 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.893 13.675 -8.707 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.300 10.766 -6.267 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.385 11.911 -5.442 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.056 12.518 -6.458 1.00 0.00 H new ATOM 747 N THR A 94 1.435 15.996 -8.538 1.00 0.00 N ATOM 748 CA THR A 94 0.118 16.189 -9.120 1.00 0.00 C ATOM 749 C THR A 94 -0.366 14.897 -9.784 1.00 0.00 C ATOM 750 O THR A 94 0.439 14.118 -10.293 1.00 0.00 O ATOM 751 CB THR A 94 0.195 17.375 -10.084 1.00 0.00 C ATOM 752 OG1 THR A 94 1.480 17.248 -10.687 1.00 0.00 O ATOM 753 CG2 THR A 94 0.256 18.718 -9.355 1.00 0.00 C ATOM 0 H THR A 94 2.200 15.970 -9.212 1.00 0.00 H new ATOM 0 HA THR A 94 -0.622 16.422 -8.354 1.00 0.00 H new ATOM 0 HB THR A 94 -0.670 17.361 -10.747 1.00 0.00 H new ATOM 0 HG1 THR A 94 1.614 17.977 -11.329 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.310 19.526 -10.085 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.637 18.841 -8.743 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.139 18.746 -8.717 1.00 0.00 H new ATOM 754 N THR A 95 -1.677 14.710 -9.756 1.00 0.00 N ATOM 755 CA THR A 95 -2.277 13.526 -10.347 1.00 0.00 C ATOM 756 C THR A 95 -1.746 13.313 -11.767 1.00 0.00 C ATOM 757 O THR A 95 -1.780 12.197 -12.284 1.00 0.00 O ATOM 758 CB THR A 95 -3.797 13.686 -10.285 1.00 0.00 C ATOM 759 OG1 THR A 95 -4.143 13.209 -8.988 1.00 0.00 O ATOM 760 CG2 THR A 95 -4.526 12.735 -11.238 1.00 0.00 C ATOM 0 H THR A 95 -2.341 15.359 -9.333 1.00 0.00 H new ATOM 0 HA THR A 95 -2.007 12.627 -9.793 1.00 0.00 H new ATOM 0 HB THR A 95 -4.064 14.715 -10.525 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.097 13.366 -8.825 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.602 12.890 -11.154 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.210 12.933 -12.262 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.286 11.704 -10.977 1.00 0.00 H new ATOM 761 N LEU A 96 -1.268 14.399 -12.355 1.00 0.00 N ATOM 762 CA LEU A 96 -0.731 14.344 -13.704 1.00 0.00 C ATOM 763 C LEU A 96 0.534 13.484 -13.710 1.00 0.00 C ATOM 764 O LEU A 96 0.753 12.700 -14.633 1.00 0.00 O ATOM 765 CB LEU A 96 -0.517 15.756 -14.254 1.00 0.00 C ATOM 766 CG LEU A 96 -0.078 15.847 -15.717 1.00 0.00 C ATOM 767 CD1 LEU A 96 1.440 15.707 -15.842 1.00 0.00 C ATOM 768 CD2 LEU A 96 -0.821 14.823 -16.577 1.00 0.00 C ATOM 0 H LEU A 96 -1.241 15.322 -11.922 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.444 13.869 -14.378 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.446 16.314 -14.139 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.232 16.254 -13.639 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.343 16.835 -16.093 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.726 15.775 -16.891 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.926 16.505 -15.281 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.750 14.741 -15.443 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.490 14.909 -17.612 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.610 13.818 -16.211 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.893 15.011 -16.522 1.00 0.00 H new ATOM 769 N GLN A 97 1.336 13.660 -12.670 1.00 0.00 N ATOM 770 CA GLN A 97 2.573 12.910 -12.543 1.00 0.00 C ATOM 771 C GLN A 97 2.287 11.493 -12.043 1.00 0.00 C ATOM 772 O GLN A 97 3.087 10.583 -12.255 1.00 0.00 O ATOM 773 CB GLN A 97 3.558 13.629 -11.618 1.00 0.00 C ATOM 774 CG GLN A 97 3.522 15.142 -11.847 1.00 0.00 C ATOM 775 CD GLN A 97 4.646 15.840 -11.079 1.00 0.00 C ATOM 776 OE1 GLN A 97 5.710 15.290 -10.849 1.00 0.00 O ATOM 777 NE2 GLN A 97 4.349 17.079 -10.695 1.00 0.00 N ATOM 0 H GLN A 97 1.153 14.312 -11.907 1.00 0.00 H new ATOM 0 HA GLN A 97 3.034 12.840 -13.528 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.313 13.409 -10.579 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.567 13.255 -11.794 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.618 15.355 -12.912 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.558 15.539 -11.528 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.438 17.479 -10.921 1.00 0.00 H new ATOM 0 HE22 GLN A 97 5.032 17.629 -10.174 1.00 0.00 H new ATOM 778 N ILE A 98 1.143 11.350 -11.390 1.00 0.00 N ATOM 779 CA ILE A 98 0.741 10.059 -10.859 1.00 0.00 C ATOM 780 C ILE A 98 0.624 9.054 -12.006 1.00 0.00 C ATOM 781 O ILE A 98 1.291 8.020 -12.001 1.00 0.00 O ATOM 782 CB ILE A 98 -0.537 10.196 -10.028 1.00 0.00 C ATOM 783 CG1 ILE A 98 -0.295 11.058 -8.787 1.00 0.00 C ATOM 784 CG2 ILE A 98 -1.107 8.822 -9.669 1.00 0.00 C ATOM 785 CD1 ILE A 98 -1.498 11.010 -7.844 1.00 0.00 C ATOM 0 H ILE A 98 0.482 12.107 -11.217 1.00 0.00 H new ATOM 0 HA ILE A 98 1.499 9.676 -10.176 1.00 0.00 H new ATOM 0 HB ILE A 98 -1.285 10.707 -10.634 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.595 10.708 -8.265 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.104 12.088 -9.087 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.015 8.948 -9.079 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -1.341 8.275 -10.582 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.372 8.263 -9.090 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.300 11.631 -6.970 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.381 11.383 -8.362 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.671 9.982 -7.527 1.00 0.00 H new ATOM 786 N GLN A 99 -0.227 9.393 -12.963 1.00 0.00 N ATOM 787 CA GLN A 99 -0.440 8.533 -14.115 1.00 0.00 C ATOM 788 C GLN A 99 0.891 8.235 -14.807 1.00 0.00 C ATOM 789 O GLN A 99 1.083 7.147 -15.350 1.00 0.00 O ATOM 790 CB GLN A 99 -1.437 9.161 -15.091 1.00 0.00 C ATOM 791 CG GLN A 99 -2.845 9.189 -14.493 1.00 0.00 C ATOM 792 CD GLN A 99 -3.595 10.455 -14.915 1.00 0.00 C ATOM 793 OE1 GLN A 99 -4.086 10.575 -16.025 1.00 0.00 O ATOM 794 NE2 GLN A 99 -3.652 11.390 -13.971 1.00 0.00 N ATOM 0 H GLN A 99 -0.777 10.252 -12.964 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.866 7.592 -13.768 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -1.122 10.175 -15.336 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -1.445 8.596 -16.023 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -3.399 8.308 -14.817 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.783 9.144 -13.406 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -3.219 11.224 -13.062 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -4.129 12.273 -14.156 1.00 0.00 H new ATOM 795 N ASN A 100 1.777 9.219 -14.766 1.00 0.00 N ATOM 796 CA ASN A 100 3.085 9.076 -15.384 1.00 0.00 C ATOM 797 C ASN A 100 4.020 8.342 -14.420 1.00 0.00 C ATOM 798 O ASN A 100 5.137 7.980 -14.790 1.00 0.00 O ATOM 799 CB ASN A 100 3.701 10.442 -15.692 1.00 0.00 C ATOM 800 CG ASN A 100 3.158 11.003 -17.009 1.00 0.00 C ATOM 801 OD1 ASN A 100 3.154 10.348 -18.038 1.00 0.00 O ATOM 802 ND2 ASN A 100 2.702 12.249 -16.917 1.00 0.00 N ATOM 0 H ASN A 100 1.615 10.119 -14.314 1.00 0.00 H new ATOM 0 HA ASN A 100 2.961 8.519 -16.313 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.483 11.135 -14.880 1.00 0.00 H new ATOM 0 HB3 ASN A 100 4.786 10.351 -15.751 1.00 0.00 H new ATOM 0 HD21 ASN A 100 2.319 12.714 -17.740 1.00 0.00 H new ATOM 0 HD22 ASN A 100 2.735 12.740 -16.023 1.00 0.00 H new ATOM 803 N SER A 101 3.531 8.145 -13.205 1.00 0.00 N ATOM 804 CA SER A 101 4.309 7.462 -12.186 1.00 0.00 C ATOM 805 C SER A 101 3.919 5.984 -12.134 1.00 0.00 C ATOM 806 O SER A 101 4.782 5.108 -12.186 1.00 0.00 O ATOM 807 CB SER A 101 4.113 8.111 -10.815 1.00 0.00 C ATOM 808 OG SER A 101 5.317 8.692 -10.322 1.00 0.00 O ATOM 0 H SER A 101 2.605 8.447 -12.903 1.00 0.00 H new ATOM 0 HA SER A 101 5.364 7.544 -12.449 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.342 8.878 -10.884 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.755 7.363 -10.108 1.00 0.00 H new ATOM 0 HG SER A 101 5.150 9.097 -9.445 1.00 0.00 H new ATOM 809 N LEU A 102 2.619 5.750 -12.033 1.00 0.00 N ATOM 810 CA LEU A 102 2.104 4.393 -11.973 1.00 0.00 C ATOM 811 C LEU A 102 2.644 3.595 -13.162 1.00 0.00 C ATOM 812 O LEU A 102 2.839 2.384 -13.064 1.00 0.00 O ATOM 813 CB LEU A 102 0.577 4.402 -11.881 1.00 0.00 C ATOM 814 CG LEU A 102 -0.010 4.579 -10.479 1.00 0.00 C ATOM 815 CD1 LEU A 102 -1.182 5.562 -10.494 1.00 0.00 C ATOM 816 CD2 LEU A 102 -0.402 3.228 -9.875 1.00 0.00 C ATOM 0 H LEU A 102 1.906 6.478 -11.991 1.00 0.00 H new ATOM 0 HA LEU A 102 2.451 3.894 -11.068 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.199 5.204 -12.515 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.202 3.466 -12.294 1.00 0.00 H new ATOM 0 HG LEU A 102 0.760 5.008 -9.838 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.580 5.669 -9.485 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.839 6.532 -10.853 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.964 5.186 -11.154 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.816 3.381 -8.879 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.148 2.749 -10.509 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.479 2.590 -9.807 1.00 0.00 H new ATOM 817 N GLU A 103 2.870 4.306 -14.257 1.00 0.00 N ATOM 818 CA GLU A 103 3.384 3.678 -15.462 1.00 0.00 C ATOM 819 C GLU A 103 4.878 3.383 -15.313 1.00 0.00 C ATOM 820 O GLU A 103 5.511 2.883 -16.240 1.00 0.00 O ATOM 821 CB GLU A 103 3.118 4.552 -16.691 1.00 0.00 C ATOM 822 CG GLU A 103 1.944 4.007 -17.507 1.00 0.00 C ATOM 823 CD GLU A 103 2.302 3.924 -18.993 1.00 0.00 C ATOM 824 OE1 GLU A 103 3.183 3.099 -19.319 1.00 0.00 O ATOM 825 OE2 GLU A 103 1.688 4.688 -19.768 1.00 0.00 O ATOM 0 H GLU A 103 2.707 5.310 -14.335 1.00 0.00 H new ATOM 0 HA GLU A 103 2.860 2.733 -15.607 1.00 0.00 H new ATOM 0 HB2 GLU A 103 2.904 5.573 -16.376 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.012 4.591 -17.314 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.669 3.018 -17.140 1.00 0.00 H new ATOM 0 HG3 GLU A 103 1.074 4.650 -17.374 1.00 0.00 H new ATOM 826 N HIS A 104 5.397 3.706 -14.137 1.00 0.00 N ATOM 827 CA HIS A 104 6.805 3.481 -13.854 1.00 0.00 C ATOM 828 C HIS A 104 6.943 2.600 -12.612 1.00 0.00 C ATOM 829 O HIS A 104 7.337 1.439 -12.710 1.00 0.00 O ATOM 830 CB HIS A 104 7.551 4.810 -13.725 1.00 0.00 C ATOM 831 CG HIS A 104 8.917 4.688 -13.092 1.00 0.00 C ATOM 832 ND1 HIS A 104 9.899 5.652 -13.238 1.00 0.00 N ATOM 833 CD2 HIS A 104 9.452 3.708 -12.309 1.00 0.00 C ATOM 834 CE1 HIS A 104 10.974 5.259 -12.569 1.00 0.00 C ATOM 835 NE2 HIS A 104 10.695 4.053 -11.995 1.00 0.00 N ATOM 0 H HIS A 104 4.868 4.121 -13.370 1.00 0.00 H new ATOM 0 HA HIS A 104 7.268 2.951 -14.686 1.00 0.00 H new ATOM 0 HB2 HIS A 104 7.659 5.252 -14.715 1.00 0.00 H new ATOM 0 HB3 HIS A 104 6.947 5.498 -13.133 1.00 0.00 H new ATOM 0 HD1 HIS A 104 9.811 6.518 -13.770 1.00 0.00 H new ATOM 0 HD2 HIS A 104 8.950 2.804 -11.997 1.00 0.00 H new ATOM 0 HE1 HIS A 104 11.906 5.798 -12.492 1.00 0.00 H new ATOM 836 N VAL A 105 6.613 3.185 -11.470 1.00 0.00 N ATOM 837 CA VAL A 105 6.696 2.468 -10.209 1.00 0.00 C ATOM 838 C VAL A 105 6.117 1.064 -10.388 1.00 0.00 C ATOM 839 O VAL A 105 6.800 0.071 -10.143 1.00 0.00 O ATOM 840 CB VAL A 105 5.999 3.266 -9.106 1.00 0.00 C ATOM 841 CG1 VAL A 105 4.494 3.356 -9.361 1.00 0.00 C ATOM 842 CG2 VAL A 105 6.287 2.666 -7.729 1.00 0.00 C ATOM 0 H VAL A 105 6.287 4.148 -11.392 1.00 0.00 H new ATOM 0 HA VAL A 105 7.736 2.355 -9.901 1.00 0.00 H new ATOM 0 HB VAL A 105 6.402 4.279 -9.121 1.00 0.00 H new ATOM 0 HG11 VAL A 105 4.023 3.929 -8.562 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.316 3.851 -10.316 1.00 0.00 H new ATOM 0 HG13 VAL A 105 4.069 2.353 -9.388 1.00 0.00 H new ATOM 0 HG21 VAL A 105 5.780 3.253 -6.963 1.00 0.00 H new ATOM 0 HG22 VAL A 105 5.926 1.638 -7.697 1.00 0.00 H new ATOM 0 HG23 VAL A 105 7.361 2.679 -7.544 1.00 0.00 H new ATOM 843 N LEU A 106 4.862 1.025 -10.812 1.00 0.00 N ATOM 844 CA LEU A 106 4.182 -0.242 -11.025 1.00 0.00 C ATOM 845 C LEU A 106 4.856 -0.988 -12.180 1.00 0.00 C ATOM 846 O LEU A 106 5.048 -2.200 -12.111 1.00 0.00 O ATOM 847 CB LEU A 106 2.682 -0.018 -11.229 1.00 0.00 C ATOM 848 CG LEU A 106 2.155 -0.259 -12.645 1.00 0.00 C ATOM 849 CD1 LEU A 106 1.856 -1.742 -12.873 1.00 0.00 C ATOM 850 CD2 LEU A 106 0.937 0.621 -12.934 1.00 0.00 C ATOM 0 H LEU A 106 4.298 1.851 -11.014 1.00 0.00 H new ATOM 0 HA LEU A 106 4.268 -0.875 -10.142 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.141 -0.672 -10.545 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.446 1.007 -10.944 1.00 0.00 H new ATOM 0 HG LEU A 106 2.934 0.026 -13.352 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.483 -1.886 -13.887 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.768 -2.322 -12.736 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.103 -2.075 -12.159 1.00 0.00 H new ATOM 0 HD21 LEU A 106 0.582 0.430 -13.947 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.144 0.390 -12.222 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.216 1.670 -12.839 1.00 0.00 H new ATOM 851 N LYS A 107 5.193 -0.231 -13.214 1.00 0.00 N ATOM 852 CA LYS A 107 5.841 -0.806 -14.381 1.00 0.00 C ATOM 853 C LYS A 107 7.047 -1.632 -13.935 1.00 0.00 C ATOM 854 O LYS A 107 7.279 -2.726 -14.448 1.00 0.00 O ATOM 855 CB LYS A 107 6.184 0.287 -15.395 1.00 0.00 C ATOM 856 CG LYS A 107 6.919 -0.297 -16.603 1.00 0.00 C ATOM 857 CD LYS A 107 8.435 -0.208 -16.419 1.00 0.00 C ATOM 858 CE LYS A 107 9.102 0.405 -17.653 1.00 0.00 C ATOM 859 NZ LYS A 107 9.725 1.704 -17.314 1.00 0.00 N ATOM 0 H LYS A 107 5.030 0.774 -13.268 1.00 0.00 H new ATOM 0 HA LYS A 107 5.163 -1.486 -14.897 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.270 0.782 -15.725 1.00 0.00 H new ATOM 0 HB3 LYS A 107 6.804 1.047 -14.920 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.627 -1.338 -16.743 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.627 0.240 -17.505 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.664 0.395 -15.540 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.842 -1.203 -16.238 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.858 -0.277 -18.042 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.363 0.544 -18.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.173 2.106 -18.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 8.996 2.358 -16.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.445 1.562 -16.577 1.00 0.00 H new ATOM 860 N ILE A 108 7.785 -1.079 -12.983 1.00 0.00 N ATOM 861 CA ILE A 108 8.963 -1.751 -12.463 1.00 0.00 C ATOM 862 C ILE A 108 8.527 -2.950 -11.616 1.00 0.00 C ATOM 863 O ILE A 108 9.167 -3.999 -11.646 1.00 0.00 O ATOM 864 CB ILE A 108 9.857 -0.761 -11.712 1.00 0.00 C ATOM 865 CG1 ILE A 108 10.306 0.377 -12.630 1.00 0.00 C ATOM 866 CG2 ILE A 108 11.044 -1.478 -11.064 1.00 0.00 C ATOM 867 CD1 ILE A 108 11.408 1.209 -11.973 1.00 0.00 C ATOM 0 H ILE A 108 7.589 -0.172 -12.558 1.00 0.00 H new ATOM 0 HA ILE A 108 9.572 -2.140 -13.279 1.00 0.00 H new ATOM 0 HB ILE A 108 9.273 -0.314 -10.908 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.668 -0.033 -13.573 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.455 1.016 -12.866 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.664 -0.753 -10.537 1.00 0.00 H new ATOM 0 HG22 ILE A 108 10.678 -2.223 -10.358 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.637 -1.969 -11.835 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.709 2.011 -12.647 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.035 1.637 -11.043 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.267 0.572 -11.760 1.00 0.00 H new ATOM 868 N ALA A 109 7.441 -2.753 -10.883 1.00 0.00 N ATOM 869 CA ALA A 109 6.914 -3.805 -10.030 1.00 0.00 C ATOM 870 C ALA A 109 6.960 -5.136 -10.782 1.00 0.00 C ATOM 871 O ALA A 109 7.301 -6.168 -10.206 1.00 0.00 O ATOM 872 CB ALA A 109 5.498 -3.437 -9.583 1.00 0.00 C ATOM 0 H ALA A 109 6.912 -1.881 -10.862 1.00 0.00 H new ATOM 0 HA ALA A 109 7.522 -3.913 -9.132 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.102 -4.226 -8.943 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.524 -2.499 -9.029 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.858 -3.324 -10.458 1.00 0.00 H new ATOM 873 N LYS A 110 6.613 -5.070 -12.060 1.00 0.00 N ATOM 874 CA LYS A 110 6.611 -6.257 -12.897 1.00 0.00 C ATOM 875 C LYS A 110 5.210 -6.873 -12.898 1.00 0.00 C ATOM 876 O LYS A 110 5.049 -8.060 -13.175 1.00 0.00 O ATOM 877 CB LYS A 110 7.707 -7.228 -12.454 1.00 0.00 C ATOM 878 CG LYS A 110 8.129 -8.141 -13.607 1.00 0.00 C ATOM 879 CD LYS A 110 8.971 -9.314 -13.097 1.00 0.00 C ATOM 880 CE LYS A 110 9.206 -10.342 -14.205 1.00 0.00 C ATOM 881 NZ LYS A 110 7.981 -11.141 -14.438 1.00 0.00 N ATOM 0 H LYS A 110 6.331 -4.213 -12.535 1.00 0.00 H new ATOM 0 HA LYS A 110 6.847 -5.995 -13.928 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.570 -6.668 -12.094 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.348 -7.831 -11.620 1.00 0.00 H new ATOM 0 HG2 LYS A 110 7.244 -8.519 -14.119 1.00 0.00 H new ATOM 0 HG3 LYS A 110 8.700 -7.569 -14.338 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.928 -8.946 -12.728 1.00 0.00 H new ATOM 0 HD3 LYS A 110 8.467 -9.790 -12.256 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.497 -9.834 -15.125 1.00 0.00 H new ATOM 0 HE3 LYS A 110 10.030 -11.000 -13.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.205 -11.949 -15.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.615 -11.488 -13.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.261 -10.547 -14.897 1.00 0.00 H new ATOM 882 N VAL A 111 4.230 -6.037 -12.585 1.00 0.00 N ATOM 883 CA VAL A 111 2.848 -6.483 -12.547 1.00 0.00 C ATOM 884 C VAL A 111 2.231 -6.336 -13.939 1.00 0.00 C ATOM 885 O VAL A 111 1.018 -6.176 -14.070 1.00 0.00 O ATOM 886 CB VAL A 111 2.081 -5.716 -11.468 1.00 0.00 C ATOM 887 CG1 VAL A 111 2.800 -5.798 -10.121 1.00 0.00 C ATOM 888 CG2 VAL A 111 1.857 -4.261 -11.884 1.00 0.00 C ATOM 0 H VAL A 111 4.367 -5.053 -12.355 1.00 0.00 H new ATOM 0 HA VAL A 111 2.794 -7.538 -12.278 1.00 0.00 H new ATOM 0 HB VAL A 111 1.104 -6.185 -11.354 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.234 -5.245 -9.372 1.00 0.00 H new ATOM 0 HG12 VAL A 111 2.883 -6.841 -9.816 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.797 -5.367 -10.214 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.310 -3.738 -11.099 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.820 -3.775 -12.040 1.00 0.00 H new ATOM 0 HG23 VAL A 111 1.281 -4.232 -12.809 1.00 0.00 H new ATOM 889 N PHE A 112 3.092 -6.396 -14.944 1.00 0.00 N ATOM 890 CA PHE A 112 2.646 -6.272 -16.320 1.00 0.00 C ATOM 891 C PHE A 112 2.875 -7.574 -17.091 1.00 0.00 C ATOM 892 O PHE A 112 4.004 -8.056 -17.180 1.00 0.00 O ATOM 893 CB PHE A 112 3.480 -5.161 -16.962 1.00 0.00 C ATOM 894 CG PHE A 112 2.858 -3.768 -16.841 1.00 0.00 C ATOM 895 CD1 PHE A 112 1.840 -3.404 -17.666 1.00 0.00 C ATOM 896 CD2 PHE A 112 3.323 -2.894 -15.908 1.00 0.00 C ATOM 897 CE1 PHE A 112 1.263 -2.111 -17.555 1.00 0.00 C ATOM 898 CE2 PHE A 112 2.745 -1.602 -15.797 1.00 0.00 C ATOM 899 CZ PHE A 112 1.728 -1.238 -16.622 1.00 0.00 C ATOM 0 H PHE A 112 4.097 -6.529 -14.832 1.00 0.00 H new ATOM 0 HA PHE A 112 1.580 -6.048 -16.346 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.467 -5.148 -16.500 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.625 -5.393 -18.017 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.470 -4.098 -18.406 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.131 -3.183 -15.252 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.456 -1.821 -18.211 1.00 0.00 H new ATOM 0 HE2 PHE A 112 3.114 -0.908 -15.056 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.289 -0.255 -16.536 1.00 0.00 H new ATOM 900 N ASN A 113 1.786 -8.107 -17.626 1.00 0.00 N ATOM 901 CA ASN A 113 1.855 -9.344 -18.386 1.00 0.00 C ATOM 902 C ASN A 113 3.105 -9.328 -19.267 1.00 0.00 C ATOM 903 O ASN A 113 3.774 -10.349 -19.420 1.00 0.00 O ATOM 904 CB ASN A 113 0.636 -9.497 -19.298 1.00 0.00 C ATOM 905 CG ASN A 113 -0.465 -10.307 -18.609 1.00 0.00 C ATOM 906 OD1 ASN A 113 -0.229 -11.346 -18.016 1.00 0.00 O ATOM 907 ND2 ASN A 113 -1.678 -9.774 -18.721 1.00 0.00 N ATOM 0 H ASN A 113 0.852 -7.705 -17.548 1.00 0.00 H new ATOM 0 HA ASN A 113 1.884 -10.173 -17.679 1.00 0.00 H new ATOM 0 HB2 ASN A 113 0.254 -8.513 -19.568 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.930 -9.990 -20.225 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -2.480 -10.239 -18.296 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -1.806 -8.901 -19.232 1.00 0.00 H new