USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=22 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 27 ASN : amide:sc= -14.8! C(o=-35!,f=-44!) USER MOD Set 1.2: A 104 HIS : no HE2:sc= -20.3! C(o=-35!,f=-38!) USER MOD Set 2.1: A 69 ASN :FLIP amide:sc= -0.961 F(o=-2.3,f=-1.4) USER MOD Set 2.2: A 73 HIS :FLIP no HD1:sc= -0.461 F(o=-2.7,f=-1.4) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -161:sc=-0.00544 (180deg=-0.12) USER MOD Single : A 12 ASN : amide:sc= -0.459 K(o=-0.46,f=-3.1!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) 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 23 HIS :FLIP no HD1:sc= -4.38 F(o=-5.6!,f=-4.4) USER MOD Single : A 24 SER OG : rot 170:sc= 0.0138 USER MOD Single : A 29 GLN :FLIP amide:sc= -2.56 F(o=-4.8!,f=-2.6) USER MOD Single : A 34 THR OG1 : rot 120:sc= -0.531 USER MOD Single : A 35 CYS SG : rot 150:sc= -0.666 USER MOD Single : A 42 HIS : no HD1:sc= -0.337 X(o=-0.34,f=-0.15) USER MOD Single : A 48 SER OG : rot 129:sc= 0.351 USER MOD Single : A 50 SER OG : rot 160:sc= -0.352 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= -0.308 X(o=-0.31,f=0.12) USER MOD Single : A 60 ASN : amide:sc= 0.0545 X(o=0.054,f=-0.38) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -168:sc= -5.52! (180deg=-6.46!) 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 180:sc= 0 USER MOD Single : A 76 HIS :FLIP no HD1:sc= -2.87! C(o=-4.8!,f=-2.9!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN :FLIP amide:sc= -5.8! C(o=-7.1!,f=-5.8!) USER MOD Single : A 91 LYS NZ :NH3+ 156:sc= -0.0452 (180deg=-0.293) USER MOD Single : A 93 MET CE :methyl 178:sc= -10.2! (180deg=-10.3!) USER MOD Single : A 94 THR OG1 : rot 180:sc= -1.4 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.277 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 99 GLN : amide:sc= 1.2 K(o=1.2,f=-0.31) USER MOD Single : A 100 ASN : amide:sc= -2.33! X(o=-2.3!,f=-2) USER MOD Single : A 101 SER OG : rot -73:sc= 0.124 USER MOD Single : A 107 LYS NZ :NH3+ -136:sc= 0.834 (180deg=0.0517) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN :FLIP amide:sc= -0.123 F(o=-1.3,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 48 N TYR A 7 -9.375 -7.653 -5.194 1.00 0.00 N ATOM 49 CA TYR A 7 -7.942 -7.589 -4.958 1.00 0.00 C ATOM 50 C TYR A 7 -7.613 -6.580 -3.856 1.00 0.00 C ATOM 51 O TYR A 7 -6.471 -6.138 -3.735 1.00 0.00 O ATOM 52 CB TYR A 7 -7.319 -7.113 -6.273 1.00 0.00 C ATOM 53 CG TYR A 7 -7.945 -7.738 -7.520 1.00 0.00 C ATOM 54 CD1 TYR A 7 -7.771 -9.082 -7.780 1.00 0.00 C ATOM 55 CD2 TYR A 7 -8.684 -6.958 -8.386 1.00 0.00 C ATOM 56 CE1 TYR A 7 -8.360 -9.671 -8.954 1.00 0.00 C ATOM 57 CE2 TYR A 7 -9.274 -7.548 -9.561 1.00 0.00 C ATOM 58 CZ TYR A 7 -9.082 -8.874 -9.787 1.00 0.00 C ATOM 0 HA TYR A 7 -7.561 -8.560 -4.642 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.413 -6.029 -6.336 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -6.253 -7.340 -6.261 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.193 -9.692 -7.102 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -8.820 -5.906 -8.183 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.232 -10.722 -9.169 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -9.856 -6.950 -10.247 1.00 0.00 H new ATOM 59 N ARG A 8 -8.634 -6.245 -3.081 1.00 0.00 N ATOM 60 CA ARG A 8 -8.467 -5.295 -1.993 1.00 0.00 C ATOM 61 C ARG A 8 -7.796 -5.973 -0.796 1.00 0.00 C ATOM 62 O ARG A 8 -8.336 -6.925 -0.234 1.00 0.00 O ATOM 63 CB ARG A 8 -9.814 -4.718 -1.555 1.00 0.00 C ATOM 64 CG ARG A 8 -10.051 -3.343 -2.182 1.00 0.00 C ATOM 65 CD ARG A 8 -9.668 -2.224 -1.212 1.00 0.00 C ATOM 66 NE ARG A 8 -10.210 -0.932 -1.689 1.00 0.00 N ATOM 67 CZ ARG A 8 -10.428 0.128 -0.900 1.00 0.00 C ATOM 0 H ARG A 8 -9.579 -6.614 -3.184 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.837 -4.482 -2.355 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.616 -5.397 -1.845 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.843 -4.636 -0.468 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.466 -3.251 -3.097 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -11.100 -3.243 -2.462 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.056 -2.445 -0.218 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.583 -2.163 -1.125 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.431 -0.843 -2.681 1.00 0.00 H new ATOM 68 N ILE A 9 -6.630 -5.456 -0.441 1.00 0.00 N ATOM 69 CA ILE A 9 -5.880 -5.998 0.679 1.00 0.00 C ATOM 70 C ILE A 9 -6.295 -5.277 1.963 1.00 0.00 C ATOM 71 O ILE A 9 -5.812 -4.183 2.248 1.00 0.00 O ATOM 72 CB ILE A 9 -4.377 -5.938 0.398 1.00 0.00 C ATOM 73 CG1 ILE A 9 -3.927 -7.133 -0.445 1.00 0.00 C ATOM 74 CG2 ILE A 9 -3.580 -5.821 1.699 1.00 0.00 C ATOM 75 CD1 ILE A 9 -2.477 -6.967 -0.903 1.00 0.00 C ATOM 0 H ILE A 9 -6.185 -4.667 -0.910 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.113 -7.054 0.817 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.175 -5.040 -0.185 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.026 -8.050 0.136 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.577 -7.235 -1.314 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.515 -5.780 1.471 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.873 -4.913 2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.783 -6.687 2.329 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.183 -7.830 -1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.387 -6.062 -1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.827 -6.890 -0.032 1.00 0.00 H new ATOM 76 N LYS A 10 -7.187 -5.920 2.703 1.00 0.00 N ATOM 77 CA LYS A 10 -7.673 -5.353 3.950 1.00 0.00 C ATOM 78 C LYS A 10 -6.952 -6.020 5.123 1.00 0.00 C ATOM 79 O LYS A 10 -7.266 -5.754 6.282 1.00 0.00 O ATOM 80 CB LYS A 10 -9.197 -5.455 4.026 1.00 0.00 C ATOM 81 CG LYS A 10 -9.862 -4.236 3.382 1.00 0.00 C ATOM 82 CD LYS A 10 -11.356 -4.478 3.163 1.00 0.00 C ATOM 83 CE LYS A 10 -11.996 -3.310 2.412 1.00 0.00 C ATOM 84 NZ LYS A 10 -12.991 -2.625 3.267 1.00 0.00 N ATOM 0 H LYS A 10 -7.586 -6.828 2.463 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.445 -4.288 4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.530 -6.363 3.523 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.508 -5.535 5.068 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.721 -3.362 4.018 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.382 -4.017 2.428 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.500 -5.400 2.599 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.851 -4.612 4.125 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.226 -2.603 2.103 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.477 -3.674 1.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.415 -1.835 2.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.735 -3.298 3.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.523 -2.260 4.121 1.00 0.00 H new ATOM 85 N LYS A 11 -5.998 -6.875 4.782 1.00 0.00 N ATOM 86 CA LYS A 11 -5.230 -7.581 5.793 1.00 0.00 C ATOM 87 C LYS A 11 -3.785 -7.081 5.771 1.00 0.00 C ATOM 88 O LYS A 11 -3.347 -6.478 4.792 1.00 0.00 O ATOM 89 CB LYS A 11 -5.361 -9.094 5.603 1.00 0.00 C ATOM 90 CG LYS A 11 -6.564 -9.641 6.374 1.00 0.00 C ATOM 91 CD LYS A 11 -6.318 -11.084 6.822 1.00 0.00 C ATOM 92 CE LYS A 11 -7.195 -12.059 6.033 1.00 0.00 C ATOM 93 NZ LYS A 11 -8.615 -11.909 6.422 1.00 0.00 N ATOM 0 H LYS A 11 -5.740 -7.094 3.820 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.624 -7.372 6.787 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.469 -9.323 4.543 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.451 -9.587 5.944 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.758 -9.014 7.244 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.453 -9.598 5.745 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.267 -11.338 6.681 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.529 -11.179 7.887 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.083 -11.875 4.964 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.868 -13.082 6.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.144 -12.759 6.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.681 -11.786 7.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.019 -11.077 5.947 1.00 0.00 H new ATOM 94 N ASN A 12 -3.084 -7.349 6.863 1.00 0.00 N ATOM 95 CA ASN A 12 -1.696 -6.933 6.981 1.00 0.00 C ATOM 96 C ASN A 12 -0.789 -8.031 6.421 1.00 0.00 C ATOM 97 O ASN A 12 0.364 -7.775 6.078 1.00 0.00 O ATOM 98 CB ASN A 12 -1.314 -6.705 8.445 1.00 0.00 C ATOM 99 CG ASN A 12 -0.968 -5.236 8.698 1.00 0.00 C ATOM 100 OD1 ASN A 12 -0.914 -4.419 7.794 1.00 0.00 O ATOM 101 ND2 ASN A 12 -0.740 -4.946 9.976 1.00 0.00 N ATOM 0 H ASN A 12 -3.450 -7.849 7.673 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.574 -6.003 6.426 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -2.139 -7.005 9.091 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.462 -7.333 8.704 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.504 -3.992 10.248 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.802 -5.678 10.684 1.00 0.00 H new ATOM 102 N ALA A 13 -1.345 -9.232 6.346 1.00 0.00 N ATOM 103 CA ALA A 13 -0.601 -10.370 5.834 1.00 0.00 C ATOM 104 C ALA A 13 -0.208 -10.104 4.380 1.00 0.00 C ATOM 105 O ALA A 13 0.955 -10.258 4.009 1.00 0.00 O ATOM 106 CB ALA A 13 -1.441 -11.640 5.988 1.00 0.00 C ATOM 0 H ALA A 13 -2.302 -9.441 6.631 1.00 0.00 H new ATOM 0 HA ALA A 13 0.318 -10.516 6.402 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.883 -12.494 5.604 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.669 -11.800 7.042 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.370 -11.532 5.428 1.00 0.00 H new ATOM 107 N ASP A 14 -1.200 -9.708 3.595 1.00 0.00 N ATOM 108 CA ASP A 14 -0.973 -9.419 2.189 1.00 0.00 C ATOM 109 C ASP A 14 0.019 -8.261 2.066 1.00 0.00 C ATOM 110 O ASP A 14 0.814 -8.216 1.127 1.00 0.00 O ATOM 111 CB ASP A 14 -2.271 -9.006 1.495 1.00 0.00 C ATOM 112 CG ASP A 14 -3.487 -9.872 1.828 1.00 0.00 C ATOM 113 OD1 ASP A 14 -3.275 -11.081 2.064 1.00 0.00 O ATOM 114 OD2 ASP A 14 -4.602 -9.306 1.839 1.00 0.00 O ATOM 0 H ASP A 14 -2.163 -9.581 3.906 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.584 -10.321 1.717 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.495 -7.973 1.762 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.112 -9.029 0.417 1.00 0.00 H new ATOM 115 N PHE A 15 -0.057 -7.352 3.027 1.00 0.00 N ATOM 116 CA PHE A 15 0.824 -6.197 3.037 1.00 0.00 C ATOM 117 C PHE A 15 2.201 -6.563 3.594 1.00 0.00 C ATOM 118 O PHE A 15 3.197 -5.918 3.272 1.00 0.00 O ATOM 119 CB PHE A 15 0.180 -5.151 3.948 1.00 0.00 C ATOM 120 CG PHE A 15 -0.482 -3.994 3.197 1.00 0.00 C ATOM 121 CD1 PHE A 15 0.284 -3.076 2.550 1.00 0.00 C ATOM 122 CD2 PHE A 15 -1.838 -3.884 3.175 1.00 0.00 C ATOM 123 CE1 PHE A 15 -0.331 -2.002 1.853 1.00 0.00 C ATOM 124 CE2 PHE A 15 -2.453 -2.811 2.479 1.00 0.00 C ATOM 125 CZ PHE A 15 -1.686 -1.892 1.831 1.00 0.00 C ATOM 0 H PHE A 15 -0.716 -7.392 3.805 1.00 0.00 H new ATOM 0 HA PHE A 15 0.960 -5.824 2.022 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.567 -5.640 4.573 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.941 -4.748 4.616 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.360 -3.163 2.566 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.447 -4.614 3.688 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.278 -1.272 1.340 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.529 -2.724 2.463 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.153 -1.076 1.300 1.00 0.00 H new ATOM 126 N GLN A 16 2.213 -7.598 4.422 1.00 0.00 N ATOM 127 CA GLN A 16 3.452 -8.057 5.027 1.00 0.00 C ATOM 128 C GLN A 16 4.179 -9.018 4.085 1.00 0.00 C ATOM 129 O GLN A 16 5.406 -8.997 3.997 1.00 0.00 O ATOM 130 CB GLN A 16 3.187 -8.714 6.384 1.00 0.00 C ATOM 131 CG GLN A 16 4.128 -9.900 6.611 1.00 0.00 C ATOM 132 CD GLN A 16 4.326 -10.164 8.104 1.00 0.00 C ATOM 133 OE1 GLN A 16 5.142 -9.546 8.768 1.00 0.00 O ATOM 134 NE2 GLN A 16 3.537 -11.116 8.594 1.00 0.00 N ATOM 0 H GLN A 16 1.385 -8.131 4.688 1.00 0.00 H new ATOM 0 HA GLN A 16 4.094 -7.192 5.197 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.321 -7.981 7.180 1.00 0.00 H new ATOM 0 HB3 GLN A 16 2.152 -9.052 6.433 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.720 -10.790 6.132 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.092 -9.699 6.143 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.875 -11.595 7.983 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.594 -11.368 9.581 1.00 0.00 H new ATOM 135 N ARG A 17 3.391 -9.837 3.403 1.00 0.00 N ATOM 136 CA ARG A 17 3.945 -10.803 2.470 1.00 0.00 C ATOM 137 C ARG A 17 4.918 -10.117 1.510 1.00 0.00 C ATOM 138 O ARG A 17 5.822 -10.756 0.973 1.00 0.00 O ATOM 139 CB ARG A 17 2.839 -11.486 1.663 1.00 0.00 C ATOM 140 CG ARG A 17 2.260 -12.680 2.427 1.00 0.00 C ATOM 141 CD ARG A 17 1.499 -13.616 1.485 1.00 0.00 C ATOM 142 NE ARG A 17 0.558 -14.454 2.259 1.00 0.00 N ATOM 143 CZ ARG A 17 -0.046 -15.548 1.775 1.00 0.00 C ATOM 0 H ARG A 17 2.374 -9.851 3.478 1.00 0.00 H new ATOM 0 HA ARG A 17 4.475 -11.558 3.051 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.047 -10.770 1.446 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.237 -11.821 0.705 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.065 -13.227 2.918 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.591 -12.325 3.211 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.954 -13.034 0.742 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.201 -14.249 0.942 1.00 0.00 H new ATOM 0 HE ARG A 17 0.356 -14.182 3.221 1.00 0.00 H new ATOM 144 N ILE A 18 4.700 -8.823 1.321 1.00 0.00 N ATOM 145 CA ILE A 18 5.546 -8.043 0.434 1.00 0.00 C ATOM 146 C ILE A 18 6.740 -7.501 1.222 1.00 0.00 C ATOM 147 O ILE A 18 7.884 -7.624 0.787 1.00 0.00 O ATOM 148 CB ILE A 18 4.728 -6.956 -0.268 1.00 0.00 C ATOM 149 CG1 ILE A 18 3.280 -7.405 -0.470 1.00 0.00 C ATOM 150 CG2 ILE A 18 5.388 -6.539 -1.584 1.00 0.00 C ATOM 151 CD1 ILE A 18 2.533 -6.446 -1.398 1.00 0.00 C ATOM 0 H ILE A 18 3.950 -8.296 1.767 1.00 0.00 H new ATOM 0 HA ILE A 18 5.947 -8.672 -0.361 1.00 0.00 H new ATOM 0 HB ILE A 18 4.705 -6.076 0.374 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.263 -8.411 -0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.773 -7.453 0.494 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.787 -5.766 -2.063 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.386 -6.151 -1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.461 -7.403 -2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.506 -6.788 -1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.531 -5.446 -0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.029 -6.419 -2.368 1.00 0.00 H new ATOM 152 N TYR A 19 6.433 -6.910 2.369 1.00 0.00 N ATOM 153 CA TYR A 19 7.467 -6.348 3.221 1.00 0.00 C ATOM 154 C TYR A 19 8.389 -7.445 3.759 1.00 0.00 C ATOM 155 O TYR A 19 9.487 -7.158 4.237 1.00 0.00 O ATOM 156 CB TYR A 19 6.735 -5.694 4.394 1.00 0.00 C ATOM 157 CG TYR A 19 6.214 -4.287 4.095 1.00 0.00 C ATOM 158 CD1 TYR A 19 5.345 -4.083 3.042 1.00 0.00 C ATOM 159 CD2 TYR A 19 6.613 -3.222 4.876 1.00 0.00 C ATOM 160 CE1 TYR A 19 4.853 -2.759 2.761 1.00 0.00 C ATOM 161 CE2 TYR A 19 6.121 -1.898 4.595 1.00 0.00 C ATOM 162 CZ TYR A 19 5.266 -1.732 3.550 1.00 0.00 C ATOM 0 H TYR A 19 5.483 -6.809 2.727 1.00 0.00 H new ATOM 0 HA TYR A 19 8.082 -5.641 2.664 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.896 -6.327 4.684 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.409 -5.647 5.249 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.034 -4.916 2.429 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.295 -3.381 5.698 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.171 -2.586 1.942 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.424 -1.056 5.200 1.00 0.00 H new ATOM 163 N LYS A 20 7.910 -8.677 3.663 1.00 0.00 N ATOM 164 CA LYS A 20 8.679 -9.816 4.135 1.00 0.00 C ATOM 165 C LYS A 20 9.814 -10.103 3.149 1.00 0.00 C ATOM 166 O LYS A 20 10.981 -9.868 3.457 1.00 0.00 O ATOM 167 CB LYS A 20 7.761 -11.015 4.381 1.00 0.00 C ATOM 168 CG LYS A 20 8.380 -11.979 5.396 1.00 0.00 C ATOM 169 CD LYS A 20 7.685 -11.866 6.754 1.00 0.00 C ATOM 170 CE LYS A 20 8.611 -11.231 7.793 1.00 0.00 C ATOM 171 NZ LYS A 20 9.024 -12.234 8.800 1.00 0.00 N ATOM 0 H LYS A 20 7.000 -8.911 3.266 1.00 0.00 H new ATOM 0 HA LYS A 20 9.140 -9.593 5.097 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.794 -10.669 4.746 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.579 -11.537 3.442 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.301 -13.002 5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.442 -11.762 5.508 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.780 -11.267 6.654 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.377 -12.855 7.092 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.491 -10.818 7.300 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.102 -10.402 8.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.652 -11.787 9.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.182 -12.609 9.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.528 -13.012 8.329 1.00 0.00 H new ATOM 172 N LYS A 21 9.431 -10.606 1.985 1.00 0.00 N ATOM 173 CA LYS A 21 10.402 -10.928 0.953 1.00 0.00 C ATOM 174 C LYS A 21 11.159 -9.659 0.559 1.00 0.00 C ATOM 175 O LYS A 21 12.270 -9.731 0.036 1.00 0.00 O ATOM 176 CB LYS A 21 9.720 -11.628 -0.224 1.00 0.00 C ATOM 177 CG LYS A 21 9.420 -13.092 0.108 1.00 0.00 C ATOM 178 CD LYS A 21 8.207 -13.207 1.033 1.00 0.00 C ATOM 179 CE LYS A 21 7.496 -14.548 0.840 1.00 0.00 C ATOM 180 NZ LYS A 21 6.427 -14.717 1.851 1.00 0.00 N ATOM 0 H LYS A 21 8.461 -10.799 1.733 1.00 0.00 H new ATOM 0 HA LYS A 21 11.140 -11.636 1.331 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.793 -11.110 -0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.361 -11.575 -1.104 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.234 -13.646 -0.812 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.289 -13.546 0.584 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.525 -13.106 2.071 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.513 -12.391 0.832 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.069 -14.599 -0.162 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.215 -15.363 0.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.954 -15.632 1.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.843 -14.689 2.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.732 -13.949 1.754 1.00 0.00 H new ATOM 181 N GLY A 22 10.527 -8.524 0.823 1.00 0.00 N ATOM 182 CA GLY A 22 11.128 -7.242 0.502 1.00 0.00 C ATOM 183 C GLY A 22 11.327 -7.091 -1.008 1.00 0.00 C ATOM 184 O GLY A 22 11.999 -7.908 -1.633 1.00 0.00 O ATOM 0 H GLY A 22 9.605 -8.467 1.255 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.493 -6.436 0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.088 -7.149 1.010 1.00 0.00 H new ATOM 185 N HIS A 23 10.728 -6.040 -1.549 1.00 0.00 N ATOM 186 CA HIS A 23 10.830 -5.772 -2.973 1.00 0.00 C ATOM 187 C HIS A 23 10.029 -4.514 -3.318 1.00 0.00 C ATOM 188 O HIS A 23 9.105 -4.566 -4.129 1.00 0.00 O ATOM 189 CB HIS A 23 10.398 -6.992 -3.788 1.00 0.00 C ATOM 190 CG HIS A 23 10.262 -6.726 -5.269 1.00 0.00 C ATOM 191 ND1 HIS A 23 10.497 -5.596 -5.996 1.00 0.00 N flip ATOM 192 CD2 HIS A 23 9.839 -7.688 -6.168 1.00 0.00 C flip ATOM 193 CE1 HIS A 23 10.233 -5.856 -7.270 1.00 0.00 C flip ATOM 194 NE2 HIS A 23 9.823 -7.151 -7.378 1.00 0.00 N flip ATOM 0 H HIS A 23 10.170 -5.364 -1.027 1.00 0.00 H new ATOM 0 HA HIS A 23 11.870 -5.582 -3.237 1.00 0.00 H new ATOM 0 HB2 HIS A 23 11.124 -7.791 -3.638 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.443 -7.352 -3.405 1.00 0.00 H new ATOM 0 HD2 HIS A 23 9.568 -8.705 -5.924 1.00 0.00 H new ATOM 0 HE1 HIS A 23 10.328 -5.156 -8.087 1.00 0.00 H new ATOM 0 HE2 HIS A 23 9.551 -7.624 -8.240 1.00 0.00 H new ATOM 195 N SER A 24 10.412 -3.416 -2.684 1.00 0.00 N ATOM 196 CA SER A 24 9.741 -2.147 -2.914 1.00 0.00 C ATOM 197 C SER A 24 10.525 -1.318 -3.933 1.00 0.00 C ATOM 198 O SER A 24 11.717 -1.544 -4.138 1.00 0.00 O ATOM 199 CB SER A 24 9.577 -1.367 -1.608 1.00 0.00 C ATOM 200 OG SER A 24 10.712 -1.506 -0.757 1.00 0.00 O ATOM 0 H SER A 24 11.178 -3.378 -2.011 1.00 0.00 H new ATOM 0 HA SER A 24 8.747 -2.352 -3.311 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.420 -0.312 -1.833 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.687 -1.718 -1.086 1.00 0.00 H new ATOM 0 HG SER A 24 10.642 -0.872 -0.013 1.00 0.00 H new ATOM 201 N VAL A 25 9.824 -0.374 -4.544 1.00 0.00 N ATOM 202 CA VAL A 25 10.439 0.490 -5.537 1.00 0.00 C ATOM 203 C VAL A 25 9.738 1.850 -5.528 1.00 0.00 C ATOM 204 O VAL A 25 8.513 1.922 -5.621 1.00 0.00 O ATOM 205 CB VAL A 25 10.412 -0.186 -6.909 1.00 0.00 C ATOM 206 CG1 VAL A 25 11.088 -1.558 -6.857 1.00 0.00 C ATOM 207 CG2 VAL A 25 8.980 -0.301 -7.436 1.00 0.00 C ATOM 0 H VAL A 25 8.836 -0.189 -4.370 1.00 0.00 H new ATOM 0 HA VAL A 25 11.488 0.662 -5.295 1.00 0.00 H new ATOM 0 HB VAL A 25 10.975 0.440 -7.602 1.00 0.00 H new ATOM 0 HG11 VAL A 25 11.055 -2.017 -7.845 1.00 0.00 H new ATOM 0 HG12 VAL A 25 12.126 -1.441 -6.546 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.565 -2.195 -6.143 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.989 -0.785 -8.413 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.384 -0.894 -6.743 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.545 0.694 -7.529 1.00 0.00 H new ATOM 208 N ALA A 26 10.543 2.895 -5.413 1.00 0.00 N ATOM 209 CA ALA A 26 10.017 4.249 -5.389 1.00 0.00 C ATOM 210 C ALA A 26 10.476 4.992 -6.646 1.00 0.00 C ATOM 211 O ALA A 26 11.641 5.371 -6.756 1.00 0.00 O ATOM 212 CB ALA A 26 10.460 4.948 -4.103 1.00 0.00 C ATOM 0 H ALA A 26 11.558 2.831 -5.335 1.00 0.00 H new ATOM 0 HA ALA A 26 8.927 4.237 -5.393 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.065 5.964 -4.086 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.083 4.398 -3.241 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.549 4.982 -4.064 1.00 0.00 H new ATOM 213 N ASN A 27 9.536 5.179 -7.560 1.00 0.00 N ATOM 214 CA ASN A 27 9.830 5.870 -8.804 1.00 0.00 C ATOM 215 C ASN A 27 10.463 7.228 -8.491 1.00 0.00 C ATOM 216 O ASN A 27 11.670 7.318 -8.269 1.00 0.00 O ATOM 217 CB ASN A 27 8.555 6.119 -9.611 1.00 0.00 C ATOM 218 CG ASN A 27 8.800 7.138 -10.726 1.00 0.00 C ATOM 219 OD1 ASN A 27 9.866 7.718 -10.848 1.00 0.00 O ATOM 220 ND2 ASN A 27 7.757 7.322 -11.531 1.00 0.00 N ATOM 0 H ASN A 27 8.570 4.864 -7.464 1.00 0.00 H new ATOM 0 HA ASN A 27 10.508 5.244 -9.384 1.00 0.00 H new ATOM 0 HB2 ASN A 27 8.204 5.181 -10.042 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.767 6.481 -8.950 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.821 7.981 -12.306 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.893 6.804 -11.373 1.00 0.00 H new ATOM 221 N ARG A 28 9.621 8.250 -8.483 1.00 0.00 N ATOM 222 CA ARG A 28 10.082 9.599 -8.200 1.00 0.00 C ATOM 223 C ARG A 28 9.292 10.197 -7.034 1.00 0.00 C ATOM 224 O ARG A 28 9.857 10.882 -6.183 1.00 0.00 O ATOM 225 CB ARG A 28 9.931 10.501 -9.426 1.00 0.00 C ATOM 226 CG ARG A 28 10.260 11.955 -9.081 1.00 0.00 C ATOM 227 CD ARG A 28 11.367 12.496 -9.988 1.00 0.00 C ATOM 228 NE ARG A 28 12.688 12.285 -9.354 1.00 0.00 N ATOM 229 CZ ARG A 28 13.857 12.377 -10.004 1.00 0.00 C ATOM 0 H ARG A 28 8.621 8.171 -8.668 1.00 0.00 H new ATOM 0 HA ARG A 28 11.138 9.540 -7.935 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.591 10.154 -10.221 1.00 0.00 H new ATOM 0 HB3 ARG A 28 8.912 10.436 -9.807 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.366 12.569 -9.187 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.572 12.024 -8.039 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.334 11.994 -10.955 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.209 13.558 -10.175 1.00 0.00 H new ATOM 0 HE ARG A 28 12.710 12.055 -8.360 1.00 0.00 H new ATOM 230 N GLN A 29 7.997 9.917 -7.033 1.00 0.00 N ATOM 231 CA GLN A 29 7.124 10.418 -5.986 1.00 0.00 C ATOM 232 C GLN A 29 6.119 9.342 -5.571 1.00 0.00 C ATOM 233 O GLN A 29 5.178 9.619 -4.829 1.00 0.00 O ATOM 234 CB GLN A 29 6.408 11.694 -6.434 1.00 0.00 C ATOM 235 CG GLN A 29 7.358 12.617 -7.198 1.00 0.00 C ATOM 236 CD GLN A 29 6.580 13.649 -8.016 1.00 0.00 C ATOM 237 OE1 GLN A 29 5.772 13.118 -8.929 1.00 0.00 O flip ATOM 238 NE2 GLN A 29 6.705 14.849 -7.832 1.00 0.00 N flip ATOM 0 H GLN A 29 7.531 9.349 -7.741 1.00 0.00 H new ATOM 0 HA GLN A 29 7.736 10.668 -5.119 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.559 11.436 -7.067 1.00 0.00 H new ATOM 0 HB3 GLN A 29 6.010 12.216 -5.564 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.018 13.127 -6.496 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.991 12.026 -7.860 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.343 15.191 -7.114 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.171 15.510 -8.397 1.00 0.00 H new ATOM 239 N PHE A 30 6.353 8.137 -6.069 1.00 0.00 N ATOM 240 CA PHE A 30 5.479 7.017 -5.759 1.00 0.00 C ATOM 241 C PHE A 30 6.291 5.770 -5.405 1.00 0.00 C ATOM 242 O PHE A 30 7.360 5.540 -5.969 1.00 0.00 O ATOM 243 CB PHE A 30 4.654 6.733 -7.016 1.00 0.00 C ATOM 244 CG PHE A 30 3.152 6.592 -6.757 1.00 0.00 C ATOM 245 CD1 PHE A 30 2.440 7.654 -6.296 1.00 0.00 C ATOM 246 CD2 PHE A 30 2.531 5.404 -6.986 1.00 0.00 C ATOM 247 CE1 PHE A 30 1.047 7.523 -6.054 1.00 0.00 C ATOM 248 CE2 PHE A 30 1.139 5.273 -6.745 1.00 0.00 C ATOM 249 CZ PHE A 30 0.425 6.336 -6.284 1.00 0.00 C ATOM 0 H PHE A 30 7.134 7.911 -6.685 1.00 0.00 H new ATOM 0 HA PHE A 30 4.848 7.262 -4.904 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.814 7.538 -7.733 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.020 5.816 -7.479 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.934 8.597 -6.114 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.097 4.560 -7.351 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.481 8.367 -5.687 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.646 4.330 -6.927 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.635 6.237 -6.101 1.00 0.00 H new ATOM 250 N VAL A 31 5.753 4.998 -4.473 1.00 0.00 N ATOM 251 CA VAL A 31 6.414 3.779 -4.036 1.00 0.00 C ATOM 252 C VAL A 31 5.533 2.576 -4.377 1.00 0.00 C ATOM 253 O VAL A 31 4.344 2.565 -4.064 1.00 0.00 O ATOM 254 CB VAL A 31 6.751 3.872 -2.546 1.00 0.00 C ATOM 255 CG1 VAL A 31 6.585 5.304 -2.035 1.00 0.00 C ATOM 256 CG2 VAL A 31 5.900 2.896 -1.731 1.00 0.00 C ATOM 0 H VAL A 31 4.866 5.192 -4.008 1.00 0.00 H new ATOM 0 HA VAL A 31 7.360 3.647 -4.561 1.00 0.00 H new ATOM 0 HB VAL A 31 7.797 3.591 -2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.831 5.342 -0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.252 5.967 -2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.554 5.625 -2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.159 2.982 -0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.845 3.133 -1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.090 1.877 -2.070 1.00 0.00 H new ATOM 257 N VAL A 32 6.151 1.592 -5.013 1.00 0.00 N ATOM 258 CA VAL A 32 5.439 0.387 -5.400 1.00 0.00 C ATOM 259 C VAL A 32 6.089 -0.824 -4.726 1.00 0.00 C ATOM 260 O VAL A 32 7.274 -1.087 -4.924 1.00 0.00 O ATOM 261 CB VAL A 32 5.396 0.270 -6.924 1.00 0.00 C ATOM 262 CG1 VAL A 32 5.728 -1.154 -7.376 1.00 0.00 C ATOM 263 CG2 VAL A 32 4.038 0.715 -7.470 1.00 0.00 C ATOM 0 H VAL A 32 7.138 1.605 -5.270 1.00 0.00 H new ATOM 0 HA VAL A 32 4.404 0.431 -5.062 1.00 0.00 H new ATOM 0 HB VAL A 32 6.156 0.936 -7.332 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.690 -1.209 -8.464 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.728 -1.420 -7.034 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.003 -1.849 -6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.034 0.622 -8.556 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.253 0.087 -7.049 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.858 1.754 -7.194 1.00 0.00 H new ATOM 264 N TYR A 33 5.285 -1.527 -3.942 1.00 0.00 N ATOM 265 CA TYR A 33 5.767 -2.703 -3.238 1.00 0.00 C ATOM 266 C TYR A 33 5.177 -3.982 -3.838 1.00 0.00 C ATOM 267 O TYR A 33 4.070 -4.384 -3.483 1.00 0.00 O ATOM 268 CB TYR A 33 5.279 -2.559 -1.795 1.00 0.00 C ATOM 269 CG TYR A 33 6.210 -1.733 -0.905 1.00 0.00 C ATOM 270 CD1 TYR A 33 6.681 -0.512 -1.344 1.00 0.00 C ATOM 271 CD2 TYR A 33 6.576 -2.207 0.338 1.00 0.00 C ATOM 272 CE1 TYR A 33 7.557 0.265 -0.505 1.00 0.00 C ATOM 273 CE2 TYR A 33 7.451 -1.430 1.177 1.00 0.00 C ATOM 274 CZ TYR A 33 7.898 -0.231 0.713 1.00 0.00 C ATOM 0 H TYR A 33 4.303 -1.305 -3.779 1.00 0.00 H new ATOM 0 HA TYR A 33 6.852 -2.774 -3.308 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.292 -2.096 -1.800 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.163 -3.552 -1.360 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.393 -0.139 -2.316 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.206 -3.162 0.682 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.934 1.221 -0.837 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.746 -1.790 2.152 1.00 0.00 H new ATOM 275 N THR A 34 5.943 -4.586 -4.734 1.00 0.00 N ATOM 276 CA THR A 34 5.510 -5.809 -5.386 1.00 0.00 C ATOM 277 C THR A 34 6.409 -6.978 -4.977 1.00 0.00 C ATOM 278 O THR A 34 7.602 -6.793 -4.737 1.00 0.00 O ATOM 279 CB THR A 34 5.488 -5.560 -6.895 1.00 0.00 C ATOM 280 OG1 THR A 34 6.695 -4.846 -7.147 1.00 0.00 O ATOM 281 CG2 THR A 34 4.385 -4.583 -7.310 1.00 0.00 C ATOM 0 H THR A 34 6.862 -4.251 -5.024 1.00 0.00 H new ATOM 0 HA THR A 34 4.504 -6.088 -5.074 1.00 0.00 H new ATOM 0 HB THR A 34 5.351 -6.507 -7.417 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.252 -5.355 -7.773 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.413 -4.441 -8.390 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.414 -4.986 -7.022 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.542 -3.625 -6.814 1.00 0.00 H new ATOM 282 N CYS A 35 5.804 -8.154 -4.910 1.00 0.00 N ATOM 283 CA CYS A 35 6.534 -9.352 -4.534 1.00 0.00 C ATOM 284 C CYS A 35 5.568 -10.538 -4.574 1.00 0.00 C ATOM 285 O CYS A 35 4.372 -10.360 -4.798 1.00 0.00 O ATOM 286 CB CYS A 35 7.198 -9.203 -3.163 1.00 0.00 C ATOM 287 SG CYS A 35 8.717 -10.222 -3.089 1.00 0.00 S ATOM 0 H CYS A 35 4.815 -8.303 -5.110 1.00 0.00 H new ATOM 0 HA CYS A 35 7.345 -9.522 -5.242 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.443 -8.157 -2.980 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.506 -9.510 -2.379 1.00 0.00 H new ATOM 0 HG CYS A 35 9.575 -9.664 -2.287 1.00 0.00 H new ATOM 338 N HIS A 42 -3.887 -14.003 -7.444 1.00 0.00 N ATOM 339 CA HIS A 42 -4.249 -12.939 -8.364 1.00 0.00 C ATOM 340 C HIS A 42 -3.501 -11.658 -7.990 1.00 0.00 C ATOM 341 O HIS A 42 -2.827 -11.607 -6.963 1.00 0.00 O ATOM 342 CB HIS A 42 -5.767 -12.748 -8.403 1.00 0.00 C ATOM 343 CG HIS A 42 -6.449 -13.474 -9.539 1.00 0.00 C ATOM 344 ND1 HIS A 42 -7.779 -13.275 -9.865 1.00 0.00 N ATOM 345 CD2 HIS A 42 -5.970 -14.397 -10.421 1.00 0.00 C ATOM 346 CE1 HIS A 42 -8.078 -14.049 -10.898 1.00 0.00 C ATOM 347 NE2 HIS A 42 -6.955 -14.745 -11.240 1.00 0.00 N ATOM 0 HA HIS A 42 -3.948 -13.211 -9.376 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -6.190 -13.092 -7.459 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -5.987 -11.683 -8.482 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -4.961 -14.780 -10.449 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -9.040 -14.117 -11.384 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -6.884 -15.421 -12.000 1.00 0.00 H new ATOM 348 N PHE A 43 -3.646 -10.655 -8.844 1.00 0.00 N ATOM 349 CA PHE A 43 -2.992 -9.378 -8.615 1.00 0.00 C ATOM 350 C PHE A 43 -3.698 -8.590 -7.509 1.00 0.00 C ATOM 351 O PHE A 43 -4.799 -8.082 -7.710 1.00 0.00 O ATOM 352 CB PHE A 43 -3.082 -8.589 -9.923 1.00 0.00 C ATOM 353 CG PHE A 43 -4.514 -8.300 -10.378 1.00 0.00 C ATOM 354 CD1 PHE A 43 -5.175 -9.198 -11.155 1.00 0.00 C ATOM 355 CD2 PHE A 43 -5.125 -7.143 -10.005 1.00 0.00 C ATOM 356 CE1 PHE A 43 -6.504 -8.930 -11.577 1.00 0.00 C ATOM 357 CE2 PHE A 43 -6.454 -6.875 -10.428 1.00 0.00 C ATOM 358 CZ PHE A 43 -7.115 -7.774 -11.205 1.00 0.00 C ATOM 0 H PHE A 43 -4.206 -10.701 -9.695 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.959 -9.539 -8.306 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.552 -7.644 -9.803 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.568 -9.145 -10.707 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.689 -10.116 -11.452 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.600 -6.429 -9.388 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.029 -9.644 -12.193 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.940 -5.957 -10.132 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.126 -7.570 -11.527 1.00 0.00 H new ATOM 359 N ARG A 44 -3.033 -8.513 -6.365 1.00 0.00 N ATOM 360 CA ARG A 44 -3.583 -7.797 -5.228 1.00 0.00 C ATOM 361 C ARG A 44 -3.218 -6.313 -5.309 1.00 0.00 C ATOM 362 O ARG A 44 -2.127 -5.916 -4.903 1.00 0.00 O ATOM 363 CB ARG A 44 -3.060 -8.372 -3.909 1.00 0.00 C ATOM 364 CG ARG A 44 -3.165 -9.899 -3.898 1.00 0.00 C ATOM 365 CD ARG A 44 -3.383 -10.422 -2.477 1.00 0.00 C ATOM 366 NE ARG A 44 -2.497 -11.579 -2.221 1.00 0.00 N ATOM 367 CZ ARG A 44 -2.642 -12.423 -1.191 1.00 0.00 C ATOM 0 H ARG A 44 -2.119 -8.935 -6.202 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.667 -7.911 -5.257 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.022 -8.074 -3.764 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.629 -7.958 -3.076 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.990 -10.215 -4.537 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.256 -10.333 -4.314 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.180 -9.631 -1.755 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.425 -10.715 -2.344 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.727 -11.744 -2.870 1.00 0.00 H new ATOM 368 N LEU A 45 -4.153 -5.535 -5.834 1.00 0.00 N ATOM 369 CA LEU A 45 -3.944 -4.104 -5.974 1.00 0.00 C ATOM 370 C LEU A 45 -4.131 -3.430 -4.613 1.00 0.00 C ATOM 371 O LEU A 45 -5.229 -3.438 -4.058 1.00 0.00 O ATOM 372 CB LEU A 45 -4.847 -3.535 -7.071 1.00 0.00 C ATOM 373 CG LEU A 45 -4.251 -3.502 -8.479 1.00 0.00 C ATOM 374 CD1 LEU A 45 -5.144 -2.707 -9.433 1.00 0.00 C ATOM 375 CD2 LEU A 45 -2.818 -2.967 -8.456 1.00 0.00 C ATOM 0 H LEU A 45 -5.057 -5.869 -6.168 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.923 -3.898 -6.295 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.765 -4.123 -7.100 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.128 -2.519 -6.793 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.207 -4.524 -8.855 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.698 -2.699 -10.427 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.129 -3.171 -9.481 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.243 -1.684 -9.071 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.418 -2.954 -9.470 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.814 -1.955 -8.051 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.199 -3.610 -7.830 1.00 0.00 H new ATOM 376 N GLY A 46 -3.041 -2.865 -4.113 1.00 0.00 N ATOM 377 CA GLY A 46 -3.072 -2.189 -2.827 1.00 0.00 C ATOM 378 C GLY A 46 -3.148 -0.672 -3.007 1.00 0.00 C ATOM 379 O GLY A 46 -2.709 -0.141 -4.027 1.00 0.00 O ATOM 0 H GLY A 46 -2.132 -2.862 -4.575 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.931 -2.534 -2.251 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.181 -2.447 -2.255 1.00 0.00 H new ATOM 380 N ILE A 47 -3.708 -0.015 -2.001 1.00 0.00 N ATOM 381 CA ILE A 47 -3.847 1.430 -2.036 1.00 0.00 C ATOM 382 C ILE A 47 -3.444 2.010 -0.679 1.00 0.00 C ATOM 383 O ILE A 47 -4.146 1.821 0.314 1.00 0.00 O ATOM 384 CB ILE A 47 -5.258 1.822 -2.478 1.00 0.00 C ATOM 385 CG1 ILE A 47 -5.603 1.199 -3.832 1.00 0.00 C ATOM 386 CG2 ILE A 47 -5.428 3.342 -2.487 1.00 0.00 C ATOM 387 CD1 ILE A 47 -4.734 1.789 -4.945 1.00 0.00 C ATOM 0 H ILE A 47 -4.071 -0.458 -1.157 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.175 1.859 -2.779 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.965 1.423 -1.751 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.459 0.120 -3.787 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.655 1.371 -4.058 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.440 3.593 -2.805 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.255 3.733 -1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.710 3.784 -3.178 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.000 1.329 -5.897 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.899 2.865 -5.004 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.684 1.594 -4.729 1.00 0.00 H new ATOM 388 N SER A 48 -2.315 2.703 -0.680 1.00 0.00 N ATOM 389 CA SER A 48 -1.810 3.312 0.540 1.00 0.00 C ATOM 390 C SER A 48 -1.196 4.678 0.227 1.00 0.00 C ATOM 391 O SER A 48 -1.103 5.070 -0.935 1.00 0.00 O ATOM 392 CB SER A 48 -0.779 2.409 1.220 1.00 0.00 C ATOM 393 OG SER A 48 -1.386 1.281 1.844 1.00 0.00 O ATOM 0 H SER A 48 -1.736 2.857 -1.505 1.00 0.00 H new ATOM 0 HA SER A 48 -2.645 3.445 1.228 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.053 2.068 0.482 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.230 2.984 1.966 1.00 0.00 H new ATOM 0 HG SER A 48 -0.935 0.462 1.550 1.00 0.00 H new ATOM 394 N VAL A 49 -0.792 5.366 1.286 1.00 0.00 N ATOM 395 CA VAL A 49 -0.190 6.680 1.139 1.00 0.00 C ATOM 396 C VAL A 49 1.013 6.792 2.077 1.00 0.00 C ATOM 397 O VAL A 49 1.495 5.786 2.599 1.00 0.00 O ATOM 398 CB VAL A 49 -1.240 7.766 1.379 1.00 0.00 C ATOM 399 CG1 VAL A 49 -1.137 8.870 0.324 1.00 0.00 C ATOM 400 CG2 VAL A 49 -2.648 7.170 1.415 1.00 0.00 C ATOM 0 H VAL A 49 -0.870 5.038 2.249 1.00 0.00 H new ATOM 0 HA VAL A 49 0.177 6.821 0.122 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.042 8.214 2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.894 9.630 0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.147 9.325 0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.296 8.443 -0.666 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.375 7.964 1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.861 6.683 0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.713 6.438 2.220 1.00 0.00 H new ATOM 401 N SER A 50 1.464 8.023 2.266 1.00 0.00 N ATOM 402 CA SER A 50 2.601 8.279 3.132 1.00 0.00 C ATOM 403 C SER A 50 2.120 8.816 4.482 1.00 0.00 C ATOM 404 O SER A 50 0.953 9.174 4.631 1.00 0.00 O ATOM 405 CB SER A 50 3.575 9.267 2.486 1.00 0.00 C ATOM 406 OG SER A 50 4.661 9.590 3.351 1.00 0.00 O ATOM 0 H SER A 50 1.062 8.855 1.834 1.00 0.00 H new ATOM 0 HA SER A 50 3.129 7.339 3.288 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.963 8.841 1.561 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.042 10.179 2.218 1.00 0.00 H new ATOM 0 HG SER A 50 5.405 9.946 2.822 1.00 0.00 H new ATOM 407 N LYS A 51 3.043 8.854 5.431 1.00 0.00 N ATOM 408 CA LYS A 51 2.728 9.341 6.763 1.00 0.00 C ATOM 409 C LYS A 51 2.656 10.868 6.740 1.00 0.00 C ATOM 410 O LYS A 51 2.322 11.493 7.746 1.00 0.00 O ATOM 411 CB LYS A 51 3.722 8.786 7.786 1.00 0.00 C ATOM 412 CG LYS A 51 2.993 8.167 8.980 1.00 0.00 C ATOM 413 CD LYS A 51 3.685 8.535 10.294 1.00 0.00 C ATOM 414 CE LYS A 51 4.641 7.427 10.740 1.00 0.00 C ATOM 415 NZ LYS A 51 6.043 7.810 10.462 1.00 0.00 N ATOM 0 H LYS A 51 4.010 8.555 5.304 1.00 0.00 H new ATOM 0 HA LYS A 51 1.749 8.981 7.078 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.355 8.035 7.313 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.379 9.585 8.131 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.960 8.513 8.999 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.964 7.083 8.871 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.236 9.467 10.170 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.936 8.707 11.067 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.514 7.236 11.806 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.401 6.500 10.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.679 7.047 10.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.163 7.970 9.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.273 8.683 10.978 1.00 0.00 H new ATOM 416 N LYS A 52 2.976 11.426 5.582 1.00 0.00 N ATOM 417 CA LYS A 52 2.952 12.869 5.414 1.00 0.00 C ATOM 418 C LYS A 52 1.683 13.270 4.659 1.00 0.00 C ATOM 419 O LYS A 52 1.217 14.403 4.778 1.00 0.00 O ATOM 420 CB LYS A 52 4.242 13.353 4.749 1.00 0.00 C ATOM 421 CG LYS A 52 5.109 14.135 5.738 1.00 0.00 C ATOM 422 CD LYS A 52 5.961 13.188 6.586 1.00 0.00 C ATOM 423 CE LYS A 52 5.537 13.237 8.055 1.00 0.00 C ATOM 424 NZ LYS A 52 6.522 12.531 8.904 1.00 0.00 N ATOM 0 H LYS A 52 3.253 10.905 4.750 1.00 0.00 H new ATOM 0 HA LYS A 52 2.916 13.364 6.384 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.801 12.499 4.367 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.000 13.984 3.894 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.756 14.824 5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.474 14.738 6.387 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.864 12.170 6.209 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.012 13.461 6.498 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.446 14.274 8.379 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.554 12.780 8.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.218 12.574 9.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.589 11.537 8.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.453 12.985 8.807 1.00 0.00 H new ATOM 425 N LEU A 53 1.159 12.319 3.899 1.00 0.00 N ATOM 426 CA LEU A 53 -0.047 12.559 3.125 1.00 0.00 C ATOM 427 C LEU A 53 -1.270 12.371 4.023 1.00 0.00 C ATOM 428 O LEU A 53 -1.576 13.228 4.850 1.00 0.00 O ATOM 429 CB LEU A 53 -0.062 11.680 1.873 1.00 0.00 C ATOM 430 CG LEU A 53 0.676 12.237 0.653 1.00 0.00 C ATOM 431 CD1 LEU A 53 1.466 11.137 -0.059 1.00 0.00 C ATOM 432 CD2 LEU A 53 -0.289 12.954 -0.292 1.00 0.00 C ATOM 0 H LEU A 53 1.548 11.381 3.803 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.071 13.588 2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.374 10.714 2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.100 11.498 1.593 1.00 0.00 H new ATOM 0 HG LEU A 53 1.397 12.978 0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.981 11.559 -0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.198 10.712 0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.783 10.355 -0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.261 13.340 -1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.051 12.253 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.767 13.780 0.234 1.00 0.00 H new ATOM 433 N GLY A 54 -1.938 11.242 3.831 1.00 0.00 N ATOM 434 CA GLY A 54 -3.121 10.930 4.614 1.00 0.00 C ATOM 435 C GLY A 54 -4.127 12.082 4.569 1.00 0.00 C ATOM 436 O GLY A 54 -4.068 12.996 5.390 1.00 0.00 O ATOM 0 H GLY A 54 -1.682 10.533 3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.586 10.021 4.231 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.836 10.731 5.647 1.00 0.00 H new ATOM 437 N ASN A 55 -5.030 12.000 3.602 1.00 0.00 N ATOM 438 CA ASN A 55 -6.048 13.024 3.439 1.00 0.00 C ATOM 439 C ASN A 55 -7.009 12.607 2.324 1.00 0.00 C ATOM 440 O ASN A 55 -6.756 11.638 1.610 1.00 0.00 O ATOM 441 CB ASN A 55 -5.423 14.364 3.049 1.00 0.00 C ATOM 442 CG ASN A 55 -5.842 15.469 4.021 1.00 0.00 C ATOM 443 OD1 ASN A 55 -5.203 15.718 5.030 1.00 0.00 O ATOM 444 ND2 ASN A 55 -6.948 16.113 3.663 1.00 0.00 N ATOM 0 H ASN A 55 -5.077 11.240 2.924 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.572 13.134 4.388 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.337 14.274 3.042 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.728 14.630 2.037 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.311 16.867 4.247 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.434 15.853 2.805 1.00 0.00 H new ATOM 445 N ALA A 56 -8.092 13.362 2.208 1.00 0.00 N ATOM 446 CA ALA A 56 -9.093 13.083 1.192 1.00 0.00 C ATOM 447 C ALA A 56 -8.815 13.945 -0.041 1.00 0.00 C ATOM 448 O ALA A 56 -9.256 13.620 -1.142 1.00 0.00 O ATOM 449 CB ALA A 56 -10.489 13.326 1.770 1.00 0.00 C ATOM 0 H ALA A 56 -8.298 14.166 2.801 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.045 12.039 0.883 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.240 13.117 1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.648 12.670 2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.575 14.365 2.089 1.00 0.00 H new ATOM 450 N VAL A 57 -8.083 15.026 0.185 1.00 0.00 N ATOM 451 CA VAL A 57 -7.741 15.936 -0.894 1.00 0.00 C ATOM 452 C VAL A 57 -6.548 15.373 -1.671 1.00 0.00 C ATOM 453 O VAL A 57 -6.430 15.589 -2.876 1.00 0.00 O ATOM 454 CB VAL A 57 -7.483 17.337 -0.336 1.00 0.00 C ATOM 455 CG1 VAL A 57 -6.057 17.457 0.209 1.00 0.00 C ATOM 456 CG2 VAL A 57 -7.758 18.408 -1.393 1.00 0.00 C ATOM 0 H VAL A 57 -7.717 15.292 1.099 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.572 16.028 -1.594 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.173 17.499 0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.900 18.463 0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.911 16.730 1.008 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.344 17.264 -0.592 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.567 19.394 -0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.105 18.248 -2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.798 18.346 -1.712 1.00 0.00 H new ATOM 457 N LEU A 58 -5.693 14.664 -0.948 1.00 0.00 N ATOM 458 CA LEU A 58 -4.514 14.070 -1.554 1.00 0.00 C ATOM 459 C LEU A 58 -4.885 12.712 -2.155 1.00 0.00 C ATOM 460 O LEU A 58 -4.503 12.404 -3.283 1.00 0.00 O ATOM 461 CB LEU A 58 -3.369 14.003 -0.543 1.00 0.00 C ATOM 462 CG LEU A 58 -3.627 13.163 0.710 1.00 0.00 C ATOM 463 CD1 LEU A 58 -3.549 11.668 0.394 1.00 0.00 C ATOM 464 CD2 LEU A 58 -2.678 13.561 1.842 1.00 0.00 C ATOM 0 H LEU A 58 -5.794 14.488 0.052 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.150 14.692 -2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.488 13.605 -1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.126 15.019 -0.231 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.641 13.366 1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.736 11.094 1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.298 11.415 -0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.557 11.428 0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.883 12.949 2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.647 13.406 1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.827 14.612 2.089 1.00 0.00 H new ATOM 465 N ARG A 59 -5.622 11.937 -1.374 1.00 0.00 N ATOM 466 CA ARG A 59 -6.049 10.620 -1.815 1.00 0.00 C ATOM 467 C ARG A 59 -6.998 10.741 -3.010 1.00 0.00 C ATOM 468 O ARG A 59 -7.352 9.739 -3.630 1.00 0.00 O ATOM 469 CB ARG A 59 -6.753 9.862 -0.687 1.00 0.00 C ATOM 470 CG ARG A 59 -6.781 8.359 -0.970 1.00 0.00 C ATOM 471 CD ARG A 59 -6.962 7.561 0.322 1.00 0.00 C ATOM 472 NE ARG A 59 -8.401 7.325 0.575 1.00 0.00 N ATOM 473 CZ ARG A 59 -8.893 6.841 1.723 1.00 0.00 C ATOM 0 H ARG A 59 -5.935 12.196 -0.438 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.158 10.065 -2.109 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.240 10.048 0.257 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.772 10.234 -0.575 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.594 8.130 -1.660 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.854 8.060 -1.459 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.437 6.609 0.247 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.522 8.103 1.159 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.060 7.545 -0.172 1.00 0.00 H new ATOM 474 N ASN A 60 -7.383 11.976 -3.296 1.00 0.00 N ATOM 475 CA ASN A 60 -8.284 12.241 -4.404 1.00 0.00 C ATOM 476 C ASN A 60 -7.465 12.555 -5.657 1.00 0.00 C ATOM 477 O ASN A 60 -7.993 12.541 -6.768 1.00 0.00 O ATOM 478 CB ASN A 60 -9.180 13.446 -4.110 1.00 0.00 C ATOM 479 CG ASN A 60 -10.644 13.023 -3.982 1.00 0.00 C ATOM 480 OD1 ASN A 60 -11.169 12.261 -4.777 1.00 0.00 O ATOM 481 ND2 ASN A 60 -11.272 13.558 -2.939 1.00 0.00 N ATOM 0 H ASN A 60 -7.087 12.804 -2.779 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.905 11.358 -4.552 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.855 13.929 -3.188 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.079 14.182 -4.908 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.253 13.337 -2.766 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.773 14.189 -2.312 1.00 0.00 H new ATOM 482 N LYS A 61 -6.187 12.830 -5.437 1.00 0.00 N ATOM 483 CA LYS A 61 -5.291 13.146 -6.536 1.00 0.00 C ATOM 484 C LYS A 61 -4.221 12.058 -6.645 1.00 0.00 C ATOM 485 O LYS A 61 -3.481 12.006 -7.626 1.00 0.00 O ATOM 486 CB LYS A 61 -4.718 14.556 -6.370 1.00 0.00 C ATOM 487 CG LYS A 61 -4.829 15.349 -7.675 1.00 0.00 C ATOM 488 CD LYS A 61 -6.030 16.296 -7.641 1.00 0.00 C ATOM 489 CE LYS A 61 -5.584 17.751 -7.792 1.00 0.00 C ATOM 490 NZ LYS A 61 -6.447 18.644 -6.987 1.00 0.00 N ATOM 0 H LYS A 61 -5.752 12.840 -4.515 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.835 13.155 -7.481 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.252 15.078 -5.576 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.673 14.495 -6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.915 15.921 -7.836 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.927 14.662 -8.515 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.723 16.039 -8.442 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.569 16.172 -6.702 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.547 17.854 -7.474 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.626 18.043 -8.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.130 19.628 -7.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.432 18.558 -7.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.386 18.375 -5.984 1.00 0.00 H new ATOM 491 N ILE A 62 -4.173 11.216 -5.623 1.00 0.00 N ATOM 492 CA ILE A 62 -3.207 10.131 -5.592 1.00 0.00 C ATOM 493 C ILE A 62 -3.932 8.801 -5.801 1.00 0.00 C ATOM 494 O ILE A 62 -3.356 7.852 -6.331 1.00 0.00 O ATOM 495 CB ILE A 62 -2.381 10.186 -4.306 1.00 0.00 C ATOM 496 CG1 ILE A 62 -1.543 11.465 -4.245 1.00 0.00 C ATOM 497 CG2 ILE A 62 -1.521 8.930 -4.151 1.00 0.00 C ATOM 498 CD1 ILE A 62 -0.903 11.636 -2.866 1.00 0.00 C ATOM 0 H ILE A 62 -4.788 11.263 -4.810 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.492 10.235 -6.408 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.069 10.211 -3.461 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.766 11.432 -5.009 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.172 12.327 -4.467 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.944 8.996 -3.228 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.164 8.051 -4.115 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.841 8.848 -4.999 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.313 12.552 -2.850 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.683 11.693 -2.107 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.256 10.784 -2.657 1.00 0.00 H new ATOM 499 N LYS A 63 -5.186 8.774 -5.375 1.00 0.00 N ATOM 500 CA LYS A 63 -5.996 7.575 -5.508 1.00 0.00 C ATOM 501 C LYS A 63 -6.880 7.698 -6.752 1.00 0.00 C ATOM 502 O LYS A 63 -7.429 6.706 -7.229 1.00 0.00 O ATOM 503 CB LYS A 63 -6.780 7.311 -4.221 1.00 0.00 C ATOM 504 CG LYS A 63 -6.881 5.811 -3.938 1.00 0.00 C ATOM 505 CD LYS A 63 -8.342 5.372 -3.825 1.00 0.00 C ATOM 506 CE LYS A 63 -8.953 5.833 -2.500 1.00 0.00 C ATOM 507 NZ LYS A 63 -8.092 5.433 -1.366 1.00 0.00 N ATOM 0 H LYS A 63 -5.661 9.563 -4.937 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.361 6.701 -5.651 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.291 7.810 -3.384 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.780 7.737 -4.306 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.390 5.253 -4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.354 5.575 -3.013 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.914 5.784 -4.656 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.406 4.287 -3.901 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.076 6.916 -2.507 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.946 5.400 -2.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.608 5.568 -0.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.829 4.432 -1.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.232 6.018 -1.360 1.00 0.00 H new ATOM 508 N ARG A 64 -6.991 8.924 -7.240 1.00 0.00 N ATOM 509 CA ARG A 64 -7.799 9.190 -8.419 1.00 0.00 C ATOM 510 C ARG A 64 -7.129 8.607 -9.664 1.00 0.00 C ATOM 511 O ARG A 64 -7.753 7.864 -10.420 1.00 0.00 O ATOM 512 CB ARG A 64 -8.007 10.693 -8.616 1.00 0.00 C ATOM 513 CG ARG A 64 -8.301 11.018 -10.083 1.00 0.00 C ATOM 514 CD ARG A 64 -9.289 12.180 -10.199 1.00 0.00 C ATOM 515 NE ARG A 64 -9.273 12.722 -11.577 1.00 0.00 N ATOM 516 CZ ARG A 64 -10.211 13.539 -12.073 1.00 0.00 C ATOM 0 H ARG A 64 -6.535 9.745 -6.841 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.770 8.717 -8.270 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.833 11.035 -7.992 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.117 11.233 -8.291 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.373 11.272 -10.596 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.709 10.138 -10.580 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.293 11.841 -9.944 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.027 12.964 -9.488 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.499 12.456 -12.186 1.00 0.00 H new ATOM 517 N ALA A 65 -5.864 8.965 -9.839 1.00 0.00 N ATOM 518 CA ALA A 65 -5.102 8.487 -10.980 1.00 0.00 C ATOM 519 C ALA A 65 -4.799 6.998 -10.797 1.00 0.00 C ATOM 520 O ALA A 65 -4.560 6.285 -11.771 1.00 0.00 O ATOM 521 CB ALA A 65 -3.833 9.326 -11.134 1.00 0.00 C ATOM 0 H ALA A 65 -5.349 9.580 -9.209 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.678 8.596 -11.899 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.261 8.967 -11.990 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.104 10.370 -11.290 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.228 9.239 -10.232 1.00 0.00 H new ATOM 522 N ILE A 66 -4.819 6.573 -9.543 1.00 0.00 N ATOM 523 CA ILE A 66 -4.548 5.182 -9.219 1.00 0.00 C ATOM 524 C ILE A 66 -5.739 4.322 -9.648 1.00 0.00 C ATOM 525 O ILE A 66 -5.561 3.204 -10.128 1.00 0.00 O ATOM 526 CB ILE A 66 -4.185 5.037 -7.741 1.00 0.00 C ATOM 527 CG1 ILE A 66 -2.828 4.350 -7.574 1.00 0.00 C ATOM 528 CG2 ILE A 66 -5.292 4.312 -6.973 1.00 0.00 C ATOM 529 CD1 ILE A 66 -1.767 5.011 -8.455 1.00 0.00 C ATOM 0 H ILE A 66 -5.019 7.167 -8.738 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.680 4.824 -9.772 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.096 6.035 -7.312 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.519 4.396 -6.530 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.916 3.295 -7.834 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.008 4.222 -5.924 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.220 4.879 -7.051 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.437 3.318 -7.396 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.812 4.504 -8.317 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.067 4.941 -9.500 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.664 6.060 -8.176 1.00 0.00 H new ATOM 530 N ARG A 67 -6.927 4.878 -9.459 1.00 0.00 N ATOM 531 CA ARG A 67 -8.148 4.176 -9.820 1.00 0.00 C ATOM 532 C ARG A 67 -8.561 4.533 -11.249 1.00 0.00 C ATOM 533 O ARG A 67 -9.661 4.194 -11.683 1.00 0.00 O ATOM 534 CB ARG A 67 -9.288 4.528 -8.864 1.00 0.00 C ATOM 535 CG ARG A 67 -9.755 5.969 -9.072 1.00 0.00 C ATOM 536 CD ARG A 67 -11.275 6.035 -9.238 1.00 0.00 C ATOM 537 NE ARG A 67 -11.927 6.100 -7.912 1.00 0.00 N ATOM 538 CZ ARG A 67 -13.186 6.511 -7.713 1.00 0.00 C ATOM 0 H ARG A 67 -7.070 5.806 -9.061 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.949 3.106 -9.752 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -10.123 3.845 -9.022 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.957 4.395 -7.834 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.452 6.580 -8.221 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -9.271 6.388 -9.954 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.547 6.910 -9.829 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.628 5.160 -9.783 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.383 5.814 -7.098 1.00 0.00 H new ATOM 539 N GLU A 68 -7.659 5.212 -11.941 1.00 0.00 N ATOM 540 CA GLU A 68 -7.916 5.618 -13.313 1.00 0.00 C ATOM 541 C GLU A 68 -7.182 4.695 -14.287 1.00 0.00 C ATOM 542 O GLU A 68 -7.627 4.497 -15.416 1.00 0.00 O ATOM 543 CB GLU A 68 -7.518 7.078 -13.536 1.00 0.00 C ATOM 544 CG GLU A 68 -8.556 7.804 -14.396 1.00 0.00 C ATOM 545 CD GLU A 68 -7.889 8.837 -15.305 1.00 0.00 C ATOM 546 OE1 GLU A 68 -7.689 9.972 -14.823 1.00 0.00 O ATOM 547 OE2 GLU A 68 -7.593 8.467 -16.462 1.00 0.00 O ATOM 0 H GLU A 68 -6.748 5.492 -11.577 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.986 5.534 -13.501 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -7.419 7.583 -12.575 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.543 7.123 -14.021 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.102 7.080 -15.001 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.285 8.297 -13.753 1.00 0.00 H new ATOM 548 N ASN A 69 -6.069 4.153 -13.813 1.00 0.00 N ATOM 549 CA ASN A 69 -5.267 3.255 -14.628 1.00 0.00 C ATOM 550 C ASN A 69 -5.420 1.826 -14.105 1.00 0.00 C ATOM 551 O ASN A 69 -4.974 0.875 -14.746 1.00 0.00 O ATOM 552 CB ASN A 69 -3.786 3.628 -14.564 1.00 0.00 C ATOM 553 CG ASN A 69 -3.391 4.517 -15.745 1.00 0.00 C ATOM 554 OD1 ASN A 69 -3.786 4.053 -16.927 1.00 0.00 O flip ATOM 555 ND2 ASN A 69 -2.770 5.556 -15.593 1.00 0.00 N flip ATOM 0 H ASN A 69 -5.704 4.318 -12.875 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.613 3.334 -15.659 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.579 4.147 -13.628 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.179 2.723 -14.567 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.497 5.855 -14.657 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.524 6.126 -16.402 1.00 0.00 H new ATOM 556 N PHE A 70 -6.051 1.719 -12.944 1.00 0.00 N ATOM 557 CA PHE A 70 -6.266 0.422 -12.327 1.00 0.00 C ATOM 558 C PHE A 70 -7.483 -0.280 -12.935 1.00 0.00 C ATOM 559 O PHE A 70 -7.736 -1.449 -12.652 1.00 0.00 O ATOM 560 CB PHE A 70 -6.528 0.671 -10.840 1.00 0.00 C ATOM 561 CG PHE A 70 -5.282 0.548 -9.961 1.00 0.00 C ATOM 562 CD1 PHE A 70 -4.057 0.839 -10.473 1.00 0.00 C ATOM 563 CD2 PHE A 70 -5.400 0.149 -8.666 1.00 0.00 C ATOM 564 CE1 PHE A 70 -2.900 0.725 -9.656 1.00 0.00 C ATOM 565 CE2 PHE A 70 -4.245 0.034 -7.849 1.00 0.00 C ATOM 566 CZ PHE A 70 -3.018 0.325 -8.362 1.00 0.00 C ATOM 0 H PHE A 70 -6.420 2.509 -12.415 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.395 -0.214 -12.486 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.950 1.669 -10.718 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.279 -0.037 -10.490 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.963 1.157 -11.501 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.374 -0.081 -8.259 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.927 0.956 -10.063 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.339 -0.284 -6.821 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.139 0.238 -7.741 1.00 0.00 H new ATOM 567 N LYS A 71 -8.203 0.465 -13.761 1.00 0.00 N ATOM 568 CA LYS A 71 -9.386 -0.070 -14.412 1.00 0.00 C ATOM 569 C LYS A 71 -9.040 -0.459 -15.851 1.00 0.00 C ATOM 570 O LYS A 71 -9.876 -1.007 -16.568 1.00 0.00 O ATOM 571 CB LYS A 71 -10.550 0.918 -14.306 1.00 0.00 C ATOM 572 CG LYS A 71 -10.318 2.136 -15.202 1.00 0.00 C ATOM 573 CD LYS A 71 -10.891 3.403 -14.565 1.00 0.00 C ATOM 574 CE LYS A 71 -11.855 4.111 -15.520 1.00 0.00 C ATOM 575 NZ LYS A 71 -11.117 5.032 -16.412 1.00 0.00 N ATOM 0 H LYS A 71 -7.990 1.435 -13.994 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.720 -0.977 -13.907 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.479 0.424 -14.591 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.665 1.240 -13.271 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.250 2.264 -15.378 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.783 1.971 -16.174 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.411 3.147 -13.642 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.079 4.078 -14.296 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.394 3.374 -16.115 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.599 4.666 -14.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.786 5.504 -17.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.622 5.746 -15.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.424 4.494 -16.970 1.00 0.00 H new ATOM 576 N VAL A 72 -7.805 -0.161 -16.230 1.00 0.00 N ATOM 577 CA VAL A 72 -7.338 -0.474 -17.570 1.00 0.00 C ATOM 578 C VAL A 72 -6.182 -1.470 -17.482 1.00 0.00 C ATOM 579 O VAL A 72 -6.141 -2.447 -18.229 1.00 0.00 O ATOM 580 CB VAL A 72 -6.963 0.815 -18.306 1.00 0.00 C ATOM 581 CG1 VAL A 72 -8.049 1.879 -18.136 1.00 0.00 C ATOM 582 CG2 VAL A 72 -5.604 1.337 -17.838 1.00 0.00 C ATOM 0 H VAL A 72 -7.114 0.294 -15.633 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.130 -0.947 -18.151 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.885 0.584 -19.368 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.758 2.784 -18.668 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.990 1.507 -18.541 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.174 2.105 -17.077 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.361 2.253 -18.376 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.642 1.544 -16.768 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.838 0.587 -18.035 1.00 0.00 H new ATOM 583 N HIS A 73 -5.269 -1.191 -16.563 1.00 0.00 N ATOM 584 CA HIS A 73 -4.115 -2.051 -16.369 1.00 0.00 C ATOM 585 C HIS A 73 -4.536 -3.312 -15.611 1.00 0.00 C ATOM 586 O HIS A 73 -3.748 -4.245 -15.464 1.00 0.00 O ATOM 587 CB HIS A 73 -2.983 -1.293 -15.673 1.00 0.00 C ATOM 588 CG HIS A 73 -2.341 -0.227 -16.530 1.00 0.00 C ATOM 589 ND1 HIS A 73 -2.662 1.086 -16.708 1.00 0.00 N flip ATOM 590 CD2 HIS A 73 -1.234 -0.471 -17.324 1.00 0.00 C flip ATOM 591 CE1 HIS A 73 -1.797 1.616 -17.564 1.00 0.00 C flip ATOM 592 NE2 HIS A 73 -0.912 0.654 -17.948 1.00 0.00 N flip ATOM 0 H HIS A 73 -5.306 -0.381 -15.944 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.724 -2.364 -17.337 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -3.373 -0.830 -14.766 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.218 -2.006 -15.364 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -0.720 -1.416 -17.419 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -1.795 2.642 -17.901 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -0.138 0.777 -18.601 1.00 0.00 H new ATOM 593 N LYS A 74 -5.779 -3.300 -15.152 1.00 0.00 N ATOM 594 CA LYS A 74 -6.314 -4.431 -14.412 1.00 0.00 C ATOM 595 C LYS A 74 -5.939 -5.728 -15.132 1.00 0.00 C ATOM 596 O LYS A 74 -5.745 -6.761 -14.494 1.00 0.00 O ATOM 597 CB LYS A 74 -7.819 -4.262 -14.192 1.00 0.00 C ATOM 598 CG LYS A 74 -8.367 -5.364 -13.282 1.00 0.00 C ATOM 599 CD LYS A 74 -9.659 -4.915 -12.595 1.00 0.00 C ATOM 600 CE LYS A 74 -10.785 -5.922 -12.835 1.00 0.00 C ATOM 601 NZ LYS A 74 -11.846 -5.324 -13.675 1.00 0.00 N ATOM 0 H LYS A 74 -6.431 -2.526 -15.278 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.873 -4.480 -13.416 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.018 -3.286 -13.748 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.336 -4.287 -15.151 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.556 -6.264 -13.867 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.622 -5.624 -12.530 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.487 -4.805 -11.524 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.955 -3.936 -12.973 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.387 -6.812 -13.321 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.205 -6.241 -11.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.602 -6.021 -13.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.238 -4.488 -13.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.445 -5.042 -14.592 1.00 0.00 H new ATOM 602 N SER A 75 -5.849 -5.631 -16.450 1.00 0.00 N ATOM 603 CA SER A 75 -5.501 -6.785 -17.263 1.00 0.00 C ATOM 604 C SER A 75 -4.001 -6.778 -17.564 1.00 0.00 C ATOM 605 O SER A 75 -3.422 -7.818 -17.873 1.00 0.00 O ATOM 606 CB SER A 75 -6.304 -6.803 -18.565 1.00 0.00 C ATOM 607 OG SER A 75 -7.609 -7.346 -18.380 1.00 0.00 O ATOM 0 H SER A 75 -6.011 -4.772 -16.976 1.00 0.00 H new ATOM 0 HA SER A 75 -5.749 -7.687 -16.703 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.385 -5.788 -18.955 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.770 -7.390 -19.312 1.00 0.00 H new ATOM 0 HG SER A 75 -8.090 -7.339 -19.234 1.00 0.00 H new ATOM 608 N HIS A 76 -3.414 -5.594 -17.464 1.00 0.00 N ATOM 609 CA HIS A 76 -1.993 -5.439 -17.722 1.00 0.00 C ATOM 610 C HIS A 76 -1.194 -5.974 -16.532 1.00 0.00 C ATOM 611 O HIS A 76 -0.020 -6.313 -16.670 1.00 0.00 O ATOM 612 CB HIS A 76 -1.657 -3.985 -18.057 1.00 0.00 C ATOM 613 CG HIS A 76 -2.524 -3.388 -19.140 1.00 0.00 C ATOM 614 ND1 HIS A 76 -3.833 -3.604 -19.455 1.00 0.00 N flip ATOM 615 CD2 HIS A 76 -2.054 -2.452 -20.046 1.00 0.00 C flip ATOM 616 CE1 HIS A 76 -4.147 -2.841 -20.494 1.00 0.00 C flip ATOM 617 NE2 HIS A 76 -3.045 -2.126 -20.862 1.00 0.00 N flip ATOM 0 H HIS A 76 -3.897 -4.733 -17.208 1.00 0.00 H new ATOM 0 HA HIS A 76 -1.712 -6.026 -18.597 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.755 -3.383 -17.154 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -0.614 -3.926 -18.367 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -1.050 -2.055 -20.081 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -5.115 -2.794 -20.970 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -2.993 -1.458 -21.631 1.00 0.00 H new ATOM 618 N ILE A 77 -1.863 -6.031 -15.389 1.00 0.00 N ATOM 619 CA ILE A 77 -1.229 -6.518 -14.176 1.00 0.00 C ATOM 620 C ILE A 77 -1.552 -8.004 -13.998 1.00 0.00 C ATOM 621 O ILE A 77 -2.651 -8.447 -14.328 1.00 0.00 O ATOM 622 CB ILE A 77 -1.631 -5.654 -12.978 1.00 0.00 C ATOM 623 CG1 ILE A 77 -0.795 -4.374 -12.921 1.00 0.00 C ATOM 624 CG2 ILE A 77 -1.550 -6.452 -11.675 1.00 0.00 C ATOM 625 CD1 ILE A 77 -0.887 -3.599 -14.236 1.00 0.00 C ATOM 0 H ILE A 77 -2.837 -5.748 -15.278 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.145 -6.434 -14.252 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.671 -5.353 -13.106 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.141 -3.746 -12.100 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.246 -4.624 -12.714 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.841 -5.815 -10.840 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.223 -7.308 -11.730 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.529 -6.802 -11.526 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.284 -2.694 -14.168 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.518 -4.221 -15.051 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.926 -3.329 -14.427 1.00 0.00 H new ATOM 626 N LEU A 78 -0.574 -8.730 -13.477 1.00 0.00 N ATOM 627 CA LEU A 78 -0.739 -10.156 -13.252 1.00 0.00 C ATOM 628 C LEU A 78 -0.666 -10.442 -11.750 1.00 0.00 C ATOM 629 O LEU A 78 -0.403 -9.542 -10.956 1.00 0.00 O ATOM 630 CB LEU A 78 0.273 -10.950 -14.080 1.00 0.00 C ATOM 631 CG LEU A 78 1.549 -10.204 -14.475 1.00 0.00 C ATOM 632 CD1 LEU A 78 1.254 -9.134 -15.528 1.00 0.00 C ATOM 633 CD2 LEU A 78 2.246 -9.620 -13.243 1.00 0.00 C ATOM 0 H LEU A 78 0.336 -8.358 -13.204 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.721 -10.485 -13.592 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.555 -11.839 -13.517 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.220 -11.292 -14.990 1.00 0.00 H new ATOM 0 HG LEU A 78 2.238 -10.918 -14.926 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.178 -8.618 -15.791 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.835 -9.605 -16.417 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.539 -8.416 -15.126 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.150 -9.095 -13.551 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.575 -8.923 -12.741 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.510 -10.426 -12.558 1.00 0.00 H new ATOM 634 N ALA A 79 -0.904 -11.700 -11.408 1.00 0.00 N ATOM 635 CA ALA A 79 -0.870 -12.116 -10.017 1.00 0.00 C ATOM 636 C ALA A 79 0.487 -11.746 -9.413 1.00 0.00 C ATOM 637 O ALA A 79 1.529 -11.992 -10.017 1.00 0.00 O ATOM 638 CB ALA A 79 -1.158 -13.616 -9.925 1.00 0.00 C ATOM 0 H ALA A 79 -1.121 -12.444 -12.071 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.640 -11.600 -9.443 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.132 -13.928 -8.881 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.144 -13.823 -10.342 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.403 -14.167 -10.487 1.00 0.00 H new ATOM 639 N LYS A 80 0.428 -11.158 -8.226 1.00 0.00 N ATOM 640 CA LYS A 80 1.639 -10.750 -7.533 1.00 0.00 C ATOM 641 C LYS A 80 1.308 -9.613 -6.564 1.00 0.00 C ATOM 642 O LYS A 80 1.000 -8.501 -6.989 1.00 0.00 O ATOM 643 CB LYS A 80 2.740 -10.403 -8.537 1.00 0.00 C ATOM 644 CG LYS A 80 3.838 -9.565 -7.878 1.00 0.00 C ATOM 645 CD LYS A 80 5.203 -10.245 -8.016 1.00 0.00 C ATOM 646 CE LYS A 80 6.291 -9.225 -8.357 1.00 0.00 C ATOM 647 NZ LYS A 80 6.901 -9.538 -9.668 1.00 0.00 N ATOM 0 H LYS A 80 -0.438 -10.955 -7.727 1.00 0.00 H new ATOM 0 HA LYS A 80 2.033 -11.573 -6.936 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.170 -11.319 -8.942 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.312 -9.854 -9.376 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.872 -8.577 -8.337 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.605 -9.419 -6.823 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.455 -10.754 -7.086 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.157 -11.007 -8.794 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.864 -8.222 -8.378 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.058 -9.229 -7.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.637 -8.836 -9.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.326 -10.487 -9.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.169 -9.511 -10.407 1.00 0.00 H new ATOM 648 N ASP A 81 1.383 -9.931 -5.281 1.00 0.00 N ATOM 649 CA ASP A 81 1.096 -8.951 -4.248 1.00 0.00 C ATOM 650 C ASP A 81 1.723 -7.609 -4.636 1.00 0.00 C ATOM 651 O ASP A 81 2.933 -7.427 -4.513 1.00 0.00 O ATOM 652 CB ASP A 81 1.688 -9.377 -2.903 1.00 0.00 C ATOM 653 CG ASP A 81 0.821 -9.053 -1.684 1.00 0.00 C ATOM 654 OD1 ASP A 81 0.117 -8.023 -1.747 1.00 0.00 O ATOM 655 OD2 ASP A 81 0.884 -9.843 -0.717 1.00 0.00 O ATOM 0 H ASP A 81 1.639 -10.855 -4.933 1.00 0.00 H new ATOM 0 HA ASP A 81 0.013 -8.867 -4.155 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.869 -10.452 -2.926 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.657 -8.893 -2.780 1.00 0.00 H new ATOM 656 N ILE A 82 0.871 -6.705 -5.097 1.00 0.00 N ATOM 657 CA ILE A 82 1.326 -5.387 -5.504 1.00 0.00 C ATOM 658 C ILE A 82 0.697 -4.332 -4.592 1.00 0.00 C ATOM 659 O ILE A 82 -0.418 -4.510 -4.107 1.00 0.00 O ATOM 660 CB ILE A 82 1.049 -5.160 -6.991 1.00 0.00 C ATOM 661 CG1 ILE A 82 1.340 -3.711 -7.388 1.00 0.00 C ATOM 662 CG2 ILE A 82 -0.379 -5.577 -7.352 1.00 0.00 C ATOM 663 CD1 ILE A 82 0.084 -2.847 -7.270 1.00 0.00 C ATOM 0 H ILE A 82 -0.132 -6.860 -5.198 1.00 0.00 H new ATOM 0 HA ILE A 82 2.407 -5.304 -5.390 1.00 0.00 H new ATOM 0 HB ILE A 82 1.725 -5.793 -7.565 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.125 -3.306 -6.750 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.713 -3.679 -8.412 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.550 -5.406 -8.415 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.517 -6.635 -7.128 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.088 -4.988 -6.770 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.319 -1.822 -7.558 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.691 -3.240 -7.928 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.272 -2.862 -6.240 1.00 0.00 H new ATOM 664 N ILE A 83 1.442 -3.254 -4.387 1.00 0.00 N ATOM 665 CA ILE A 83 0.971 -2.170 -3.542 1.00 0.00 C ATOM 666 C ILE A 83 1.656 -0.868 -3.961 1.00 0.00 C ATOM 667 O ILE A 83 2.870 -0.726 -3.816 1.00 0.00 O ATOM 668 CB ILE A 83 1.164 -2.519 -2.065 1.00 0.00 C ATOM 669 CG1 ILE A 83 0.417 -3.803 -1.701 1.00 0.00 C ATOM 670 CG2 ILE A 83 0.760 -1.347 -1.167 1.00 0.00 C ATOM 671 CD1 ILE A 83 0.409 -4.024 -0.188 1.00 0.00 C ATOM 0 H ILE A 83 2.367 -3.109 -4.791 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.101 -2.023 -3.673 1.00 0.00 H new ATOM 0 HB ILE A 83 2.224 -2.705 -1.895 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.607 -3.748 -2.069 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.888 -4.654 -2.194 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.907 -1.622 -0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.375 -0.478 -1.404 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.290 -1.105 -1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.129 -4.944 0.043 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.434 -4.103 0.174 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.084 -3.183 0.300 1.00 0.00 H new ATOM 672 N VAL A 84 0.850 0.049 -4.474 1.00 0.00 N ATOM 673 CA VAL A 84 1.363 1.334 -4.916 1.00 0.00 C ATOM 674 C VAL A 84 1.076 2.389 -3.844 1.00 0.00 C ATOM 675 O VAL A 84 -0.007 2.972 -3.817 1.00 0.00 O ATOM 676 CB VAL A 84 0.773 1.694 -6.281 1.00 0.00 C ATOM 677 CG1 VAL A 84 0.869 0.511 -7.248 1.00 0.00 C ATOM 678 CG2 VAL A 84 -0.675 2.172 -6.144 1.00 0.00 C ATOM 0 H VAL A 84 -0.156 -0.072 -4.594 1.00 0.00 H new ATOM 0 HA VAL A 84 2.444 1.288 -5.047 1.00 0.00 H new ATOM 0 HB VAL A 84 1.360 2.515 -6.694 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.443 0.793 -8.211 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.915 0.234 -7.381 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.318 -0.337 -6.841 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.071 2.421 -7.129 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.279 1.381 -5.700 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.708 3.055 -5.506 1.00 0.00 H new ATOM 679 N ILE A 85 2.065 2.602 -2.990 1.00 0.00 N ATOM 680 CA ILE A 85 1.932 3.575 -1.920 1.00 0.00 C ATOM 681 C ILE A 85 2.439 4.935 -2.407 1.00 0.00 C ATOM 682 O ILE A 85 3.402 5.006 -3.168 1.00 0.00 O ATOM 683 CB ILE A 85 2.632 3.078 -0.652 1.00 0.00 C ATOM 684 CG1 ILE A 85 2.581 1.551 -0.562 1.00 0.00 C ATOM 685 CG2 ILE A 85 2.047 3.746 0.594 1.00 0.00 C ATOM 686 CD1 ILE A 85 3.936 0.937 -0.920 1.00 0.00 C ATOM 0 H ILE A 85 2.962 2.117 -3.017 1.00 0.00 H new ATOM 0 HA ILE A 85 0.884 3.702 -1.650 1.00 0.00 H new ATOM 0 HB ILE A 85 3.683 3.363 -0.706 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.297 1.252 0.447 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.814 1.168 -1.236 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.561 3.376 1.481 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.177 4.826 0.523 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.985 3.513 0.667 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.874 -0.149 -0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.206 1.219 -1.938 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.695 1.303 -0.229 1.00 0.00 H new ATOM 687 N ALA A 86 1.765 5.980 -1.949 1.00 0.00 N ATOM 688 CA ALA A 86 2.134 7.333 -2.329 1.00 0.00 C ATOM 689 C ALA A 86 3.222 7.845 -1.383 1.00 0.00 C ATOM 690 O ALA A 86 3.018 7.906 -0.172 1.00 0.00 O ATOM 691 CB ALA A 86 0.890 8.223 -2.322 1.00 0.00 C ATOM 0 H ALA A 86 0.966 5.917 -1.318 1.00 0.00 H new ATOM 0 HA ALA A 86 2.541 7.350 -3.340 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.167 9.238 -2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.160 7.833 -3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.455 8.233 -1.322 1.00 0.00 H new ATOM 692 N ARG A 87 4.354 8.201 -1.973 1.00 0.00 N ATOM 693 CA ARG A 87 5.474 8.706 -1.198 1.00 0.00 C ATOM 694 C ARG A 87 5.050 9.932 -0.386 1.00 0.00 C ATOM 695 O ARG A 87 3.859 10.162 -0.179 1.00 0.00 O ATOM 696 CB ARG A 87 6.647 9.085 -2.105 1.00 0.00 C ATOM 697 CG ARG A 87 7.888 8.255 -1.774 1.00 0.00 C ATOM 698 CD ARG A 87 9.027 9.147 -1.275 1.00 0.00 C ATOM 699 NE ARG A 87 9.323 8.845 0.143 1.00 0.00 N ATOM 700 CZ ARG A 87 9.870 7.699 0.568 1.00 0.00 C ATOM 0 H ARG A 87 4.519 8.150 -2.978 1.00 0.00 H new ATOM 0 HA ARG A 87 5.793 7.912 -0.523 1.00 0.00 H new ATOM 0 HB2 ARG A 87 6.369 8.930 -3.148 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.873 10.145 -1.989 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.642 7.514 -1.014 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.211 7.708 -2.660 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.918 8.988 -1.883 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.752 10.196 -1.382 1.00 0.00 H new ATOM 0 HE ARG A 87 9.096 9.554 0.840 1.00 0.00 H new ATOM 701 N GLN A 88 6.046 10.687 0.051 1.00 0.00 N ATOM 702 CA GLN A 88 5.790 11.884 0.834 1.00 0.00 C ATOM 703 C GLN A 88 5.432 13.053 -0.084 1.00 0.00 C ATOM 704 O GLN A 88 4.379 13.668 0.070 1.00 0.00 O ATOM 705 CB GLN A 88 6.992 12.228 1.718 1.00 0.00 C ATOM 706 CG GLN A 88 7.042 13.728 2.014 1.00 0.00 C ATOM 707 CD GLN A 88 8.008 14.442 1.066 1.00 0.00 C ATOM 708 OE1 GLN A 88 7.463 15.463 0.408 1.00 0.00 O flip ATOM 709 NE2 GLN A 88 9.168 14.090 0.939 1.00 0.00 N flip ATOM 0 H GLN A 88 7.032 10.493 -0.122 1.00 0.00 H new ATOM 0 HA GLN A 88 4.941 11.691 1.490 1.00 0.00 H new ATOM 0 HB2 GLN A 88 6.932 11.671 2.653 1.00 0.00 H new ATOM 0 HB3 GLN A 88 7.913 11.920 1.222 1.00 0.00 H new ATOM 0 HG2 GLN A 88 6.045 14.156 1.913 1.00 0.00 H new ATOM 0 HG3 GLN A 88 7.354 13.888 3.046 1.00 0.00 H new ATOM 0 HE21 GLN A 88 9.522 13.298 1.475 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.785 14.588 0.297 1.00 0.00 H new ATOM 710 N PRO A 89 6.354 13.333 -1.045 1.00 0.00 N ATOM 711 CA PRO A 89 6.146 14.419 -1.988 1.00 0.00 C ATOM 712 C PRO A 89 5.109 14.034 -3.046 1.00 0.00 C ATOM 713 O PRO A 89 4.887 14.777 -4.001 1.00 0.00 O ATOM 714 CB PRO A 89 7.519 14.697 -2.577 1.00 0.00 C ATOM 715 CG PRO A 89 8.355 13.459 -2.290 1.00 0.00 C ATOM 716 CD PRO A 89 7.613 12.626 -1.257 1.00 0.00 C ATOM 0 HA PRO A 89 5.741 15.314 -1.516 1.00 0.00 H new ATOM 0 HB2 PRO A 89 7.453 14.884 -3.649 1.00 0.00 H new ATOM 0 HB3 PRO A 89 7.965 15.583 -2.126 1.00 0.00 H new ATOM 0 HG2 PRO A 89 8.512 12.884 -3.203 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.340 13.741 -1.917 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.442 11.611 -1.616 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.182 12.545 -0.331 1.00 0.00 H new ATOM 717 N ALA A 90 4.503 12.874 -2.839 1.00 0.00 N ATOM 718 CA ALA A 90 3.494 12.382 -3.764 1.00 0.00 C ATOM 719 C ALA A 90 2.236 13.245 -3.644 1.00 0.00 C ATOM 720 O ALA A 90 1.280 13.061 -4.398 1.00 0.00 O ATOM 721 CB ALA A 90 3.218 10.905 -3.479 1.00 0.00 C ATOM 0 H ALA A 90 4.690 12.261 -2.046 1.00 0.00 H new ATOM 0 HA ALA A 90 3.847 12.455 -4.793 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.462 10.536 -4.172 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.137 10.332 -3.605 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.858 10.793 -2.456 1.00 0.00 H new ATOM 722 N LYS A 91 2.275 14.165 -2.692 1.00 0.00 N ATOM 723 CA LYS A 91 1.150 15.055 -2.465 1.00 0.00 C ATOM 724 C LYS A 91 1.237 16.238 -3.431 1.00 0.00 C ATOM 725 O LYS A 91 0.216 16.799 -3.824 1.00 0.00 O ATOM 726 CB LYS A 91 1.082 15.467 -0.992 1.00 0.00 C ATOM 727 CG LYS A 91 1.992 16.666 -0.717 1.00 0.00 C ATOM 728 CD LYS A 91 1.677 17.292 0.644 1.00 0.00 C ATOM 729 CE LYS A 91 2.725 16.897 1.685 1.00 0.00 C ATOM 730 NZ LYS A 91 4.024 17.538 1.381 1.00 0.00 N ATOM 0 H LYS A 91 3.069 14.313 -2.069 1.00 0.00 H new ATOM 0 HA LYS A 91 0.211 14.542 -2.673 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.055 15.717 -0.727 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.378 14.628 -0.362 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.035 16.349 -0.743 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.865 17.411 -1.502 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.644 18.377 0.550 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.690 16.971 0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.390 17.194 2.679 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.842 15.813 1.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.587 17.611 2.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.539 16.965 0.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.860 18.489 0.995 1.00 0.00 H new ATOM 731 N ASP A 92 2.466 16.581 -3.787 1.00 0.00 N ATOM 732 CA ASP A 92 2.700 17.687 -4.700 1.00 0.00 C ATOM 733 C ASP A 92 2.477 17.212 -6.137 1.00 0.00 C ATOM 734 O ASP A 92 2.621 17.987 -7.080 1.00 0.00 O ATOM 735 CB ASP A 92 4.138 18.197 -4.589 1.00 0.00 C ATOM 736 CG ASP A 92 4.298 19.521 -3.839 1.00 0.00 C ATOM 737 OD1 ASP A 92 3.394 20.371 -3.989 1.00 0.00 O ATOM 738 OD2 ASP A 92 5.321 19.653 -3.133 1.00 0.00 O ATOM 0 H ASP A 92 3.311 16.112 -3.460 1.00 0.00 H new ATOM 0 HA ASP A 92 2.011 18.491 -4.440 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.739 17.438 -4.088 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.545 18.314 -5.593 1.00 0.00 H new ATOM 739 N MET A 93 2.127 15.939 -6.258 1.00 0.00 N ATOM 740 CA MET A 93 1.882 15.351 -7.564 1.00 0.00 C ATOM 741 C MET A 93 0.526 15.792 -8.118 1.00 0.00 C ATOM 742 O MET A 93 -0.089 16.721 -7.596 1.00 0.00 O ATOM 743 CB MET A 93 1.917 13.826 -7.453 1.00 0.00 C ATOM 744 CG MET A 93 3.196 13.260 -8.073 1.00 0.00 C ATOM 745 SD MET A 93 3.116 11.477 -8.118 1.00 0.00 S ATOM 746 CE MET A 93 1.860 11.192 -6.883 1.00 0.00 C ATOM 0 H MET A 93 2.007 15.299 -5.473 1.00 0.00 H new ATOM 0 HA MET A 93 2.661 15.692 -8.247 1.00 0.00 H new ATOM 0 HB2 MET A 93 1.856 13.533 -6.405 1.00 0.00 H new ATOM 0 HB3 MET A 93 1.047 13.401 -7.954 1.00 0.00 H new ATOM 0 HG2 MET A 93 3.325 13.652 -9.082 1.00 0.00 H new ATOM 0 HG3 MET A 93 4.063 13.579 -7.494 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.659 10.123 -6.808 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.206 11.565 -5.919 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.946 11.714 -7.166 1.00 0.00 H new ATOM 747 N THR A 94 0.099 15.105 -9.167 1.00 0.00 N ATOM 748 CA THR A 94 -1.173 15.413 -9.797 1.00 0.00 C ATOM 749 C THR A 94 -1.778 14.155 -10.421 1.00 0.00 C ATOM 750 O THR A 94 -1.112 13.127 -10.525 1.00 0.00 O ATOM 751 CB THR A 94 -0.941 16.540 -10.805 1.00 0.00 C ATOM 752 OG1 THR A 94 -0.044 15.974 -11.757 1.00 0.00 O ATOM 753 CG2 THR A 94 -0.158 17.710 -10.206 1.00 0.00 C ATOM 0 H THR A 94 0.612 14.335 -9.597 1.00 0.00 H new ATOM 0 HA THR A 94 -1.903 15.758 -9.065 1.00 0.00 H new ATOM 0 HB THR A 94 -1.901 16.898 -11.176 1.00 0.00 H new ATOM 0 HG1 THR A 94 0.159 16.637 -12.449 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.021 18.482 -10.963 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.710 18.123 -9.362 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.816 17.359 -9.865 1.00 0.00 H new ATOM 754 N THR A 95 -3.036 14.277 -10.822 1.00 0.00 N ATOM 755 CA THR A 95 -3.739 13.162 -11.433 1.00 0.00 C ATOM 756 C THR A 95 -3.050 12.746 -12.734 1.00 0.00 C ATOM 757 O THR A 95 -3.384 11.716 -13.316 1.00 0.00 O ATOM 758 CB THR A 95 -5.200 13.572 -11.624 1.00 0.00 C ATOM 759 OG1 THR A 95 -5.848 13.110 -10.442 1.00 0.00 O ATOM 760 CG2 THR A 95 -5.884 12.795 -12.751 1.00 0.00 C ATOM 0 H THR A 95 -3.586 15.132 -10.735 1.00 0.00 H new ATOM 0 HA THR A 95 -3.715 12.280 -10.793 1.00 0.00 H new ATOM 0 HB THR A 95 -5.252 14.640 -11.836 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.801 13.336 -10.482 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.919 13.125 -12.844 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.359 12.977 -13.689 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.862 11.729 -12.524 1.00 0.00 H new ATOM 761 N LEU A 96 -2.099 13.569 -13.152 1.00 0.00 N ATOM 762 CA LEU A 96 -1.360 13.300 -14.374 1.00 0.00 C ATOM 763 C LEU A 96 -0.054 12.582 -14.027 1.00 0.00 C ATOM 764 O LEU A 96 0.336 11.634 -14.706 1.00 0.00 O ATOM 765 CB LEU A 96 -1.159 14.589 -15.173 1.00 0.00 C ATOM 766 CG LEU A 96 -0.730 14.413 -16.632 1.00 0.00 C ATOM 767 CD1 LEU A 96 0.795 14.442 -16.762 1.00 0.00 C ATOM 768 CD2 LEU A 96 -1.332 13.141 -17.231 1.00 0.00 C ATOM 0 H LEU A 96 -1.823 14.422 -12.666 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.928 12.634 -15.024 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.091 15.154 -15.155 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.409 15.195 -14.665 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.119 15.254 -17.206 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.073 14.315 -17.808 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.173 15.398 -16.399 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.226 13.634 -16.171 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.011 13.040 -18.268 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.995 12.275 -16.661 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.420 13.200 -17.192 1.00 0.00 H new ATOM 769 N GLN A 97 0.585 13.062 -12.969 1.00 0.00 N ATOM 770 CA GLN A 97 1.838 12.477 -12.525 1.00 0.00 C ATOM 771 C GLN A 97 1.634 11.008 -12.148 1.00 0.00 C ATOM 772 O GLN A 97 2.269 10.123 -12.720 1.00 0.00 O ATOM 773 CB GLN A 97 2.426 13.267 -11.353 1.00 0.00 C ATOM 774 CG GLN A 97 2.588 14.745 -11.715 1.00 0.00 C ATOM 775 CD GLN A 97 4.036 15.200 -11.525 1.00 0.00 C ATOM 776 OE1 GLN A 97 4.363 15.953 -10.622 1.00 0.00 O ATOM 777 NE2 GLN A 97 4.882 14.702 -12.422 1.00 0.00 N ATOM 0 H GLN A 97 0.258 13.848 -12.408 1.00 0.00 H new ATOM 0 HA GLN A 97 2.551 12.525 -13.348 1.00 0.00 H new ATOM 0 HB2 GLN A 97 1.777 13.171 -10.483 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.394 12.848 -11.076 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.286 14.905 -12.750 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.928 15.350 -11.093 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.541 14.077 -13.152 1.00 0.00 H new ATOM 0 HE22 GLN A 97 5.872 14.945 -12.380 1.00 0.00 H new ATOM 778 N ILE A 98 0.747 10.794 -11.188 1.00 0.00 N ATOM 779 CA ILE A 98 0.452 9.448 -10.728 1.00 0.00 C ATOM 780 C ILE A 98 0.476 8.489 -11.920 1.00 0.00 C ATOM 781 O ILE A 98 1.241 7.525 -11.931 1.00 0.00 O ATOM 782 CB ILE A 98 -0.863 9.425 -9.947 1.00 0.00 C ATOM 783 CG1 ILE A 98 -0.675 9.989 -8.537 1.00 0.00 C ATOM 784 CG2 ILE A 98 -1.463 8.016 -9.925 1.00 0.00 C ATOM 785 CD1 ILE A 98 -1.081 11.463 -8.478 1.00 0.00 C ATOM 0 H ILE A 98 0.223 11.531 -10.716 1.00 0.00 H new ATOM 0 HA ILE A 98 1.217 9.108 -10.030 1.00 0.00 H new ATOM 0 HB ILE A 98 -1.575 10.072 -10.460 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -1.273 9.415 -7.829 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.367 9.883 -8.235 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.397 8.027 -9.364 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -1.657 7.687 -10.946 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.762 7.330 -9.450 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.938 11.840 -7.465 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -0.465 12.038 -9.169 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.130 11.563 -8.757 1.00 0.00 H new ATOM 786 N GLN A 99 -0.369 8.788 -12.896 1.00 0.00 N ATOM 787 CA GLN A 99 -0.454 7.965 -14.091 1.00 0.00 C ATOM 788 C GLN A 99 0.932 7.788 -14.713 1.00 0.00 C ATOM 789 O GLN A 99 1.306 6.682 -15.099 1.00 0.00 O ATOM 790 CB GLN A 99 -1.437 8.563 -15.099 1.00 0.00 C ATOM 791 CG GLN A 99 -2.853 8.608 -14.524 1.00 0.00 C ATOM 792 CD GLN A 99 -3.848 9.144 -15.557 1.00 0.00 C ATOM 793 OE1 GLN A 99 -4.451 8.406 -16.317 1.00 0.00 O ATOM 794 NE2 GLN A 99 -3.983 10.467 -15.543 1.00 0.00 N ATOM 0 H GLN A 99 -1.001 9.589 -12.884 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.830 6.982 -13.807 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -1.118 9.570 -15.369 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -1.431 7.970 -16.014 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -3.153 7.609 -14.209 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.869 9.240 -13.636 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -3.448 11.027 -14.880 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -4.622 10.921 -16.195 1.00 0.00 H new ATOM 795 N ASN A 100 1.656 8.895 -14.791 1.00 0.00 N ATOM 796 CA ASN A 100 2.992 8.876 -15.360 1.00 0.00 C ATOM 797 C ASN A 100 3.926 8.094 -14.435 1.00 0.00 C ATOM 798 O ASN A 100 4.947 7.568 -14.874 1.00 0.00 O ATOM 799 CB ASN A 100 3.549 10.294 -15.506 1.00 0.00 C ATOM 800 CG ASN A 100 3.133 10.912 -16.843 1.00 0.00 C ATOM 801 OD1 ASN A 100 3.073 10.254 -17.868 1.00 0.00 O ATOM 802 ND2 ASN A 100 2.850 12.210 -16.773 1.00 0.00 N ATOM 0 H ASN A 100 1.342 9.811 -14.469 1.00 0.00 H new ATOM 0 HA ASN A 100 2.932 8.409 -16.343 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.189 10.916 -14.686 1.00 0.00 H new ATOM 0 HB3 ASN A 100 4.636 10.270 -15.435 1.00 0.00 H new ATOM 0 HD21 ASN A 100 2.562 12.715 -17.611 1.00 0.00 H new ATOM 0 HD22 ASN A 100 2.921 12.700 -15.881 1.00 0.00 H new ATOM 803 N SER A 101 3.542 8.042 -13.167 1.00 0.00 N ATOM 804 CA SER A 101 4.331 7.333 -12.174 1.00 0.00 C ATOM 805 C SER A 101 4.176 5.823 -12.362 1.00 0.00 C ATOM 806 O SER A 101 5.163 5.112 -12.543 1.00 0.00 O ATOM 807 CB SER A 101 3.924 7.736 -10.756 1.00 0.00 C ATOM 808 OG SER A 101 2.848 6.942 -10.264 1.00 0.00 O ATOM 0 H SER A 101 2.695 8.480 -12.805 1.00 0.00 H new ATOM 0 HA SER A 101 5.378 7.604 -12.313 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.782 7.637 -10.091 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.633 8.786 -10.747 1.00 0.00 H new ATOM 0 HG SER A 101 2.016 7.208 -10.708 1.00 0.00 H new ATOM 809 N LEU A 102 2.929 5.379 -12.314 1.00 0.00 N ATOM 810 CA LEU A 102 2.631 3.966 -12.476 1.00 0.00 C ATOM 811 C LEU A 102 3.389 3.425 -13.691 1.00 0.00 C ATOM 812 O LEU A 102 3.826 2.276 -13.694 1.00 0.00 O ATOM 813 CB LEU A 102 1.119 3.741 -12.547 1.00 0.00 C ATOM 814 CG LEU A 102 0.351 3.936 -11.238 1.00 0.00 C ATOM 815 CD1 LEU A 102 -0.513 5.197 -11.292 1.00 0.00 C ATOM 816 CD2 LEU A 102 -0.471 2.692 -10.894 1.00 0.00 C ATOM 0 H LEU A 102 2.113 5.973 -12.165 1.00 0.00 H new ATOM 0 HA LEU A 102 2.974 3.404 -11.608 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.705 4.420 -13.293 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.939 2.727 -12.904 1.00 0.00 H new ATOM 0 HG LEU A 102 1.075 4.076 -10.435 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.048 5.312 -10.349 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.123 6.067 -11.457 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.230 5.112 -12.108 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -1.007 2.857 -9.959 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.186 2.496 -11.693 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.194 1.835 -10.784 1.00 0.00 H new ATOM 817 N GLU A 103 3.523 4.281 -14.694 1.00 0.00 N ATOM 818 CA GLU A 103 4.222 3.905 -15.911 1.00 0.00 C ATOM 819 C GLU A 103 5.701 3.648 -15.617 1.00 0.00 C ATOM 820 O GLU A 103 6.449 3.230 -16.498 1.00 0.00 O ATOM 821 CB GLU A 103 4.055 4.975 -16.992 1.00 0.00 C ATOM 822 CG GLU A 103 2.937 4.599 -17.968 1.00 0.00 C ATOM 823 CD GLU A 103 3.320 4.961 -19.404 1.00 0.00 C ATOM 824 OE1 GLU A 103 4.160 4.228 -19.969 1.00 0.00 O ATOM 825 OE2 GLU A 103 2.763 5.961 -19.905 1.00 0.00 O ATOM 0 H GLU A 103 3.159 5.234 -14.688 1.00 0.00 H new ATOM 0 HA GLU A 103 3.782 2.982 -16.289 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.829 5.935 -16.527 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.992 5.097 -17.536 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.734 3.530 -17.900 1.00 0.00 H new ATOM 0 HG3 GLU A 103 2.018 5.116 -17.691 1.00 0.00 H new ATOM 826 N HIS A 104 6.078 3.910 -14.374 1.00 0.00 N ATOM 827 CA HIS A 104 7.455 3.713 -13.952 1.00 0.00 C ATOM 828 C HIS A 104 7.482 2.909 -12.650 1.00 0.00 C ATOM 829 O HIS A 104 7.854 1.737 -12.648 1.00 0.00 O ATOM 830 CB HIS A 104 8.185 5.053 -13.837 1.00 0.00 C ATOM 831 CG HIS A 104 9.379 5.024 -12.914 1.00 0.00 C ATOM 832 ND1 HIS A 104 10.187 6.127 -12.699 1.00 0.00 N ATOM 833 CD2 HIS A 104 9.893 4.015 -12.152 1.00 0.00 C ATOM 834 CE1 HIS A 104 11.141 5.786 -11.845 1.00 0.00 C ATOM 835 NE2 HIS A 104 10.958 4.477 -11.508 1.00 0.00 N ATOM 0 H HIS A 104 5.454 4.257 -13.645 1.00 0.00 H new ATOM 0 HA HIS A 104 7.992 3.137 -14.706 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.513 5.363 -14.829 1.00 0.00 H new ATOM 0 HB3 HIS A 104 7.483 5.808 -13.483 1.00 0.00 H new ATOM 0 HD1 HIS A 104 10.068 7.046 -13.125 1.00 0.00 H new ATOM 0 HD2 HIS A 104 9.500 3.011 -12.084 1.00 0.00 H new ATOM 0 HE1 HIS A 104 11.926 6.431 -11.480 1.00 0.00 H new ATOM 836 N VAL A 105 7.084 3.572 -11.575 1.00 0.00 N ATOM 837 CA VAL A 105 7.059 2.935 -10.269 1.00 0.00 C ATOM 838 C VAL A 105 6.575 1.491 -10.420 1.00 0.00 C ATOM 839 O VAL A 105 7.239 0.559 -9.970 1.00 0.00 O ATOM 840 CB VAL A 105 6.202 3.754 -9.303 1.00 0.00 C ATOM 841 CG1 VAL A 105 4.732 3.740 -9.727 1.00 0.00 C ATOM 842 CG2 VAL A 105 6.363 3.253 -7.866 1.00 0.00 C ATOM 0 H VAL A 105 6.776 4.544 -11.581 1.00 0.00 H new ATOM 0 HA VAL A 105 8.061 2.900 -9.843 1.00 0.00 H new ATOM 0 HB VAL A 105 6.551 4.786 -9.339 1.00 0.00 H new ATOM 0 HG11 VAL A 105 4.145 4.330 -9.023 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.637 4.167 -10.726 1.00 0.00 H new ATOM 0 HG13 VAL A 105 4.365 2.714 -9.735 1.00 0.00 H new ATOM 0 HG21 VAL A 105 5.743 3.853 -7.200 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.054 2.209 -7.808 1.00 0.00 H new ATOM 0 HG23 VAL A 105 7.407 3.339 -7.565 1.00 0.00 H new ATOM 843 N LEU A 106 5.421 1.351 -11.056 1.00 0.00 N ATOM 844 CA LEU A 106 4.841 0.037 -11.274 1.00 0.00 C ATOM 845 C LEU A 106 5.656 -0.707 -12.332 1.00 0.00 C ATOM 846 O LEU A 106 5.908 -1.904 -12.199 1.00 0.00 O ATOM 847 CB LEU A 106 3.354 0.158 -11.615 1.00 0.00 C ATOM 848 CG LEU A 106 2.960 -0.224 -13.043 1.00 0.00 C ATOM 849 CD1 LEU A 106 2.865 -1.744 -13.197 1.00 0.00 C ATOM 850 CD2 LEU A 106 1.668 0.477 -13.463 1.00 0.00 C ATOM 0 H LEU A 106 4.872 2.126 -11.427 1.00 0.00 H new ATOM 0 HA LEU A 106 4.888 -0.556 -10.361 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.791 -0.469 -10.924 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.043 1.187 -11.437 1.00 0.00 H new ATOM 0 HG LEU A 106 3.745 0.120 -13.717 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.583 -1.989 -14.221 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.831 -2.194 -12.969 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.113 -2.133 -12.511 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.412 0.187 -14.482 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.861 0.187 -12.790 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.809 1.557 -13.417 1.00 0.00 H new ATOM 851 N LYS A 107 6.047 0.031 -13.360 1.00 0.00 N ATOM 852 CA LYS A 107 6.828 -0.545 -14.442 1.00 0.00 C ATOM 853 C LYS A 107 7.991 -1.347 -13.854 1.00 0.00 C ATOM 854 O LYS A 107 8.311 -2.430 -14.340 1.00 0.00 O ATOM 855 CB LYS A 107 7.268 0.544 -15.424 1.00 0.00 C ATOM 856 CG LYS A 107 7.908 -0.070 -16.670 1.00 0.00 C ATOM 857 CD LYS A 107 7.478 0.680 -17.933 1.00 0.00 C ATOM 858 CE LYS A 107 8.671 1.373 -18.593 1.00 0.00 C ATOM 859 NZ LYS A 107 8.920 2.689 -17.963 1.00 0.00 N ATOM 0 H LYS A 107 5.838 1.024 -13.467 1.00 0.00 H new ATOM 0 HA LYS A 107 6.221 -1.240 -15.022 1.00 0.00 H new ATOM 0 HB2 LYS A 107 6.408 1.148 -15.712 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.978 1.212 -14.937 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.994 -0.041 -16.577 1.00 0.00 H new ATOM 0 HG3 LYS A 107 7.623 -1.119 -16.751 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.023 -0.017 -18.637 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.718 1.419 -17.680 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.558 0.746 -18.503 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.480 1.504 -19.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.102 3.398 -18.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 8.087 2.972 -17.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.747 2.623 -17.335 1.00 0.00 H new ATOM 860 N ILE A 108 8.590 -0.784 -12.815 1.00 0.00 N ATOM 861 CA ILE A 108 9.710 -1.434 -12.155 1.00 0.00 C ATOM 862 C ILE A 108 9.205 -2.657 -11.387 1.00 0.00 C ATOM 863 O ILE A 108 9.802 -3.729 -11.460 1.00 0.00 O ATOM 864 CB ILE A 108 10.474 -0.433 -11.284 1.00 0.00 C ATOM 865 CG1 ILE A 108 10.945 0.766 -12.111 1.00 0.00 C ATOM 866 CG2 ILE A 108 11.631 -1.114 -10.551 1.00 0.00 C ATOM 867 CD1 ILE A 108 11.709 1.765 -11.240 1.00 0.00 C ATOM 0 H ILE A 108 8.321 0.115 -12.414 1.00 0.00 H new ATOM 0 HA ILE A 108 10.428 -1.794 -12.891 1.00 0.00 H new ATOM 0 HB ILE A 108 9.792 -0.052 -10.524 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.585 0.423 -12.924 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.086 1.258 -12.567 1.00 0.00 H new ATOM 0 HG21 ILE A 108 12.157 -0.380 -9.940 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.241 -1.906 -9.912 1.00 0.00 H new ATOM 0 HG23 ILE A 108 12.321 -1.542 -11.278 1.00 0.00 H new ATOM 0 HD11 ILE A 108 12.033 2.607 -11.851 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.059 2.124 -10.442 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.581 1.276 -10.805 1.00 0.00 H new ATOM 868 N ALA A 109 8.110 -2.454 -10.670 1.00 0.00 N ATOM 869 CA ALA A 109 7.518 -3.527 -9.890 1.00 0.00 C ATOM 870 C ALA A 109 7.644 -4.843 -10.661 1.00 0.00 C ATOM 871 O ALA A 109 8.010 -5.868 -10.090 1.00 0.00 O ATOM 872 CB ALA A 109 6.064 -3.179 -9.564 1.00 0.00 C ATOM 0 H ALA A 109 7.617 -1.563 -10.613 1.00 0.00 H new ATOM 0 HA ALA A 109 8.045 -3.648 -8.943 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.620 -3.984 -8.979 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.031 -2.253 -8.990 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.504 -3.052 -10.490 1.00 0.00 H new ATOM 873 N LYS A 110 7.333 -4.769 -11.947 1.00 0.00 N ATOM 874 CA LYS A 110 7.407 -5.942 -12.803 1.00 0.00 C ATOM 875 C LYS A 110 6.050 -6.648 -12.812 1.00 0.00 C ATOM 876 O LYS A 110 5.974 -7.850 -13.062 1.00 0.00 O ATOM 877 CB LYS A 110 8.567 -6.843 -12.376 1.00 0.00 C ATOM 878 CG LYS A 110 9.046 -7.711 -13.543 1.00 0.00 C ATOM 879 CD LYS A 110 10.221 -8.596 -13.123 1.00 0.00 C ATOM 880 CE LYS A 110 11.511 -8.162 -13.823 1.00 0.00 C ATOM 881 NZ LYS A 110 12.167 -9.322 -14.465 1.00 0.00 N ATOM 0 H LYS A 110 7.029 -3.916 -12.417 1.00 0.00 H new ATOM 0 HA LYS A 110 7.621 -5.651 -13.831 1.00 0.00 H new ATOM 0 HB2 LYS A 110 9.392 -6.231 -12.011 1.00 0.00 H new ATOM 0 HB3 LYS A 110 8.252 -7.480 -11.550 1.00 0.00 H new ATOM 0 HG2 LYS A 110 8.225 -8.335 -13.898 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.345 -7.074 -14.375 1.00 0.00 H new ATOM 0 HD2 LYS A 110 10.353 -8.542 -12.042 1.00 0.00 H new ATOM 0 HD3 LYS A 110 10.003 -9.636 -13.366 1.00 0.00 H new ATOM 0 HE2 LYS A 110 11.287 -7.402 -14.572 1.00 0.00 H new ATOM 0 HE3 LYS A 110 12.189 -7.707 -13.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 13.041 -9.010 -14.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 12.398 -10.034 -13.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 11.525 -9.738 -15.169 1.00 0.00 H new ATOM 882 N VAL A 111 5.013 -5.871 -12.534 1.00 0.00 N ATOM 883 CA VAL A 111 3.662 -6.408 -12.507 1.00 0.00 C ATOM 884 C VAL A 111 3.096 -6.423 -13.929 1.00 0.00 C ATOM 885 O VAL A 111 1.886 -6.534 -14.116 1.00 0.00 O ATOM 886 CB VAL A 111 2.801 -5.607 -11.529 1.00 0.00 C ATOM 887 CG1 VAL A 111 3.335 -5.730 -10.101 1.00 0.00 C ATOM 888 CG2 VAL A 111 2.708 -4.140 -11.954 1.00 0.00 C ATOM 0 H VAL A 111 5.081 -4.875 -12.326 1.00 0.00 H new ATOM 0 HA VAL A 111 3.666 -7.437 -12.148 1.00 0.00 H new ATOM 0 HB VAL A 111 1.795 -6.026 -11.548 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.705 -5.151 -9.426 1.00 0.00 H new ATOM 0 HG12 VAL A 111 3.326 -6.777 -9.798 1.00 0.00 H new ATOM 0 HG13 VAL A 111 4.356 -5.350 -10.060 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.090 -3.593 -11.242 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.707 -3.704 -11.978 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.261 -4.076 -12.946 1.00 0.00 H new ATOM 889 N PHE A 112 3.998 -6.310 -14.893 1.00 0.00 N ATOM 890 CA PHE A 112 3.604 -6.309 -16.291 1.00 0.00 C ATOM 891 C PHE A 112 3.986 -7.627 -16.969 1.00 0.00 C ATOM 892 O PHE A 112 5.162 -7.982 -17.025 1.00 0.00 O ATOM 893 CB PHE A 112 4.358 -5.164 -16.968 1.00 0.00 C ATOM 894 CG PHE A 112 3.595 -3.837 -16.979 1.00 0.00 C ATOM 895 CD1 PHE A 112 2.365 -3.765 -17.555 1.00 0.00 C ATOM 896 CD2 PHE A 112 4.146 -2.731 -16.413 1.00 0.00 C ATOM 897 CE1 PHE A 112 1.657 -2.534 -17.566 1.00 0.00 C ATOM 898 CE2 PHE A 112 3.438 -1.499 -16.424 1.00 0.00 C ATOM 899 CZ PHE A 112 2.209 -1.427 -17.000 1.00 0.00 C ATOM 0 H PHE A 112 5.001 -6.218 -14.733 1.00 0.00 H new ATOM 0 HA PHE A 112 2.524 -6.189 -16.373 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.311 -5.019 -16.459 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.585 -5.449 -17.995 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.927 -4.644 -18.004 1.00 0.00 H new ATOM 0 HD2 PHE A 112 5.122 -2.789 -15.955 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.680 -2.477 -18.024 1.00 0.00 H new ATOM 0 HE2 PHE A 112 3.876 -0.620 -15.975 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.671 -0.491 -17.008 1.00 0.00 H new ATOM 900 N ASN A 113 2.970 -8.316 -17.466 1.00 0.00 N ATOM 901 CA ASN A 113 3.183 -9.586 -18.138 1.00 0.00 C ATOM 902 C ASN A 113 4.308 -9.431 -19.164 1.00 0.00 C ATOM 903 O ASN A 113 5.220 -10.255 -19.221 1.00 0.00 O ATOM 904 CB ASN A 113 1.923 -10.036 -18.881 1.00 0.00 C ATOM 905 CG ASN A 113 1.165 -8.836 -19.451 1.00 0.00 C ATOM 906 OD1 ASN A 113 0.144 -8.435 -18.699 1.00 0.00 O flip ATOM 907 ND2 ASN A 113 1.485 -8.308 -20.502 1.00 0.00 N flip ATOM 0 H ASN A 113 1.996 -8.018 -17.417 1.00 0.00 H new ATOM 0 HA ASN A 113 3.439 -10.329 -17.382 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.196 -10.715 -19.689 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.275 -10.591 -18.203 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.280 -8.666 -21.031 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.958 -7.508 -20.852 1.00 0.00 H new