USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 863 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 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= 0.675 (180deg=0.43) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 CYS SG : rot -2:sc= -0.198 USER MOD Single : A 7 TYR OH : rot 121:sc= 2.42 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.915 USER MOD Single : A 11 MET CE :methyl -157:sc= -0.0406 (180deg=-0.212) USER MOD Single : A 14 SER OG : rot -43:sc= 0.821 USER MOD Single : A 15 HIS : no HD1:sc= -0.902 K(o=-0.9,f=-0.28) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -43:sc= 0.429 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.657 USER MOD Single : A 40 ASN : amide:sc= -0.0091 X(o=-0.0091,f=-0.12) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= -0.0118 (180deg=-0.0118) USER MOD Single : A 46 MET CE :methyl -175:sc= 0 (180deg=-0.0476) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 55:sc= 0.656 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 81:sc= 0.0717 USER MOD Single : A 71 ASN : amide:sc= -0.0647 K(o=-0.065,f=-1.7!) USER MOD Single : A 74 LYS NZ :NH3+ 163:sc= -0.0119 (180deg=-0.164) USER MOD Single : A 75 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0136) USER MOD Single : A 77 MET CE :methyl 170:sc=-0.00114 (180deg=-0.0344) USER MOD Single : A 78 SER OG : rot 180:sc=-0.00305 USER MOD Single : A 80 SER OG : rot -62:sc= 1.2 USER MOD Single : A 82 SER OG : rot -112:sc= 0.18 USER MOD Single : A 87 ASN : amide:sc=-0.00409 X(o=-0.0041,f=-0.14) USER MOD Single : A 88 MET CE :methyl 177:sc= -2.3 (180deg=-2.34) USER MOD Single : A 89 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.13) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 102 LYS NZ :NH3+ 161:sc= -0.0238 (180deg=-0.274) USER MOD Single : A 105 LYS NZ :NH3+ -146:sc= -0.113 (180deg=-3.24!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.962 -2.053 -0.940 1.00 0.00 N ATOM 2 CA MET A 1 1.352 -0.729 -0.947 1.00 0.00 C ATOM 3 C MET A 1 0.539 -0.511 -2.219 1.00 0.00 C ATOM 4 O MET A 1 0.753 -1.184 -3.228 1.00 0.00 O ATOM 5 CB MET A 1 2.427 0.353 -0.823 1.00 0.00 C ATOM 6 CG MET A 1 2.856 0.622 0.610 1.00 0.00 C ATOM 7 SD MET A 1 3.915 -0.679 1.273 1.00 0.00 S ATOM 8 CE MET A 1 4.973 0.270 2.364 1.00 0.00 C ATOM 0 H1 MET A 1 2.757 -2.065 -0.270 1.00 0.00 H new ATOM 0 H2 MET A 1 1.255 -2.759 -0.652 1.00 0.00 H new ATOM 0 H3 MET A 1 2.309 -2.280 -1.894 1.00 0.00 H new ATOM 0 HA MET A 1 0.680 -0.662 -0.092 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.299 0.055 -1.405 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.052 1.278 -1.261 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.385 1.574 0.654 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.971 0.720 1.238 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.686 -0.396 2.850 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.513 1.020 1.786 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.365 0.765 3.121 1.00 0.00 H new ATOM 18 N THR A 2 -0.396 0.433 -2.165 1.00 0.00 N ATOM 19 CA THR A 2 -1.242 0.738 -3.312 1.00 0.00 C ATOM 20 C THR A 2 -0.910 2.108 -3.891 1.00 0.00 C ATOM 21 O THR A 2 -0.678 3.066 -3.152 1.00 0.00 O ATOM 22 CB THR A 2 -2.735 0.700 -2.935 1.00 0.00 C ATOM 23 OG1 THR A 2 -3.043 -0.535 -2.279 1.00 0.00 O ATOM 24 CG2 THR A 2 -3.609 0.856 -4.170 1.00 0.00 C ATOM 0 H THR A 2 -0.586 1.000 -1.338 1.00 0.00 H new ATOM 0 HA THR A 2 -1.045 -0.028 -4.062 1.00 0.00 H new ATOM 0 HB THR A 2 -2.938 1.531 -2.259 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.994 -0.551 -2.041 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.659 0.826 -3.879 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.393 1.810 -4.651 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.402 0.044 -4.867 1.00 0.00 H new ATOM 32 N LEU A 3 -0.889 2.196 -5.216 1.00 0.00 N ATOM 33 CA LEU A 3 -0.585 3.451 -5.895 1.00 0.00 C ATOM 34 C LEU A 3 -1.740 3.874 -6.798 1.00 0.00 C ATOM 35 O LEU A 3 -2.360 3.042 -7.461 1.00 0.00 O ATOM 36 CB LEU A 3 0.696 3.312 -6.719 1.00 0.00 C ATOM 37 CG LEU A 3 1.404 4.617 -7.085 1.00 0.00 C ATOM 38 CD1 LEU A 3 2.097 5.208 -5.867 1.00 0.00 C ATOM 39 CD2 LEU A 3 2.403 4.384 -8.209 1.00 0.00 C ATOM 0 H LEU A 3 -1.079 1.413 -5.842 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.439 4.220 -5.136 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.395 2.686 -6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.456 2.782 -7.640 1.00 0.00 H new ATOM 0 HG LEU A 3 0.656 5.329 -7.433 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.595 6.136 -6.147 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.359 5.412 -5.092 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.834 4.500 -5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.898 5.323 -8.457 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.148 3.655 -7.889 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.880 4.006 -9.088 1.00 0.00 H new ATOM 51 N CYS A 4 -2.022 5.172 -6.820 1.00 0.00 N ATOM 52 CA CYS A 4 -3.101 5.707 -7.642 1.00 0.00 C ATOM 53 C CYS A 4 -2.749 7.095 -8.165 1.00 0.00 C ATOM 54 O CYS A 4 -1.856 7.759 -7.640 1.00 0.00 O ATOM 55 CB CYS A 4 -4.401 5.765 -6.839 1.00 0.00 C ATOM 56 SG CYS A 4 -4.992 4.153 -6.273 1.00 0.00 S ATOM 0 H CYS A 4 -1.518 5.874 -6.278 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.239 5.042 -8.495 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -4.252 6.410 -5.973 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -5.174 6.228 -7.452 1.00 0.00 H new ATOM 0 HG CYS A 4 -4.196 3.222 -6.709 1.00 0.00 H new ATOM 62 N ALA A 5 -3.457 7.527 -9.204 1.00 0.00 N ATOM 63 CA ALA A 5 -3.220 8.837 -9.798 1.00 0.00 C ATOM 64 C ALA A 5 -4.458 9.720 -9.693 1.00 0.00 C ATOM 65 O ALA A 5 -5.586 9.236 -9.776 1.00 0.00 O ATOM 66 CB ALA A 5 -2.798 8.688 -11.253 1.00 0.00 C ATOM 0 H ALA A 5 -4.199 6.989 -9.651 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.414 9.319 -9.244 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.624 9.674 -11.684 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.881 8.101 -11.308 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.586 8.182 -11.810 1.00 0.00 H new ATOM 72 N MET A 6 -4.240 11.018 -9.508 1.00 0.00 N ATOM 73 CA MET A 6 -5.340 11.969 -9.392 1.00 0.00 C ATOM 74 C MET A 6 -5.664 12.594 -10.745 1.00 0.00 C ATOM 75 O MET A 6 -4.798 13.188 -11.388 1.00 0.00 O ATOM 76 CB MET A 6 -4.991 13.064 -8.382 1.00 0.00 C ATOM 77 CG MET A 6 -5.131 12.622 -6.934 1.00 0.00 C ATOM 78 SD MET A 6 -6.832 12.707 -6.344 1.00 0.00 S ATOM 79 CE MET A 6 -6.939 11.188 -5.399 1.00 0.00 C ATOM 0 H MET A 6 -3.312 11.435 -9.435 1.00 0.00 H new ATOM 0 HA MET A 6 -6.219 11.428 -9.042 1.00 0.00 H new ATOM 0 HB2 MET A 6 -3.967 13.394 -8.555 1.00 0.00 H new ATOM 0 HB3 MET A 6 -5.636 13.925 -8.555 1.00 0.00 H new ATOM 0 HG2 MET A 6 -4.766 11.600 -6.833 1.00 0.00 H new ATOM 0 HG3 MET A 6 -4.500 13.249 -6.304 1.00 0.00 H new ATOM 0 HE1 MET A 6 -7.936 11.097 -4.969 1.00 0.00 H new ATOM 0 HE2 MET A 6 -6.747 10.338 -6.054 1.00 0.00 H new ATOM 0 HE3 MET A 6 -6.199 11.204 -4.599 1.00 0.00 H new ATOM 89 N TYR A 7 -6.914 12.455 -11.171 1.00 0.00 N ATOM 90 CA TYR A 7 -7.351 13.004 -12.449 1.00 0.00 C ATOM 91 C TYR A 7 -8.355 14.134 -12.242 1.00 0.00 C ATOM 92 O TYR A 7 -9.488 13.904 -11.821 1.00 0.00 O ATOM 93 CB TYR A 7 -7.974 11.906 -13.313 1.00 0.00 C ATOM 94 CG TYR A 7 -7.643 12.031 -14.783 1.00 0.00 C ATOM 95 CD1 TYR A 7 -7.917 13.202 -15.480 1.00 0.00 C ATOM 96 CD2 TYR A 7 -7.056 10.979 -15.475 1.00 0.00 C ATOM 97 CE1 TYR A 7 -7.617 13.320 -16.823 1.00 0.00 C ATOM 98 CE2 TYR A 7 -6.751 11.089 -16.818 1.00 0.00 C ATOM 99 CZ TYR A 7 -7.034 12.262 -17.488 1.00 0.00 C ATOM 100 OH TYR A 7 -6.732 12.376 -18.825 1.00 0.00 O ATOM 0 H TYR A 7 -7.643 11.967 -10.650 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.477 13.408 -12.960 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.633 10.935 -12.954 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.057 11.929 -13.190 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -8.372 14.034 -14.963 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.834 10.059 -14.954 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -7.838 14.237 -17.350 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.294 10.262 -17.341 1.00 0.00 H new ATOM 0 HH TYR A 7 -5.771 12.237 -18.956 1.00 0.00 H new ATOM 110 N ASN A 8 -7.929 15.357 -12.542 1.00 0.00 N ATOM 111 CA ASN A 8 -8.789 16.525 -12.390 1.00 0.00 C ATOM 112 C ASN A 8 -9.431 16.905 -13.720 1.00 0.00 C ATOM 113 O ASN A 8 -8.738 17.227 -14.686 1.00 0.00 O ATOM 114 CB ASN A 8 -7.987 17.707 -11.841 1.00 0.00 C ATOM 115 CG ASN A 8 -8.838 18.647 -11.010 1.00 0.00 C ATOM 116 OD1 ASN A 8 -9.368 19.636 -11.518 1.00 0.00 O ATOM 117 ND2 ASN A 8 -8.972 18.343 -9.724 1.00 0.00 N ATOM 0 H ASN A 8 -6.994 15.565 -12.892 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.581 16.273 -11.684 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.164 17.333 -11.232 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.545 18.259 -12.670 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -9.532 18.939 -9.115 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -8.515 17.513 -9.346 1.00 0.00 H new ATOM 124 N ILE A 9 -10.759 16.866 -13.763 1.00 0.00 N ATOM 125 CA ILE A 9 -11.494 17.208 -14.974 1.00 0.00 C ATOM 126 C ILE A 9 -12.595 18.222 -14.681 1.00 0.00 C ATOM 127 O ILE A 9 -13.423 18.015 -13.794 1.00 0.00 O ATOM 128 CB ILE A 9 -12.120 15.960 -15.624 1.00 0.00 C ATOM 129 CG1 ILE A 9 -12.855 16.342 -16.910 1.00 0.00 C ATOM 130 CG2 ILE A 9 -13.068 15.275 -14.650 1.00 0.00 C ATOM 131 CD1 ILE A 9 -13.494 15.166 -17.614 1.00 0.00 C ATOM 0 H ILE A 9 -11.347 16.601 -12.973 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.775 17.646 -15.666 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.322 15.262 -15.877 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.626 17.076 -16.674 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -12.153 16.824 -17.590 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.503 14.395 -15.124 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.518 14.973 -13.759 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.863 15.966 -14.369 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -13.997 15.512 -18.517 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.726 14.441 -17.882 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.221 14.696 -16.951 1.00 0.00 H new ATOM 143 N SER A 10 -12.599 19.317 -15.433 1.00 0.00 N ATOM 144 CA SER A 10 -13.597 20.365 -15.253 1.00 0.00 C ATOM 145 C SER A 10 -14.167 20.809 -16.597 1.00 0.00 C ATOM 146 O SER A 10 -13.596 21.665 -17.273 1.00 0.00 O ATOM 147 CB SER A 10 -12.985 21.563 -14.525 1.00 0.00 C ATOM 148 OG SER A 10 -13.992 22.408 -13.996 1.00 0.00 O ATOM 0 H SER A 10 -11.922 19.502 -16.173 1.00 0.00 H new ATOM 0 HA SER A 10 -14.409 19.959 -14.650 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.340 21.212 -13.719 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.356 22.128 -15.213 1.00 0.00 H new ATOM 0 HG SER A 10 -13.575 23.165 -13.534 1.00 0.00 H new ATOM 154 N MET A 11 -15.296 20.221 -16.978 1.00 0.00 N ATOM 155 CA MET A 11 -15.944 20.557 -18.240 1.00 0.00 C ATOM 156 C MET A 11 -16.414 22.008 -18.241 1.00 0.00 C ATOM 157 O MET A 11 -16.474 22.652 -17.193 1.00 0.00 O ATOM 158 CB MET A 11 -17.130 19.625 -18.493 1.00 0.00 C ATOM 159 CG MET A 11 -17.440 19.422 -19.968 1.00 0.00 C ATOM 160 SD MET A 11 -18.299 17.869 -20.290 1.00 0.00 S ATOM 161 CE MET A 11 -20.006 18.402 -20.200 1.00 0.00 C ATOM 0 H MET A 11 -15.781 19.510 -16.431 1.00 0.00 H new ATOM 0 HA MET A 11 -15.214 20.430 -19.039 1.00 0.00 H new ATOM 0 HB2 MET A 11 -16.924 18.657 -18.037 1.00 0.00 H new ATOM 0 HB3 MET A 11 -18.012 20.030 -17.997 1.00 0.00 H new ATOM 0 HG2 MET A 11 -18.051 20.251 -20.324 1.00 0.00 H new ATOM 0 HG3 MET A 11 -16.511 19.443 -20.537 1.00 0.00 H new ATOM 0 HE1 MET A 11 -20.642 17.548 -19.969 1.00 0.00 H new ATOM 0 HE2 MET A 11 -20.111 19.155 -19.419 1.00 0.00 H new ATOM 0 HE3 MET A 11 -20.305 18.829 -21.157 1.00 0.00 H new ATOM 171 N ALA A 12 -16.747 22.517 -19.422 1.00 0.00 N ATOM 172 CA ALA A 12 -17.214 23.892 -19.558 1.00 0.00 C ATOM 173 C ALA A 12 -18.347 24.186 -18.581 1.00 0.00 C ATOM 174 O ALA A 12 -19.487 23.775 -18.795 1.00 0.00 O ATOM 175 CB ALA A 12 -17.664 24.158 -20.987 1.00 0.00 C ATOM 0 H ALA A 12 -16.702 21.998 -20.299 1.00 0.00 H new ATOM 0 HA ALA A 12 -16.383 24.557 -19.321 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -18.010 25.188 -21.074 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -16.828 23.998 -21.668 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -18.477 23.479 -21.245 1.00 0.00 H new ATOM 181 N GLY A 13 -18.026 24.900 -17.507 1.00 0.00 N ATOM 182 CA GLY A 13 -19.028 25.236 -16.512 1.00 0.00 C ATOM 183 C GLY A 13 -19.569 24.013 -15.798 1.00 0.00 C ATOM 184 O GLY A 13 -20.782 23.818 -15.718 1.00 0.00 O ATOM 0 H GLY A 13 -17.090 25.252 -17.308 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -18.595 25.918 -15.780 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -19.850 25.765 -16.993 1.00 0.00 H new ATOM 188 N SER A 14 -18.668 23.186 -15.279 1.00 0.00 N ATOM 189 CA SER A 14 -19.061 21.972 -14.573 1.00 0.00 C ATOM 190 C SER A 14 -18.253 21.804 -13.290 1.00 0.00 C ATOM 191 O SER A 14 -18.328 20.769 -12.626 1.00 0.00 O ATOM 192 CB SER A 14 -18.871 20.749 -15.473 1.00 0.00 C ATOM 193 OG SER A 14 -19.334 19.571 -14.836 1.00 0.00 O ATOM 0 H SER A 14 -17.660 23.334 -15.334 1.00 0.00 H new ATOM 0 HA SER A 14 -20.115 22.060 -14.309 1.00 0.00 H new ATOM 0 HB2 SER A 14 -19.409 20.895 -16.409 1.00 0.00 H new ATOM 0 HB3 SER A 14 -17.816 20.639 -15.725 1.00 0.00 H new ATOM 0 HG SER A 14 -19.047 19.572 -13.899 1.00 0.00 H new ATOM 199 N HIS A 15 -17.481 22.830 -12.946 1.00 0.00 N ATOM 200 CA HIS A 15 -16.659 22.798 -11.741 1.00 0.00 C ATOM 201 C HIS A 15 -15.621 21.683 -11.822 1.00 0.00 C ATOM 202 O HIS A 15 -15.745 20.741 -12.605 1.00 0.00 O ATOM 203 CB HIS A 15 -17.537 22.604 -10.504 1.00 0.00 C ATOM 204 CG HIS A 15 -17.863 23.883 -9.795 1.00 0.00 C ATOM 205 ND1 HIS A 15 -18.888 24.719 -10.184 1.00 0.00 N ATOM 206 CD2 HIS A 15 -17.293 24.466 -8.715 1.00 0.00 C ATOM 207 CE1 HIS A 15 -18.933 25.762 -9.375 1.00 0.00 C ATOM 208 NE2 HIS A 15 -17.976 25.632 -8.474 1.00 0.00 N ATOM 0 H HIS A 15 -17.407 23.693 -13.484 1.00 0.00 H new ATOM 0 HA HIS A 15 -16.137 23.752 -11.661 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -18.465 22.115 -10.800 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -17.031 21.933 -9.811 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -16.456 24.085 -8.148 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -19.633 26.582 -9.439 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -17.777 26.291 -7.721 1.00 0.00 H new ATOM 216 N PRO A 16 -14.571 21.790 -10.994 1.00 0.00 N ATOM 217 CA PRO A 16 -13.491 20.800 -10.953 1.00 0.00 C ATOM 218 C PRO A 16 -13.945 19.470 -10.362 1.00 0.00 C ATOM 219 O PRO A 16 -14.537 19.427 -9.283 1.00 0.00 O ATOM 220 CB PRO A 16 -12.443 21.456 -10.050 1.00 0.00 C ATOM 221 CG PRO A 16 -13.217 22.391 -9.188 1.00 0.00 C ATOM 222 CD PRO A 16 -14.358 22.886 -10.033 1.00 0.00 C ATOM 0 HA PRO A 16 -13.123 20.557 -11.950 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.914 20.713 -9.453 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.693 21.987 -10.636 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.584 21.885 -8.295 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.593 23.219 -8.852 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.249 23.074 -9.434 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -14.109 23.820 -10.537 1.00 0.00 H new ATOM 230 N THR A 17 -13.665 18.384 -11.076 1.00 0.00 N ATOM 231 CA THR A 17 -14.045 17.052 -10.622 1.00 0.00 C ATOM 232 C THR A 17 -12.817 16.197 -10.335 1.00 0.00 C ATOM 233 O THR A 17 -12.016 15.921 -11.229 1.00 0.00 O ATOM 234 CB THR A 17 -14.925 16.334 -11.663 1.00 0.00 C ATOM 235 OG1 THR A 17 -16.147 17.055 -11.853 1.00 0.00 O ATOM 236 CG2 THR A 17 -15.233 14.911 -11.223 1.00 0.00 C ATOM 0 H THR A 17 -13.176 18.401 -11.971 1.00 0.00 H new ATOM 0 HA THR A 17 -14.615 17.183 -9.702 1.00 0.00 H new ATOM 0 HB THR A 17 -14.377 16.295 -12.604 1.00 0.00 H new ATOM 0 HG1 THR A 17 -16.700 16.593 -12.517 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.855 14.425 -11.974 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.302 14.356 -11.109 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.763 14.931 -10.271 1.00 0.00 H new ATOM 244 N THR A 18 -12.673 15.777 -9.082 1.00 0.00 N ATOM 245 CA THR A 18 -11.541 14.953 -8.677 1.00 0.00 C ATOM 246 C THR A 18 -11.830 13.474 -8.902 1.00 0.00 C ATOM 247 O THR A 18 -12.609 12.865 -8.168 1.00 0.00 O ATOM 248 CB THR A 18 -11.186 15.175 -7.195 1.00 0.00 C ATOM 249 OG1 THR A 18 -11.440 16.536 -6.829 1.00 0.00 O ATOM 250 CG2 THR A 18 -9.726 14.839 -6.932 1.00 0.00 C ATOM 0 H THR A 18 -13.327 15.994 -8.330 1.00 0.00 H new ATOM 0 HA THR A 18 -10.695 15.253 -9.295 1.00 0.00 H new ATOM 0 HB THR A 18 -11.809 14.514 -6.592 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.213 16.669 -5.885 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.499 15.004 -5.879 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.542 13.795 -7.184 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.090 15.478 -7.544 1.00 0.00 H new ATOM 258 N ILE A 19 -11.197 12.901 -9.921 1.00 0.00 N ATOM 259 CA ILE A 19 -11.386 11.491 -10.241 1.00 0.00 C ATOM 260 C ILE A 19 -10.148 10.676 -9.881 1.00 0.00 C ATOM 261 O ILE A 19 -9.082 10.853 -10.471 1.00 0.00 O ATOM 262 CB ILE A 19 -11.702 11.290 -11.735 1.00 0.00 C ATOM 263 CG1 ILE A 19 -12.771 12.286 -12.190 1.00 0.00 C ATOM 264 CG2 ILE A 19 -12.158 9.862 -11.992 1.00 0.00 C ATOM 265 CD1 ILE A 19 -13.138 12.152 -13.652 1.00 0.00 C ATOM 0 H ILE A 19 -10.550 13.391 -10.538 1.00 0.00 H new ATOM 0 HA ILE A 19 -12.233 11.143 -9.649 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.795 11.470 -12.311 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -13.667 12.147 -11.585 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -12.415 13.299 -12.004 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.378 9.735 -13.052 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.368 9.170 -11.700 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.055 9.656 -11.408 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.901 12.889 -13.905 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.253 12.320 -14.266 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.525 11.150 -13.840 1.00 0.00 H new ATOM 277 N CYS A 20 -10.299 9.781 -8.911 1.00 0.00 N ATOM 278 CA CYS A 20 -9.193 8.936 -8.472 1.00 0.00 C ATOM 279 C CYS A 20 -9.120 7.660 -9.305 1.00 0.00 C ATOM 280 O CYS A 20 -10.091 6.908 -9.395 1.00 0.00 O ATOM 281 CB CYS A 20 -9.349 8.585 -6.992 1.00 0.00 C ATOM 282 SG CYS A 20 -8.057 7.494 -6.352 1.00 0.00 S ATOM 0 H CYS A 20 -11.175 9.621 -8.414 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.266 9.492 -8.610 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -9.353 9.506 -6.410 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -10.318 8.109 -6.843 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.274 7.257 -5.092 1.00 0.00 H new ATOM 288 N VAL A 21 -7.963 7.423 -9.915 1.00 0.00 N ATOM 289 CA VAL A 21 -7.763 6.239 -10.741 1.00 0.00 C ATOM 290 C VAL A 21 -6.595 5.403 -10.230 1.00 0.00 C ATOM 291 O VAL A 21 -5.627 5.935 -9.687 1.00 0.00 O ATOM 292 CB VAL A 21 -7.504 6.618 -12.212 1.00 0.00 C ATOM 293 CG1 VAL A 21 -7.502 5.377 -13.091 1.00 0.00 C ATOM 294 CG2 VAL A 21 -8.541 7.621 -12.693 1.00 0.00 C ATOM 0 H VAL A 21 -7.150 8.036 -9.852 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.680 5.652 -10.680 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.521 7.084 -12.282 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.318 5.665 -14.126 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.718 4.697 -12.758 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.469 4.879 -13.020 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.343 7.878 -13.734 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.536 7.184 -12.610 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.488 8.521 -12.081 1.00 0.00 H new ATOM 304 N VAL A 22 -6.693 4.089 -10.408 1.00 0.00 N ATOM 305 CA VAL A 22 -5.644 3.178 -9.967 1.00 0.00 C ATOM 306 C VAL A 22 -4.366 3.379 -10.773 1.00 0.00 C ATOM 307 O VAL A 22 -4.403 3.863 -11.904 1.00 0.00 O ATOM 308 CB VAL A 22 -6.089 1.708 -10.088 1.00 0.00 C ATOM 309 CG1 VAL A 22 -5.124 0.795 -9.347 1.00 0.00 C ATOM 310 CG2 VAL A 22 -7.507 1.537 -9.566 1.00 0.00 C ATOM 0 H VAL A 22 -7.488 3.632 -10.854 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.448 3.405 -8.919 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.078 1.428 -11.141 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.455 -0.239 -9.444 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.126 0.898 -9.773 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.099 1.071 -8.293 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.805 0.493 -9.659 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.547 1.834 -8.518 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.186 2.161 -10.146 1.00 0.00 H new ATOM 320 N MET A 23 -3.235 3.003 -10.184 1.00 0.00 N ATOM 321 CA MET A 23 -1.945 3.141 -10.849 1.00 0.00 C ATOM 322 C MET A 23 -1.889 2.284 -12.110 1.00 0.00 C ATOM 323 O MET A 23 -1.016 2.468 -12.958 1.00 0.00 O ATOM 324 CB MET A 23 -0.813 2.746 -9.899 1.00 0.00 C ATOM 325 CG MET A 23 -0.955 1.341 -9.334 1.00 0.00 C ATOM 326 SD MET A 23 0.225 0.182 -10.050 1.00 0.00 S ATOM 327 CE MET A 23 1.597 0.348 -8.910 1.00 0.00 C ATOM 0 H MET A 23 -3.186 2.601 -9.248 1.00 0.00 H new ATOM 0 HA MET A 23 -1.822 4.185 -11.135 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.137 2.822 -10.428 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.776 3.458 -9.075 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.817 1.373 -8.253 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.968 0.981 -9.516 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.409 -0.309 -9.220 1.00 0.00 H new ATOM 0 HE2 MET A 23 1.946 1.381 -8.909 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.271 0.074 -7.906 1.00 0.00 H new ATOM 337 N ASP A 24 -2.824 1.348 -12.225 1.00 0.00 N ATOM 338 CA ASP A 24 -2.882 0.463 -13.383 1.00 0.00 C ATOM 339 C ASP A 24 -4.100 0.775 -14.246 1.00 0.00 C ATOM 340 O ASP A 24 -4.349 0.109 -15.251 1.00 0.00 O ATOM 341 CB ASP A 24 -2.921 -0.999 -12.933 1.00 0.00 C ATOM 342 CG ASP A 24 -2.451 -1.950 -14.015 1.00 0.00 C ATOM 343 OD1 ASP A 24 -1.231 -1.994 -14.277 1.00 0.00 O ATOM 344 OD2 ASP A 24 -3.303 -2.651 -14.601 1.00 0.00 O ATOM 0 H ASP A 24 -3.552 1.182 -11.531 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.985 0.628 -13.980 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.295 -1.121 -12.049 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.938 -1.259 -12.641 1.00 0.00 H new ATOM 349 N ARG A 25 -4.856 1.793 -13.847 1.00 0.00 N ATOM 350 CA ARG A 25 -6.050 2.192 -14.583 1.00 0.00 C ATOM 351 C ARG A 25 -5.919 3.623 -15.096 1.00 0.00 C ATOM 352 O ARG A 25 -6.663 4.047 -15.980 1.00 0.00 O ATOM 353 CB ARG A 25 -7.288 2.069 -13.693 1.00 0.00 C ATOM 354 CG ARG A 25 -8.596 2.281 -14.437 1.00 0.00 C ATOM 355 CD ARG A 25 -8.858 1.162 -15.433 1.00 0.00 C ATOM 356 NE ARG A 25 -10.233 1.178 -15.925 1.00 0.00 N ATOM 357 CZ ARG A 25 -10.771 0.193 -16.635 1.00 0.00 C ATOM 358 NH1 ARG A 25 -10.054 -0.882 -16.934 1.00 0.00 N ATOM 359 NH2 ARG A 25 -12.030 0.280 -17.047 1.00 0.00 N ATOM 0 H ARG A 25 -4.663 2.356 -13.019 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.159 1.526 -15.439 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.298 1.081 -13.233 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.218 2.797 -12.884 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.418 2.334 -13.723 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.567 3.236 -14.961 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.171 1.257 -16.274 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -8.653 0.201 -14.961 1.00 0.00 H new ATOM 0 HE ARG A 25 -10.812 1.990 -15.712 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -9.087 -0.954 -16.618 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.470 -1.637 -17.479 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -12.586 1.104 -16.818 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -12.442 -0.477 -17.592 1.00 0.00 H new ATOM 373 N PHE A 26 -4.968 4.363 -14.534 1.00 0.00 N ATOM 374 CA PHE A 26 -4.740 5.746 -14.934 1.00 0.00 C ATOM 375 C PHE A 26 -4.651 5.867 -16.452 1.00 0.00 C ATOM 376 O PHE A 26 -5.072 6.868 -17.033 1.00 0.00 O ATOM 377 CB PHE A 26 -3.458 6.280 -14.292 1.00 0.00 C ATOM 378 CG PHE A 26 -2.204 5.743 -14.922 1.00 0.00 C ATOM 379 CD1 PHE A 26 -1.926 4.386 -14.894 1.00 0.00 C ATOM 380 CD2 PHE A 26 -1.305 6.595 -15.542 1.00 0.00 C ATOM 381 CE1 PHE A 26 -0.773 3.889 -15.472 1.00 0.00 C ATOM 382 CE2 PHE A 26 -0.150 6.104 -16.122 1.00 0.00 C ATOM 383 CZ PHE A 26 0.115 4.749 -16.088 1.00 0.00 C ATOM 0 H PHE A 26 -4.344 4.028 -13.801 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.586 6.341 -14.590 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.453 7.368 -14.361 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.459 6.027 -13.232 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.618 3.709 -14.415 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.509 7.655 -15.573 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.567 2.829 -15.442 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.544 6.779 -16.601 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.015 4.362 -16.542 1.00 0.00 H new ATOM 393 N LEU A 27 -4.101 4.840 -17.090 1.00 0.00 N ATOM 394 CA LEU A 27 -3.955 4.829 -18.541 1.00 0.00 C ATOM 395 C LEU A 27 -5.317 4.770 -19.225 1.00 0.00 C ATOM 396 O LEU A 27 -5.641 5.617 -20.056 1.00 0.00 O ATOM 397 CB LEU A 27 -3.101 3.638 -18.979 1.00 0.00 C ATOM 398 CG LEU A 27 -2.372 3.789 -20.314 1.00 0.00 C ATOM 399 CD1 LEU A 27 -3.312 4.339 -21.376 1.00 0.00 C ATOM 400 CD2 LEU A 27 -1.155 4.690 -20.159 1.00 0.00 C ATOM 0 H LEU A 27 -3.749 4.003 -16.625 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.459 5.753 -18.838 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.360 3.443 -18.204 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.742 2.758 -19.036 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.032 2.804 -20.633 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.776 4.440 -22.320 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.152 3.657 -21.507 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.683 5.315 -21.063 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.649 4.786 -21.119 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.473 5.675 -19.816 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.471 4.255 -19.430 1.00 0.00 H new ATOM 412 N GLU A 28 -6.111 3.766 -18.866 1.00 0.00 N ATOM 413 CA GLU A 28 -7.439 3.599 -19.444 1.00 0.00 C ATOM 414 C GLU A 28 -8.285 4.852 -19.236 1.00 0.00 C ATOM 415 O GLU A 28 -9.004 5.285 -20.136 1.00 0.00 O ATOM 416 CB GLU A 28 -8.141 2.388 -18.825 1.00 0.00 C ATOM 417 CG GLU A 28 -9.475 2.060 -19.474 1.00 0.00 C ATOM 418 CD GLU A 28 -9.333 1.118 -20.654 1.00 0.00 C ATOM 419 OE1 GLU A 28 -9.192 -0.102 -20.424 1.00 0.00 O ATOM 420 OE2 GLU A 28 -9.364 1.599 -21.806 1.00 0.00 O ATOM 0 H GLU A 28 -5.858 3.057 -18.178 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.322 3.434 -20.515 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.486 1.520 -18.902 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.299 2.574 -17.763 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.135 1.610 -18.732 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.950 2.983 -19.806 1.00 0.00 H new ATOM 427 N SER A 29 -8.194 5.429 -18.042 1.00 0.00 N ATOM 428 CA SER A 29 -8.953 6.629 -17.713 1.00 0.00 C ATOM 429 C SER A 29 -8.564 7.786 -18.627 1.00 0.00 C ATOM 430 O SER A 29 -9.423 8.461 -19.194 1.00 0.00 O ATOM 431 CB SER A 29 -8.723 7.019 -16.251 1.00 0.00 C ATOM 432 OG SER A 29 -7.398 7.479 -16.049 1.00 0.00 O ATOM 0 H SER A 29 -7.602 5.084 -17.286 1.00 0.00 H new ATOM 0 HA SER A 29 -10.011 6.412 -17.862 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.430 7.798 -15.963 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.915 6.160 -15.608 1.00 0.00 H new ATOM 0 HG SER A 29 -6.773 6.896 -16.529 1.00 0.00 H new ATOM 438 N PHE A 30 -7.261 8.010 -18.766 1.00 0.00 N ATOM 439 CA PHE A 30 -6.756 9.086 -19.611 1.00 0.00 C ATOM 440 C PHE A 30 -7.212 8.902 -21.056 1.00 0.00 C ATOM 441 O PHE A 30 -7.609 9.860 -21.719 1.00 0.00 O ATOM 442 CB PHE A 30 -5.228 9.136 -19.549 1.00 0.00 C ATOM 443 CG PHE A 30 -4.669 10.525 -19.671 1.00 0.00 C ATOM 444 CD1 PHE A 30 -4.800 11.238 -20.851 1.00 0.00 C ATOM 445 CD2 PHE A 30 -4.013 11.118 -18.604 1.00 0.00 C ATOM 446 CE1 PHE A 30 -4.286 12.516 -20.966 1.00 0.00 C ATOM 447 CE2 PHE A 30 -3.497 12.396 -18.712 1.00 0.00 C ATOM 448 CZ PHE A 30 -3.635 13.096 -19.895 1.00 0.00 C ATOM 0 H PHE A 30 -6.536 7.461 -18.304 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.159 10.028 -19.238 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.896 8.701 -18.606 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.819 8.517 -20.348 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.310 10.790 -21.691 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.904 10.575 -17.677 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.393 13.060 -21.893 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.987 12.846 -17.873 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.234 14.095 -19.982 1.00 0.00 H new ATOM 458 N SER A 31 -7.150 7.665 -21.537 1.00 0.00 N ATOM 459 CA SER A 31 -7.552 7.356 -22.904 1.00 0.00 C ATOM 460 C SER A 31 -9.018 7.709 -23.133 1.00 0.00 C ATOM 461 O SER A 31 -9.360 8.386 -24.102 1.00 0.00 O ATOM 462 CB SER A 31 -7.320 5.873 -23.203 1.00 0.00 C ATOM 463 OG SER A 31 -7.612 5.575 -24.558 1.00 0.00 O ATOM 0 H SER A 31 -6.825 6.860 -21.001 1.00 0.00 H new ATOM 0 HA SER A 31 -6.943 7.956 -23.580 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.284 5.612 -22.985 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.946 5.265 -22.550 1.00 0.00 H new ATOM 0 HG SER A 31 -7.455 4.622 -24.725 1.00 0.00 H new ATOM 469 N GLU A 32 -9.880 7.246 -22.232 1.00 0.00 N ATOM 470 CA GLU A 32 -11.309 7.513 -22.336 1.00 0.00 C ATOM 471 C GLU A 32 -11.601 8.998 -22.142 1.00 0.00 C ATOM 472 O GLU A 32 -12.566 9.530 -22.694 1.00 0.00 O ATOM 473 CB GLU A 32 -12.080 6.691 -21.300 1.00 0.00 C ATOM 474 CG GLU A 32 -12.219 5.224 -21.669 1.00 0.00 C ATOM 475 CD GLU A 32 -13.149 5.003 -22.846 1.00 0.00 C ATOM 476 OE1 GLU A 32 -14.362 5.264 -22.700 1.00 0.00 O ATOM 477 OE2 GLU A 32 -12.665 4.569 -23.912 1.00 0.00 O ATOM 0 H GLU A 32 -9.613 6.685 -21.423 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.635 7.224 -23.335 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.574 6.769 -20.338 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.074 7.121 -21.174 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.236 4.819 -21.907 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.592 4.670 -20.807 1.00 0.00 H new ATOM 484 N LEU A 33 -10.762 9.662 -21.355 1.00 0.00 N ATOM 485 CA LEU A 33 -10.929 11.086 -21.087 1.00 0.00 C ATOM 486 C LEU A 33 -10.714 11.908 -22.354 1.00 0.00 C ATOM 487 O LEU A 33 -11.500 12.803 -22.667 1.00 0.00 O ATOM 488 CB LEU A 33 -9.953 11.539 -20.000 1.00 0.00 C ATOM 489 CG LEU A 33 -10.373 12.765 -19.188 1.00 0.00 C ATOM 490 CD1 LEU A 33 -10.466 13.991 -20.083 1.00 0.00 C ATOM 491 CD2 LEU A 33 -11.700 12.512 -18.488 1.00 0.00 C ATOM 0 H LEU A 33 -9.959 9.237 -20.891 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.950 11.247 -20.740 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.796 10.709 -19.312 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.992 11.750 -20.468 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.614 12.951 -18.428 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.766 14.854 -19.488 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.494 14.184 -20.538 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.204 13.815 -20.865 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.983 13.395 -17.915 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.469 12.300 -19.231 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.600 11.660 -17.816 1.00 0.00 H new ATOM 503 N TYR A 34 -9.646 11.596 -23.080 1.00 0.00 N ATOM 504 CA TYR A 34 -9.328 12.305 -24.313 1.00 0.00 C ATOM 505 C TYR A 34 -10.483 12.219 -25.306 1.00 0.00 C ATOM 506 O TYR A 34 -10.599 13.042 -26.214 1.00 0.00 O ATOM 507 CB TYR A 34 -8.057 11.732 -24.942 1.00 0.00 C ATOM 508 CG TYR A 34 -7.816 12.203 -26.358 1.00 0.00 C ATOM 509 CD1 TYR A 34 -7.788 13.558 -26.666 1.00 0.00 C ATOM 510 CD2 TYR A 34 -7.615 11.293 -27.389 1.00 0.00 C ATOM 511 CE1 TYR A 34 -7.569 13.993 -27.958 1.00 0.00 C ATOM 512 CE2 TYR A 34 -7.394 11.719 -28.685 1.00 0.00 C ATOM 513 CZ TYR A 34 -7.373 13.070 -28.965 1.00 0.00 C ATOM 514 OH TYR A 34 -7.153 13.499 -30.253 1.00 0.00 O ATOM 0 H TYR A 34 -8.987 10.857 -22.836 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.163 13.354 -24.066 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.201 12.007 -24.326 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.117 10.644 -24.936 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.940 14.284 -25.881 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.632 10.235 -27.174 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.551 15.050 -28.179 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.239 10.998 -29.474 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.033 12.724 -30.840 1.00 0.00 H new ATOM 524 N ASP A 35 -11.336 11.217 -25.125 1.00 0.00 N ATOM 525 CA ASP A 35 -12.484 11.022 -26.003 1.00 0.00 C ATOM 526 C ASP A 35 -13.690 11.811 -25.503 1.00 0.00 C ATOM 527 O ASP A 35 -14.202 12.688 -26.199 1.00 0.00 O ATOM 528 CB ASP A 35 -12.835 9.536 -26.097 1.00 0.00 C ATOM 529 CG ASP A 35 -12.417 8.925 -27.420 1.00 0.00 C ATOM 530 OD1 ASP A 35 -11.225 8.584 -27.566 1.00 0.00 O ATOM 531 OD2 ASP A 35 -13.283 8.789 -28.310 1.00 0.00 O ATOM 0 H ASP A 35 -11.254 10.527 -24.378 1.00 0.00 H new ATOM 0 HA ASP A 35 -12.218 11.388 -26.995 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.349 8.999 -25.282 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.910 9.410 -25.966 1.00 0.00 H new ATOM 536 N ILE A 36 -14.139 11.493 -24.293 1.00 0.00 N ATOM 537 CA ILE A 36 -15.284 12.173 -23.701 1.00 0.00 C ATOM 538 C ILE A 36 -15.072 13.683 -23.670 1.00 0.00 C ATOM 539 O ILE A 36 -16.013 14.455 -23.855 1.00 0.00 O ATOM 540 CB ILE A 36 -15.555 11.675 -22.269 1.00 0.00 C ATOM 541 CG1 ILE A 36 -16.797 12.359 -21.694 1.00 0.00 C ATOM 542 CG2 ILE A 36 -14.346 11.929 -21.382 1.00 0.00 C ATOM 543 CD1 ILE A 36 -17.244 11.785 -20.368 1.00 0.00 C ATOM 0 H ILE A 36 -13.727 10.769 -23.704 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.146 11.943 -24.327 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.737 10.601 -22.303 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.591 13.422 -21.570 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.613 12.274 -22.411 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.553 11.572 -20.373 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -13.482 11.400 -21.784 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.135 12.998 -21.352 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -18.129 12.318 -20.021 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.482 10.728 -20.491 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.444 11.894 -19.636 1.00 0.00 H new ATOM 555 N ILE A 37 -13.831 14.096 -23.438 1.00 0.00 N ATOM 556 CA ILE A 37 -13.495 15.513 -23.387 1.00 0.00 C ATOM 557 C ILE A 37 -13.959 16.234 -24.648 1.00 0.00 C ATOM 558 O ILE A 37 -14.261 17.427 -24.618 1.00 0.00 O ATOM 559 CB ILE A 37 -11.980 15.727 -23.215 1.00 0.00 C ATOM 560 CG1 ILE A 37 -11.688 17.179 -22.831 1.00 0.00 C ATOM 561 CG2 ILE A 37 -11.244 15.353 -24.492 1.00 0.00 C ATOM 562 CD1 ILE A 37 -11.742 17.433 -21.341 1.00 0.00 C ATOM 0 H ILE A 37 -13.041 13.469 -23.282 1.00 0.00 H new ATOM 0 HA ILE A 37 -14.013 15.929 -22.522 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.626 15.081 -22.412 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.700 17.453 -23.202 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -12.407 17.829 -23.328 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.174 15.510 -24.355 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.430 14.305 -24.725 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.599 15.976 -25.313 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.525 18.483 -21.143 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -12.737 17.191 -20.966 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.003 16.809 -20.838 1.00 0.00 H new ATOM 574 N ASP A 38 -14.015 15.501 -25.754 1.00 0.00 N ATOM 575 CA ASP A 38 -14.445 16.069 -27.027 1.00 0.00 C ATOM 576 C ASP A 38 -15.945 16.346 -27.019 1.00 0.00 C ATOM 577 O ASP A 38 -16.408 17.322 -27.608 1.00 0.00 O ATOM 578 CB ASP A 38 -14.095 15.124 -28.177 1.00 0.00 C ATOM 579 CG ASP A 38 -14.436 15.710 -29.533 1.00 0.00 C ATOM 580 OD1 ASP A 38 -14.490 16.952 -29.646 1.00 0.00 O ATOM 581 OD2 ASP A 38 -14.647 14.925 -30.481 1.00 0.00 O ATOM 0 H ASP A 38 -13.768 14.512 -25.795 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.919 17.013 -27.171 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.030 14.893 -28.142 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -14.630 14.183 -28.046 1.00 0.00 H new ATOM 586 N GLU A 39 -16.698 15.481 -26.347 1.00 0.00 N ATOM 587 CA GLU A 39 -18.146 15.632 -26.265 1.00 0.00 C ATOM 588 C GLU A 39 -18.529 16.604 -25.153 1.00 0.00 C ATOM 589 O GLU A 39 -17.665 17.195 -24.506 1.00 0.00 O ATOM 590 CB GLU A 39 -18.810 14.275 -26.022 1.00 0.00 C ATOM 591 CG GLU A 39 -18.367 13.197 -26.997 1.00 0.00 C ATOM 592 CD GLU A 39 -18.474 13.640 -28.444 1.00 0.00 C ATOM 593 OE1 GLU A 39 -19.571 13.511 -29.025 1.00 0.00 O ATOM 594 OE2 GLU A 39 -17.459 14.116 -28.995 1.00 0.00 O ATOM 0 H GLU A 39 -16.330 14.669 -25.852 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.498 16.036 -27.214 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -18.588 13.948 -25.006 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -19.892 14.392 -26.090 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -17.335 12.919 -26.781 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -18.976 12.305 -26.848 1.00 0.00 H new ATOM 601 N ASN A 40 -19.831 16.764 -24.937 1.00 0.00 N ATOM 602 CA ASN A 40 -20.329 17.665 -23.904 1.00 0.00 C ATOM 603 C ASN A 40 -21.379 16.974 -23.040 1.00 0.00 C ATOM 604 O ASN A 40 -22.282 17.619 -22.507 1.00 0.00 O ATOM 605 CB ASN A 40 -20.923 18.924 -24.539 1.00 0.00 C ATOM 606 CG ASN A 40 -19.932 19.643 -25.433 1.00 0.00 C ATOM 607 OD1 ASN A 40 -18.772 19.832 -25.067 1.00 0.00 O ATOM 608 ND2 ASN A 40 -20.386 20.048 -26.614 1.00 0.00 N ATOM 0 H ASN A 40 -20.560 16.282 -25.463 1.00 0.00 H new ATOM 0 HA ASN A 40 -19.490 17.948 -23.268 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -21.804 18.653 -25.122 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -21.257 19.601 -23.753 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -19.765 20.537 -27.259 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -21.356 19.870 -26.876 1.00 0.00 H new ATOM 615 N ASP A 41 -21.254 15.658 -22.905 1.00 0.00 N ATOM 616 CA ASP A 41 -22.191 14.879 -22.104 1.00 0.00 C ATOM 617 C ASP A 41 -22.030 15.193 -20.620 1.00 0.00 C ATOM 618 O ASP A 41 -21.037 14.816 -19.998 1.00 0.00 O ATOM 619 CB ASP A 41 -21.981 13.383 -22.347 1.00 0.00 C ATOM 620 CG ASP A 41 -21.653 13.072 -23.794 1.00 0.00 C ATOM 621 OD1 ASP A 41 -22.283 13.673 -24.688 1.00 0.00 O ATOM 622 OD2 ASP A 41 -20.764 12.227 -24.031 1.00 0.00 O ATOM 0 H ASP A 41 -20.513 15.109 -23.340 1.00 0.00 H new ATOM 0 HA ASP A 41 -23.202 15.150 -22.406 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -21.173 13.024 -21.709 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -22.881 12.841 -22.057 1.00 0.00 H new ATOM 627 N THR A 42 -23.014 15.889 -20.058 1.00 0.00 N ATOM 628 CA THR A 42 -22.981 16.257 -18.648 1.00 0.00 C ATOM 629 C THR A 42 -23.522 15.132 -17.774 1.00 0.00 C ATOM 630 O THR A 42 -22.845 14.664 -16.858 1.00 0.00 O ATOM 631 CB THR A 42 -23.797 17.536 -18.382 1.00 0.00 C ATOM 632 OG1 THR A 42 -23.637 18.454 -19.470 1.00 0.00 O ATOM 633 CG2 THR A 42 -23.357 18.198 -17.085 1.00 0.00 C ATOM 0 H THR A 42 -23.843 16.209 -20.558 1.00 0.00 H new ATOM 0 HA THR A 42 -21.937 16.441 -18.394 1.00 0.00 H new ATOM 0 HB THR A 42 -24.847 17.259 -18.292 1.00 0.00 H new ATOM 0 HG1 THR A 42 -24.160 19.264 -19.294 1.00 0.00 H new ATOM 0 HG21 THR A 42 -23.947 19.099 -16.918 1.00 0.00 H new ATOM 0 HG22 THR A 42 -23.506 17.507 -16.255 1.00 0.00 H new ATOM 0 HG23 THR A 42 -22.302 18.463 -17.151 1.00 0.00 H new ATOM 641 N ASP A 43 -24.745 14.701 -18.062 1.00 0.00 N ATOM 642 CA ASP A 43 -25.377 13.628 -17.302 1.00 0.00 C ATOM 643 C ASP A 43 -24.522 12.365 -17.332 1.00 0.00 C ATOM 644 O ASP A 43 -24.605 11.525 -16.436 1.00 0.00 O ATOM 645 CB ASP A 43 -26.769 13.331 -17.860 1.00 0.00 C ATOM 646 CG ASP A 43 -27.459 12.200 -17.123 1.00 0.00 C ATOM 647 OD1 ASP A 43 -27.754 12.367 -15.920 1.00 0.00 O ATOM 648 OD2 ASP A 43 -27.704 11.147 -17.748 1.00 0.00 O ATOM 0 H ASP A 43 -25.319 15.078 -18.816 1.00 0.00 H new ATOM 0 HA ASP A 43 -25.472 13.956 -16.267 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -27.382 14.230 -17.796 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -26.687 13.076 -18.916 1.00 0.00 H new ATOM 653 N VAL A 44 -23.702 12.236 -18.370 1.00 0.00 N ATOM 654 CA VAL A 44 -22.832 11.076 -18.518 1.00 0.00 C ATOM 655 C VAL A 44 -21.546 11.247 -17.718 1.00 0.00 C ATOM 656 O VAL A 44 -20.864 10.272 -17.404 1.00 0.00 O ATOM 657 CB VAL A 44 -22.475 10.826 -19.996 1.00 0.00 C ATOM 658 CG1 VAL A 44 -21.631 9.569 -20.136 1.00 0.00 C ATOM 659 CG2 VAL A 44 -23.737 10.728 -20.839 1.00 0.00 C ATOM 0 H VAL A 44 -23.622 12.921 -19.121 1.00 0.00 H new ATOM 0 HA VAL A 44 -23.383 10.217 -18.135 1.00 0.00 H new ATOM 0 HB VAL A 44 -21.888 11.670 -20.358 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -21.389 9.409 -21.187 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -20.710 9.684 -19.565 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -22.189 8.712 -19.757 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -23.466 10.551 -21.880 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -24.352 9.903 -20.479 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -24.298 11.659 -20.763 1.00 0.00 H new ATOM 669 N MET A 45 -21.221 12.493 -17.390 1.00 0.00 N ATOM 670 CA MET A 45 -20.017 12.793 -16.625 1.00 0.00 C ATOM 671 C MET A 45 -19.967 11.966 -15.344 1.00 0.00 C ATOM 672 O MET A 45 -18.972 11.299 -15.063 1.00 0.00 O ATOM 673 CB MET A 45 -19.960 14.283 -16.285 1.00 0.00 C ATOM 674 CG MET A 45 -18.740 14.674 -15.466 1.00 0.00 C ATOM 675 SD MET A 45 -18.238 16.384 -15.739 1.00 0.00 S ATOM 676 CE MET A 45 -16.511 16.166 -16.159 1.00 0.00 C ATOM 0 H MET A 45 -21.775 13.311 -17.642 1.00 0.00 H new ATOM 0 HA MET A 45 -19.154 12.535 -17.238 1.00 0.00 H new ATOM 0 HB2 MET A 45 -19.966 14.859 -17.210 1.00 0.00 H new ATOM 0 HB3 MET A 45 -20.860 14.556 -15.734 1.00 0.00 H new ATOM 0 HG2 MET A 45 -18.956 14.527 -14.408 1.00 0.00 H new ATOM 0 HG3 MET A 45 -17.911 14.012 -15.717 1.00 0.00 H new ATOM 0 HE1 MET A 45 -16.059 17.138 -16.356 1.00 0.00 H new ATOM 0 HE2 MET A 45 -15.992 15.687 -15.329 1.00 0.00 H new ATOM 0 HE3 MET A 45 -16.429 15.540 -17.048 1.00 0.00 H new ATOM 686 N MET A 46 -21.048 12.014 -14.571 1.00 0.00 N ATOM 687 CA MET A 46 -21.127 11.268 -13.321 1.00 0.00 C ATOM 688 C MET A 46 -20.880 9.782 -13.558 1.00 0.00 C ATOM 689 O MET A 46 -20.204 9.121 -12.769 1.00 0.00 O ATOM 690 CB MET A 46 -22.494 11.472 -12.666 1.00 0.00 C ATOM 691 CG MET A 46 -23.660 11.072 -13.556 1.00 0.00 C ATOM 692 SD MET A 46 -24.312 9.440 -13.153 1.00 0.00 S ATOM 693 CE MET A 46 -25.561 9.252 -14.424 1.00 0.00 C ATOM 0 H MET A 46 -21.881 12.562 -14.789 1.00 0.00 H new ATOM 0 HA MET A 46 -20.353 11.644 -12.653 1.00 0.00 H new ATOM 0 HB2 MET A 46 -22.536 10.893 -11.744 1.00 0.00 H new ATOM 0 HB3 MET A 46 -22.602 12.521 -12.389 1.00 0.00 H new ATOM 0 HG2 MET A 46 -24.456 11.811 -13.460 1.00 0.00 H new ATOM 0 HG3 MET A 46 -23.338 11.084 -14.597 1.00 0.00 H new ATOM 0 HE1 MET A 46 -26.115 8.329 -14.256 1.00 0.00 H new ATOM 0 HE2 MET A 46 -26.247 10.099 -14.388 1.00 0.00 H new ATOM 0 HE3 MET A 46 -25.082 9.214 -15.402 1.00 0.00 H new ATOM 703 N ASP A 47 -21.432 9.262 -14.649 1.00 0.00 N ATOM 704 CA ASP A 47 -21.271 7.853 -14.990 1.00 0.00 C ATOM 705 C ASP A 47 -19.801 7.512 -15.212 1.00 0.00 C ATOM 706 O ASP A 47 -19.319 6.472 -14.762 1.00 0.00 O ATOM 707 CB ASP A 47 -22.081 7.514 -16.242 1.00 0.00 C ATOM 708 CG ASP A 47 -22.205 6.020 -16.465 1.00 0.00 C ATOM 709 OD1 ASP A 47 -21.663 5.250 -15.643 1.00 0.00 O ATOM 710 OD2 ASP A 47 -22.844 5.619 -17.460 1.00 0.00 O ATOM 0 H ASP A 47 -21.995 9.795 -15.312 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.641 7.258 -14.155 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -23.077 7.949 -16.156 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -21.608 7.970 -17.112 1.00 0.00 H new ATOM 715 N PHE A 48 -19.093 8.395 -15.909 1.00 0.00 N ATOM 716 CA PHE A 48 -17.678 8.186 -16.193 1.00 0.00 C ATOM 717 C PHE A 48 -16.853 8.236 -14.910 1.00 0.00 C ATOM 718 O PHE A 48 -16.027 7.359 -14.656 1.00 0.00 O ATOM 719 CB PHE A 48 -17.173 9.242 -17.179 1.00 0.00 C ATOM 720 CG PHE A 48 -15.679 9.251 -17.334 1.00 0.00 C ATOM 721 CD1 PHE A 48 -15.052 8.353 -18.184 1.00 0.00 C ATOM 722 CD2 PHE A 48 -14.901 10.157 -16.631 1.00 0.00 C ATOM 723 CE1 PHE A 48 -13.678 8.359 -18.329 1.00 0.00 C ATOM 724 CE2 PHE A 48 -13.527 10.167 -16.773 1.00 0.00 C ATOM 725 CZ PHE A 48 -12.914 9.267 -17.622 1.00 0.00 C ATOM 0 H PHE A 48 -19.476 9.261 -16.287 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.564 7.198 -16.639 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -17.630 9.067 -18.153 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -17.502 10.226 -16.845 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -15.644 7.641 -18.739 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -15.374 10.863 -15.965 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -13.202 7.654 -18.995 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -12.932 10.879 -16.220 1.00 0.00 H new ATOM 0 HZ PHE A 48 -11.840 9.273 -17.733 1.00 0.00 H new ATOM 735 N ILE A 49 -17.083 9.269 -14.106 1.00 0.00 N ATOM 736 CA ILE A 49 -16.362 9.433 -12.850 1.00 0.00 C ATOM 737 C ILE A 49 -16.522 8.206 -11.959 1.00 0.00 C ATOM 738 O ILE A 49 -15.548 7.693 -11.410 1.00 0.00 O ATOM 739 CB ILE A 49 -16.845 10.678 -12.082 1.00 0.00 C ATOM 740 CG1 ILE A 49 -16.640 11.936 -12.927 1.00 0.00 C ATOM 741 CG2 ILE A 49 -16.111 10.799 -10.755 1.00 0.00 C ATOM 742 CD1 ILE A 49 -17.736 12.965 -12.755 1.00 0.00 C ATOM 0 H ILE A 49 -17.762 10.004 -14.302 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.310 9.559 -13.105 1.00 0.00 H new ATOM 0 HB ILE A 49 -17.910 10.570 -11.877 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -15.684 12.388 -12.664 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -16.581 11.652 -13.978 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.463 11.683 -10.224 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -16.303 9.912 -10.151 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.040 10.888 -10.938 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -17.525 13.830 -13.384 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -18.692 12.530 -13.045 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.781 13.277 -11.712 1.00 0.00 H new ATOM 754 N SER A 50 -17.759 7.739 -11.822 1.00 0.00 N ATOM 755 CA SER A 50 -18.049 6.573 -10.996 1.00 0.00 C ATOM 756 C SER A 50 -17.584 5.292 -11.683 1.00 0.00 C ATOM 757 O SER A 50 -17.269 4.301 -11.024 1.00 0.00 O ATOM 758 CB SER A 50 -19.548 6.491 -10.699 1.00 0.00 C ATOM 759 OG SER A 50 -19.821 5.502 -9.722 1.00 0.00 O ATOM 0 H SER A 50 -18.576 8.150 -12.272 1.00 0.00 H new ATOM 0 HA SER A 50 -17.506 6.679 -10.057 1.00 0.00 H new ATOM 0 HB2 SER A 50 -19.906 7.460 -10.350 1.00 0.00 H new ATOM 0 HB3 SER A 50 -20.091 6.261 -11.615 1.00 0.00 H new ATOM 0 HG SER A 50 -20.785 5.470 -9.549 1.00 0.00 H new ATOM 765 N ARG A 51 -17.545 5.321 -13.011 1.00 0.00 N ATOM 766 CA ARG A 51 -17.121 4.163 -13.788 1.00 0.00 C ATOM 767 C ARG A 51 -15.650 3.847 -13.534 1.00 0.00 C ATOM 768 O ARG A 51 -15.286 2.697 -13.285 1.00 0.00 O ATOM 769 CB ARG A 51 -17.349 4.412 -15.280 1.00 0.00 C ATOM 770 CG ARG A 51 -16.748 3.341 -16.176 1.00 0.00 C ATOM 771 CD ARG A 51 -17.311 1.965 -15.852 1.00 0.00 C ATOM 772 NE ARG A 51 -16.948 0.975 -16.863 1.00 0.00 N ATOM 773 CZ ARG A 51 -17.076 -0.336 -16.686 1.00 0.00 C ATOM 774 NH1 ARG A 51 -17.556 -0.810 -15.545 1.00 0.00 N ATOM 775 NH2 ARG A 51 -16.725 -1.174 -17.652 1.00 0.00 N ATOM 0 H ARG A 51 -17.802 6.134 -13.571 1.00 0.00 H new ATOM 0 HA ARG A 51 -17.719 3.307 -13.473 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -18.421 4.473 -15.470 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -16.922 5.379 -15.548 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -16.951 3.582 -17.220 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -15.665 3.330 -16.056 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -16.942 1.642 -14.879 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -18.397 2.026 -15.777 1.00 0.00 H new ATOM 0 HE ARG A 51 -16.576 1.308 -17.753 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -17.828 -0.168 -14.800 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -17.653 -1.817 -15.412 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -16.356 -0.813 -18.532 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -16.824 -2.180 -17.515 1.00 0.00 H new ATOM 789 N PHE A 52 -14.809 4.874 -13.598 1.00 0.00 N ATOM 790 CA PHE A 52 -13.378 4.705 -13.376 1.00 0.00 C ATOM 791 C PHE A 52 -13.039 4.833 -11.894 1.00 0.00 C ATOM 792 O PHE A 52 -12.442 3.933 -11.303 1.00 0.00 O ATOM 793 CB PHE A 52 -12.590 5.740 -14.182 1.00 0.00 C ATOM 794 CG PHE A 52 -12.285 5.302 -15.586 1.00 0.00 C ATOM 795 CD1 PHE A 52 -11.198 4.484 -15.849 1.00 0.00 C ATOM 796 CD2 PHE A 52 -13.086 5.706 -16.642 1.00 0.00 C ATOM 797 CE1 PHE A 52 -10.915 4.080 -17.140 1.00 0.00 C ATOM 798 CE2 PHE A 52 -12.808 5.305 -17.935 1.00 0.00 C ATOM 799 CZ PHE A 52 -11.722 4.489 -18.184 1.00 0.00 C ATOM 0 H PHE A 52 -15.094 5.832 -13.802 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.099 3.705 -13.710 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.157 6.671 -14.215 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.654 5.955 -13.666 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.565 4.159 -15.037 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.938 6.342 -16.452 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.063 3.445 -17.333 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.439 5.629 -18.749 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.504 4.171 -19.193 1.00 0.00 H new ATOM 809 N ALA A 53 -13.424 5.957 -11.300 1.00 0.00 N ATOM 810 CA ALA A 53 -13.162 6.203 -9.887 1.00 0.00 C ATOM 811 C ALA A 53 -14.097 5.382 -9.005 1.00 0.00 C ATOM 812 O ALA A 53 -15.211 5.047 -9.408 1.00 0.00 O ATOM 813 CB ALA A 53 -13.305 7.685 -9.574 1.00 0.00 C ATOM 0 H ALA A 53 -13.919 6.712 -11.775 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.139 5.895 -9.673 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.107 7.854 -8.516 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.593 8.254 -10.172 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.318 8.011 -9.810 1.00 0.00 H new ATOM 819 N ARG A 54 -13.636 5.060 -7.801 1.00 0.00 N ATOM 820 CA ARG A 54 -14.430 4.276 -6.863 1.00 0.00 C ATOM 821 C ARG A 54 -15.035 5.169 -5.784 1.00 0.00 C ATOM 822 O ARG A 54 -14.436 6.166 -5.379 1.00 0.00 O ATOM 823 CB ARG A 54 -13.569 3.189 -6.217 1.00 0.00 C ATOM 824 CG ARG A 54 -14.378 2.092 -5.544 1.00 0.00 C ATOM 825 CD ARG A 54 -13.479 1.100 -4.823 1.00 0.00 C ATOM 826 NE ARG A 54 -14.178 0.417 -3.737 1.00 0.00 N ATOM 827 CZ ARG A 54 -13.583 -0.415 -2.889 1.00 0.00 C ATOM 828 NH1 ARG A 54 -12.286 -0.666 -3.001 1.00 0.00 N ATOM 829 NH2 ARG A 54 -14.287 -0.998 -1.927 1.00 0.00 N ATOM 0 H ARG A 54 -12.716 5.330 -7.452 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.242 3.805 -7.418 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.930 2.742 -6.979 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.911 3.649 -5.479 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.075 2.536 -4.833 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.975 1.568 -6.291 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.108 0.363 -5.535 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.610 1.623 -4.423 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.177 0.588 -3.624 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.742 -0.220 -3.740 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.832 -1.305 -2.348 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.285 -0.807 -1.838 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.830 -1.637 -1.276 1.00 0.00 H new ATOM 843 N THR A 55 -16.227 4.805 -5.321 1.00 0.00 N ATOM 844 CA THR A 55 -16.914 5.574 -4.290 1.00 0.00 C ATOM 845 C THR A 55 -16.689 4.966 -2.910 1.00 0.00 C ATOM 846 O THR A 55 -17.563 4.286 -2.371 1.00 0.00 O ATOM 847 CB THR A 55 -18.427 5.653 -4.564 1.00 0.00 C ATOM 848 OG1 THR A 55 -18.980 4.334 -4.646 1.00 0.00 O ATOM 849 CG2 THR A 55 -18.705 6.407 -5.855 1.00 0.00 C ATOM 0 H THR A 55 -16.737 3.983 -5.644 1.00 0.00 H new ATOM 0 HA THR A 55 -16.495 6.580 -4.313 1.00 0.00 H new ATOM 0 HB THR A 55 -18.895 6.192 -3.740 1.00 0.00 H new ATOM 0 HG1 THR A 55 -18.755 3.834 -3.834 1.00 0.00 H new ATOM 0 HG21 THR A 55 -19.780 6.450 -6.027 1.00 0.00 H new ATOM 0 HG22 THR A 55 -18.310 7.420 -5.777 1.00 0.00 H new ATOM 0 HG23 THR A 55 -18.224 5.893 -6.687 1.00 0.00 H new ATOM 857 N ASP A 56 -15.514 5.216 -2.343 1.00 0.00 N ATOM 858 CA ASP A 56 -15.176 4.695 -1.024 1.00 0.00 C ATOM 859 C ASP A 56 -14.086 5.539 -0.369 1.00 0.00 C ATOM 860 O ASP A 56 -13.470 6.384 -1.018 1.00 0.00 O ATOM 861 CB ASP A 56 -14.717 3.240 -1.129 1.00 0.00 C ATOM 862 CG ASP A 56 -15.874 2.282 -1.335 1.00 0.00 C ATOM 863 OD1 ASP A 56 -16.469 1.845 -0.327 1.00 0.00 O ATOM 864 OD2 ASP A 56 -16.184 1.968 -2.503 1.00 0.00 O ATOM 0 H ASP A 56 -14.780 5.776 -2.776 1.00 0.00 H new ATOM 0 HA ASP A 56 -16.070 4.742 -0.402 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.016 3.142 -1.958 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.179 2.965 -0.222 1.00 0.00 H new ATOM 869 N GLU A 57 -13.855 5.303 0.918 1.00 0.00 N ATOM 870 CA GLU A 57 -12.840 6.043 1.660 1.00 0.00 C ATOM 871 C GLU A 57 -11.451 5.791 1.080 1.00 0.00 C ATOM 872 O GLU A 57 -11.189 4.734 0.506 1.00 0.00 O ATOM 873 CB GLU A 57 -12.868 5.648 3.138 1.00 0.00 C ATOM 874 CG GLU A 57 -14.014 6.274 3.914 1.00 0.00 C ATOM 875 CD GLU A 57 -15.323 5.534 3.719 1.00 0.00 C ATOM 876 OE1 GLU A 57 -15.309 4.285 3.752 1.00 0.00 O ATOM 877 OE2 GLU A 57 -16.362 6.202 3.535 1.00 0.00 O ATOM 0 H GLU A 57 -14.356 4.606 1.469 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.064 7.106 1.572 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.939 4.563 3.214 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.925 5.939 3.601 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.764 6.289 4.975 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -14.137 7.311 3.600 1.00 0.00 H new ATOM 884 N ILE A 58 -10.566 6.770 1.235 1.00 0.00 N ATOM 885 CA ILE A 58 -9.204 6.655 0.728 1.00 0.00 C ATOM 886 C ILE A 58 -8.193 6.631 1.870 1.00 0.00 C ATOM 887 O ILE A 58 -7.968 7.642 2.534 1.00 0.00 O ATOM 888 CB ILE A 58 -8.858 7.814 -0.225 1.00 0.00 C ATOM 889 CG1 ILE A 58 -9.820 7.829 -1.415 1.00 0.00 C ATOM 890 CG2 ILE A 58 -7.418 7.697 -0.701 1.00 0.00 C ATOM 891 CD1 ILE A 58 -9.840 9.146 -2.159 1.00 0.00 C ATOM 0 H ILE A 58 -10.768 7.651 1.707 1.00 0.00 H new ATOM 0 HA ILE A 58 -9.150 5.715 0.178 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.965 8.754 0.316 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -9.542 7.034 -2.107 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -10.826 7.605 -1.061 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.189 8.523 -1.374 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -6.747 7.731 0.157 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.285 6.752 -1.228 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.543 9.084 -2.989 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.148 9.942 -1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.843 9.362 -2.543 1.00 0.00 H new ATOM 903 N MET A 59 -7.586 5.470 2.090 1.00 0.00 N ATOM 904 CA MET A 59 -6.595 5.315 3.149 1.00 0.00 C ATOM 905 C MET A 59 -5.298 6.033 2.790 1.00 0.00 C ATOM 906 O MET A 59 -5.030 6.336 1.628 1.00 0.00 O ATOM 907 CB MET A 59 -6.318 3.832 3.404 1.00 0.00 C ATOM 908 CG MET A 59 -7.244 3.209 4.436 1.00 0.00 C ATOM 909 SD MET A 59 -8.855 2.776 3.752 1.00 0.00 S ATOM 910 CE MET A 59 -8.482 1.205 2.977 1.00 0.00 C ATOM 0 H MET A 59 -7.762 4.623 1.550 1.00 0.00 H new ATOM 0 HA MET A 59 -6.997 5.763 4.057 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.414 3.286 2.465 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.286 3.715 3.736 1.00 0.00 H new ATOM 0 HG2 MET A 59 -6.775 2.314 4.846 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.380 3.905 5.264 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.382 0.808 2.508 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.711 1.347 2.220 1.00 0.00 H new ATOM 0 HE3 MET A 59 -8.126 0.503 3.731 1.00 0.00 H new ATOM 920 N PRO A 60 -4.474 6.313 3.811 1.00 0.00 N ATOM 921 CA PRO A 60 -3.191 6.998 3.627 1.00 0.00 C ATOM 922 C PRO A 60 -2.166 6.127 2.909 1.00 0.00 C ATOM 923 O PRO A 60 -1.290 6.634 2.208 1.00 0.00 O ATOM 924 CB PRO A 60 -2.736 7.289 5.059 1.00 0.00 C ATOM 925 CG PRO A 60 -3.409 6.251 5.889 1.00 0.00 C ATOM 926 CD PRO A 60 -4.730 5.981 5.222 1.00 0.00 C ATOM 0 HA PRO A 60 -3.290 7.889 3.007 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -1.652 7.227 5.150 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.025 8.293 5.370 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -2.807 5.344 5.944 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.552 6.601 6.911 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.035 4.941 5.341 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -5.525 6.597 5.642 1.00 0.00 H new ATOM 934 N GLU A 61 -2.282 4.815 3.087 1.00 0.00 N ATOM 935 CA GLU A 61 -1.364 3.875 2.455 1.00 0.00 C ATOM 936 C GLU A 61 -1.263 4.137 0.956 1.00 0.00 C ATOM 937 O GLU A 61 -0.228 3.886 0.339 1.00 0.00 O ATOM 938 CB GLU A 61 -1.823 2.436 2.703 1.00 0.00 C ATOM 939 CG GLU A 61 -1.850 2.050 4.172 1.00 0.00 C ATOM 940 CD GLU A 61 -0.522 2.292 4.864 1.00 0.00 C ATOM 941 OE1 GLU A 61 0.451 1.578 4.544 1.00 0.00 O ATOM 942 OE2 GLU A 61 -0.457 3.194 5.725 1.00 0.00 O ATOM 0 H GLU A 61 -3.002 4.379 3.663 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.378 4.016 2.898 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.820 2.304 2.283 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.160 1.755 2.169 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.629 2.620 4.679 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.116 0.997 4.262 1.00 0.00 H new ATOM 949 N ASP A 62 -2.346 4.643 0.376 1.00 0.00 N ATOM 950 CA ASP A 62 -2.380 4.941 -1.052 1.00 0.00 C ATOM 951 C ASP A 62 -1.473 6.122 -1.383 1.00 0.00 C ATOM 952 O ASP A 62 -1.613 7.205 -0.813 1.00 0.00 O ATOM 953 CB ASP A 62 -3.812 5.240 -1.498 1.00 0.00 C ATOM 954 CG ASP A 62 -4.676 3.996 -1.543 1.00 0.00 C ATOM 955 OD1 ASP A 62 -5.014 3.468 -0.462 1.00 0.00 O ATOM 956 OD2 ASP A 62 -5.015 3.548 -2.659 1.00 0.00 O ATOM 0 H ASP A 62 -3.212 4.855 0.872 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.016 4.066 -1.590 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.258 5.964 -0.816 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.793 5.702 -2.485 1.00 0.00 H new ATOM 961 N LYS A 63 -0.543 5.907 -2.307 1.00 0.00 N ATOM 962 CA LYS A 63 0.387 6.953 -2.715 1.00 0.00 C ATOM 963 C LYS A 63 0.022 7.500 -4.091 1.00 0.00 C ATOM 964 O LYS A 63 -0.498 6.775 -4.941 1.00 0.00 O ATOM 965 CB LYS A 63 1.818 6.413 -2.733 1.00 0.00 C ATOM 966 CG LYS A 63 2.822 7.369 -3.353 1.00 0.00 C ATOM 967 CD LYS A 63 4.236 6.816 -3.284 1.00 0.00 C ATOM 968 CE LYS A 63 5.242 7.782 -3.890 1.00 0.00 C ATOM 969 NZ LYS A 63 5.422 7.553 -5.350 1.00 0.00 N ATOM 0 H LYS A 63 -0.413 5.017 -2.788 1.00 0.00 H new ATOM 0 HA LYS A 63 0.320 7.765 -1.991 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.126 6.189 -1.712 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.836 5.473 -3.285 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.554 7.555 -4.393 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.780 8.328 -2.836 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.500 6.618 -2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.281 5.863 -3.812 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.909 8.806 -3.722 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.201 7.672 -3.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.115 8.231 -5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.764 6.584 -5.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.512 7.683 -5.837 1.00 0.00 H new ATOM 983 N THR A 64 0.298 8.782 -4.307 1.00 0.00 N ATOM 984 CA THR A 64 -0.002 9.425 -5.580 1.00 0.00 C ATOM 985 C THR A 64 1.106 9.173 -6.597 1.00 0.00 C ATOM 986 O THR A 64 2.290 9.214 -6.263 1.00 0.00 O ATOM 987 CB THR A 64 -0.192 10.944 -5.411 1.00 0.00 C ATOM 988 OG1 THR A 64 -0.092 11.300 -4.027 1.00 0.00 O ATOM 989 CG2 THR A 64 -1.542 11.385 -5.956 1.00 0.00 C ATOM 0 H THR A 64 0.729 9.396 -3.616 1.00 0.00 H new ATOM 0 HA THR A 64 -0.932 8.988 -5.944 1.00 0.00 H new ATOM 0 HB THR A 64 0.592 11.450 -5.974 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.852 11.364 -3.773 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.653 12.461 -5.825 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.604 11.140 -7.016 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.338 10.870 -5.417 1.00 0.00 H new ATOM 997 N VAL A 65 0.713 8.913 -7.840 1.00 0.00 N ATOM 998 CA VAL A 65 1.674 8.656 -8.906 1.00 0.00 C ATOM 999 C VAL A 65 1.706 9.807 -9.905 1.00 0.00 C ATOM 1000 O VAL A 65 2.525 9.823 -10.823 1.00 0.00 O ATOM 1001 CB VAL A 65 1.345 7.350 -9.655 1.00 0.00 C ATOM 1002 CG1 VAL A 65 0.066 7.506 -10.463 1.00 0.00 C ATOM 1003 CG2 VAL A 65 2.505 6.944 -10.551 1.00 0.00 C ATOM 0 H VAL A 65 -0.263 8.875 -8.133 1.00 0.00 H new ATOM 0 HA VAL A 65 2.652 8.560 -8.435 1.00 0.00 H new ATOM 0 HB VAL A 65 1.189 6.560 -8.921 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.150 6.574 -10.985 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.760 7.747 -9.794 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.190 8.309 -11.190 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.256 6.020 -11.072 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.695 7.732 -11.280 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.397 6.789 -9.944 1.00 0.00 H new ATOM 1013 N GLY A 66 0.809 10.771 -9.719 1.00 0.00 N ATOM 1014 CA GLY A 66 0.752 11.914 -10.612 1.00 0.00 C ATOM 1015 C GLY A 66 -0.563 12.660 -10.514 1.00 0.00 C ATOM 1016 O GLY A 66 -1.578 12.095 -10.107 1.00 0.00 O ATOM 0 H GLY A 66 0.121 10.781 -8.966 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.571 12.595 -10.379 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.900 11.577 -11.638 1.00 0.00 H new ATOM 1020 N PHE A 67 -0.547 13.936 -10.888 1.00 0.00 N ATOM 1021 CA PHE A 67 -1.748 14.762 -10.838 1.00 0.00 C ATOM 1022 C PHE A 67 -2.057 15.354 -12.210 1.00 0.00 C ATOM 1023 O PHE A 67 -1.246 16.083 -12.782 1.00 0.00 O ATOM 1024 CB PHE A 67 -1.578 15.884 -9.812 1.00 0.00 C ATOM 1025 CG PHE A 67 -1.010 15.418 -8.502 1.00 0.00 C ATOM 1026 CD1 PHE A 67 -1.845 14.990 -7.483 1.00 0.00 C ATOM 1027 CD2 PHE A 67 0.359 15.408 -8.290 1.00 0.00 C ATOM 1028 CE1 PHE A 67 -1.325 14.561 -6.277 1.00 0.00 C ATOM 1029 CE2 PHE A 67 0.885 14.980 -7.085 1.00 0.00 C ATOM 1030 CZ PHE A 67 0.042 14.555 -6.078 1.00 0.00 C ATOM 0 H PHE A 67 0.284 14.420 -11.229 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.583 14.129 -10.538 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -0.926 16.651 -10.229 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.546 16.352 -9.633 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.915 14.992 -7.633 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.023 15.738 -9.075 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -1.987 14.231 -5.490 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.954 14.978 -6.932 1.00 0.00 H new ATOM 0 HZ PHE A 67 0.450 14.218 -5.136 1.00 0.00 H new ATOM 1040 N VAL A 68 -3.237 15.034 -12.733 1.00 0.00 N ATOM 1041 CA VAL A 68 -3.655 15.534 -14.038 1.00 0.00 C ATOM 1042 C VAL A 68 -4.615 16.710 -13.894 1.00 0.00 C ATOM 1043 O VAL A 68 -5.529 16.682 -13.069 1.00 0.00 O ATOM 1044 CB VAL A 68 -4.334 14.431 -14.870 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -4.824 14.988 -16.198 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -3.379 13.267 -15.091 1.00 0.00 C ATOM 0 H VAL A 68 -3.920 14.431 -12.273 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.754 15.865 -14.554 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.198 14.063 -14.317 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.301 14.194 -16.772 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.544 15.786 -16.015 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.979 15.385 -16.760 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.875 12.496 -15.681 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.495 13.618 -15.623 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.082 12.852 -14.128 1.00 0.00 H new ATOM 1056 N VAL A 69 -4.401 17.744 -14.701 1.00 0.00 N ATOM 1057 CA VAL A 69 -5.248 18.930 -14.666 1.00 0.00 C ATOM 1058 C VAL A 69 -5.907 19.176 -16.018 1.00 0.00 C ATOM 1059 O VAL A 69 -5.232 19.454 -17.009 1.00 0.00 O ATOM 1060 CB VAL A 69 -4.445 20.181 -14.264 1.00 0.00 C ATOM 1061 CG1 VAL A 69 -5.375 21.363 -14.037 1.00 0.00 C ATOM 1062 CG2 VAL A 69 -3.611 19.903 -13.023 1.00 0.00 C ATOM 0 H VAL A 69 -3.648 17.784 -15.388 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.019 18.746 -13.918 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.768 20.434 -15.080 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.789 22.238 -13.754 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.924 21.575 -14.954 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.079 21.124 -13.240 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.050 20.798 -12.753 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.267 19.624 -12.199 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.917 19.087 -13.226 1.00 0.00 H new ATOM 1072 N VAL A 70 -7.232 19.071 -16.052 1.00 0.00 N ATOM 1073 CA VAL A 70 -7.984 19.283 -17.283 1.00 0.00 C ATOM 1074 C VAL A 70 -9.064 20.343 -17.091 1.00 0.00 C ATOM 1075 O VAL A 70 -10.055 20.116 -16.399 1.00 0.00 O ATOM 1076 CB VAL A 70 -8.642 17.979 -17.771 1.00 0.00 C ATOM 1077 CG1 VAL A 70 -9.483 18.236 -19.011 1.00 0.00 C ATOM 1078 CG2 VAL A 70 -7.585 16.920 -18.044 1.00 0.00 C ATOM 0 H VAL A 70 -7.806 18.840 -15.241 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.272 19.625 -18.034 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.301 17.609 -16.986 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.940 17.303 -19.341 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.264 18.960 -18.777 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.849 18.630 -19.805 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.067 16.005 -18.388 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.899 17.280 -18.811 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.030 16.716 -17.129 1.00 0.00 H new ATOM 1088 N ASN A 71 -8.864 21.502 -17.711 1.00 0.00 N ATOM 1089 CA ASN A 71 -9.821 22.597 -17.609 1.00 0.00 C ATOM 1090 C ASN A 71 -10.438 22.910 -18.969 1.00 0.00 C ATOM 1091 O ASN A 71 -9.760 23.398 -19.872 1.00 0.00 O ATOM 1092 CB ASN A 71 -9.139 23.847 -17.047 1.00 0.00 C ATOM 1093 CG ASN A 71 -8.929 23.765 -15.547 1.00 0.00 C ATOM 1094 OD1 ASN A 71 -9.396 22.833 -14.893 1.00 0.00 O ATOM 1095 ND2 ASN A 71 -8.224 24.746 -14.995 1.00 0.00 N ATOM 0 H ASN A 71 -8.049 21.706 -18.289 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.617 22.288 -16.931 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.176 23.985 -17.539 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.744 24.723 -17.279 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.051 24.746 -13.990 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.856 25.499 -15.576 1.00 0.00 H new ATOM 1102 N ALA A 72 -11.729 22.624 -19.107 1.00 0.00 N ATOM 1103 CA ALA A 72 -12.438 22.877 -20.355 1.00 0.00 C ATOM 1104 C ALA A 72 -12.796 24.352 -20.494 1.00 0.00 C ATOM 1105 O ALA A 72 -12.743 24.914 -21.588 1.00 0.00 O ATOM 1106 CB ALA A 72 -13.691 22.018 -20.433 1.00 0.00 C ATOM 0 H ALA A 72 -12.305 22.217 -18.370 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.777 22.612 -21.180 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -14.211 22.217 -21.370 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.413 20.965 -20.389 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.348 22.256 -19.596 1.00 0.00 H new ATOM 1112 N ASP A 73 -13.163 24.975 -19.379 1.00 0.00 N ATOM 1113 CA ASP A 73 -13.530 26.386 -19.376 1.00 0.00 C ATOM 1114 C ASP A 73 -12.450 27.230 -20.047 1.00 0.00 C ATOM 1115 O ASP A 73 -12.737 28.030 -20.938 1.00 0.00 O ATOM 1116 CB ASP A 73 -13.759 26.873 -17.945 1.00 0.00 C ATOM 1117 CG ASP A 73 -14.128 28.342 -17.885 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -14.795 28.826 -18.824 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -13.751 29.008 -16.898 1.00 0.00 O ATOM 0 H ASP A 73 -13.214 24.524 -18.465 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.456 26.496 -19.941 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.553 26.283 -17.486 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.856 26.704 -17.358 1.00 0.00 H new ATOM 1124 N LYS A 74 -11.208 27.047 -19.613 1.00 0.00 N ATOM 1125 CA LYS A 74 -10.085 27.790 -20.170 1.00 0.00 C ATOM 1126 C LYS A 74 -9.343 26.956 -21.210 1.00 0.00 C ATOM 1127 O LYS A 74 -8.420 27.439 -21.865 1.00 0.00 O ATOM 1128 CB LYS A 74 -9.122 28.210 -19.057 1.00 0.00 C ATOM 1129 CG LYS A 74 -9.698 29.254 -18.117 1.00 0.00 C ATOM 1130 CD LYS A 74 -8.762 29.535 -16.954 1.00 0.00 C ATOM 1131 CE LYS A 74 -7.797 30.665 -17.275 1.00 0.00 C ATOM 1132 NZ LYS A 74 -8.480 31.989 -17.295 1.00 0.00 N ATOM 0 H LYS A 74 -10.954 26.389 -18.876 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.478 28.682 -20.658 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.841 27.329 -18.480 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.209 28.602 -19.506 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.884 30.177 -18.667 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.660 28.911 -17.736 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.346 29.794 -16.070 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.200 28.633 -16.712 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.997 30.680 -16.535 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.332 30.481 -18.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.771 32.747 -17.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.013 32.091 -18.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.133 32.055 -16.489 1.00 0.00 H new ATOM 1146 N LYS A 75 -9.754 25.701 -21.358 1.00 0.00 N ATOM 1147 CA LYS A 75 -9.131 24.800 -22.320 1.00 0.00 C ATOM 1148 C LYS A 75 -7.646 24.625 -22.019 1.00 0.00 C ATOM 1149 O LYS A 75 -6.811 24.654 -22.925 1.00 0.00 O ATOM 1150 CB LYS A 75 -9.315 25.333 -23.743 1.00 0.00 C ATOM 1151 CG LYS A 75 -10.769 25.438 -24.170 1.00 0.00 C ATOM 1152 CD LYS A 75 -10.893 25.781 -25.645 1.00 0.00 C ATOM 1153 CE LYS A 75 -12.312 25.567 -26.149 1.00 0.00 C ATOM 1154 NZ LYS A 75 -13.288 26.448 -25.451 1.00 0.00 N ATOM 0 H LYS A 75 -10.516 25.285 -20.823 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.617 23.828 -22.237 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.852 26.317 -23.816 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.787 24.680 -24.438 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.277 24.494 -23.971 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.270 26.201 -23.575 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.602 26.819 -25.804 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.204 25.165 -26.222 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.350 25.761 -27.221 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.595 24.525 -26.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.228 26.333 -25.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.333 26.188 -24.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.986 27.439 -25.539 1.00 0.00 H new ATOM 1168 N LEU A 76 -7.323 24.442 -20.744 1.00 0.00 N ATOM 1169 CA LEU A 76 -5.937 24.261 -20.324 1.00 0.00 C ATOM 1170 C LEU A 76 -5.648 22.794 -20.021 1.00 0.00 C ATOM 1171 O LEU A 76 -6.431 22.123 -19.350 1.00 0.00 O ATOM 1172 CB LEU A 76 -5.641 25.116 -19.091 1.00 0.00 C ATOM 1173 CG LEU A 76 -5.911 26.615 -19.233 1.00 0.00 C ATOM 1174 CD1 LEU A 76 -6.318 27.213 -17.896 1.00 0.00 C ATOM 1175 CD2 LEU A 76 -4.686 27.327 -19.788 1.00 0.00 C ATOM 0 H LEU A 76 -8.001 24.415 -19.983 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.291 24.579 -21.142 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.236 24.737 -18.260 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.594 24.980 -18.822 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.734 26.752 -19.934 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.506 28.280 -18.017 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.224 26.723 -17.539 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.516 27.065 -17.172 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.896 28.392 -19.882 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.843 27.182 -19.112 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.440 26.918 -20.768 1.00 0.00 H new ATOM 1187 N MET A 77 -4.517 22.304 -20.519 1.00 0.00 N ATOM 1188 CA MET A 77 -4.123 20.918 -20.298 1.00 0.00 C ATOM 1189 C MET A 77 -2.757 20.842 -19.624 1.00 0.00 C ATOM 1190 O MET A 77 -1.740 21.199 -20.219 1.00 0.00 O ATOM 1191 CB MET A 77 -4.093 20.156 -21.625 1.00 0.00 C ATOM 1192 CG MET A 77 -5.461 20.006 -22.270 1.00 0.00 C ATOM 1193 SD MET A 77 -5.888 21.405 -23.325 1.00 0.00 S ATOM 1194 CE MET A 77 -7.674 21.398 -23.189 1.00 0.00 C ATOM 0 H MET A 77 -3.858 22.846 -21.078 1.00 0.00 H new ATOM 0 HA MET A 77 -4.860 20.458 -19.639 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.429 20.674 -22.317 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.669 19.166 -21.457 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.481 19.090 -22.861 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.216 19.899 -21.491 1.00 0.00 H new ATOM 0 HE1 MET A 77 -8.077 22.306 -23.638 1.00 0.00 H new ATOM 0 HE2 MET A 77 -8.075 20.528 -23.708 1.00 0.00 H new ATOM 0 HE3 MET A 77 -7.959 21.356 -22.138 1.00 0.00 H new ATOM 1204 N SER A 78 -2.741 20.376 -18.379 1.00 0.00 N ATOM 1205 CA SER A 78 -1.500 20.257 -17.623 1.00 0.00 C ATOM 1206 C SER A 78 -1.503 18.993 -16.769 1.00 0.00 C ATOM 1207 O SER A 78 -2.155 18.935 -15.726 1.00 0.00 O ATOM 1208 CB SER A 78 -1.300 21.486 -16.734 1.00 0.00 C ATOM 1209 OG SER A 78 -1.612 22.678 -17.434 1.00 0.00 O ATOM 0 H SER A 78 -3.574 20.075 -17.873 1.00 0.00 H new ATOM 0 HA SER A 78 -0.676 20.193 -18.333 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.931 21.405 -15.849 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.267 21.524 -16.387 1.00 0.00 H new ATOM 0 HG SER A 78 -1.478 23.449 -16.844 1.00 0.00 H new ATOM 1215 N VAL A 79 -0.768 17.980 -17.219 1.00 0.00 N ATOM 1216 CA VAL A 79 -0.684 16.717 -16.498 1.00 0.00 C ATOM 1217 C VAL A 79 0.706 16.513 -15.906 1.00 0.00 C ATOM 1218 O VAL A 79 1.715 16.782 -16.558 1.00 0.00 O ATOM 1219 CB VAL A 79 -1.020 15.524 -17.413 1.00 0.00 C ATOM 1220 CG1 VAL A 79 -2.364 15.736 -18.093 1.00 0.00 C ATOM 1221 CG2 VAL A 79 0.081 15.315 -18.441 1.00 0.00 C ATOM 0 H VAL A 79 -0.222 18.011 -18.080 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.416 16.764 -15.692 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.088 14.625 -16.800 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.585 14.884 -18.735 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.143 15.832 -17.337 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.328 16.644 -18.695 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.173 14.468 -19.079 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.183 16.212 -19.052 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.023 15.115 -17.930 1.00 0.00 H new ATOM 1231 N SER A 80 0.752 16.035 -14.667 1.00 0.00 N ATOM 1232 CA SER A 80 2.019 15.798 -13.985 1.00 0.00 C ATOM 1233 C SER A 80 2.173 14.324 -13.622 1.00 0.00 C ATOM 1234 O SER A 80 1.661 13.868 -12.599 1.00 0.00 O ATOM 1235 CB SER A 80 2.113 16.658 -12.724 1.00 0.00 C ATOM 1236 OG SER A 80 1.138 16.273 -11.770 1.00 0.00 O ATOM 0 H SER A 80 -0.074 15.804 -14.115 1.00 0.00 H new ATOM 0 HA SER A 80 2.826 16.073 -14.664 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.108 16.564 -12.290 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.977 17.708 -12.985 1.00 0.00 H new ATOM 0 HG SER A 80 0.242 16.417 -12.141 1.00 0.00 H new ATOM 1242 N PHE A 81 2.883 13.584 -14.467 1.00 0.00 N ATOM 1243 CA PHE A 81 3.104 12.161 -14.237 1.00 0.00 C ATOM 1244 C PHE A 81 4.458 11.921 -13.574 1.00 0.00 C ATOM 1245 O PHE A 81 5.459 12.535 -13.944 1.00 0.00 O ATOM 1246 CB PHE A 81 3.026 11.391 -15.557 1.00 0.00 C ATOM 1247 CG PHE A 81 1.621 11.102 -16.001 1.00 0.00 C ATOM 1248 CD1 PHE A 81 0.688 12.122 -16.100 1.00 0.00 C ATOM 1249 CD2 PHE A 81 1.232 9.810 -16.318 1.00 0.00 C ATOM 1250 CE1 PHE A 81 -0.606 11.860 -16.508 1.00 0.00 C ATOM 1251 CE2 PHE A 81 -0.061 9.542 -16.727 1.00 0.00 C ATOM 1252 CZ PHE A 81 -0.981 10.568 -16.821 1.00 0.00 C ATOM 0 H PHE A 81 3.315 13.946 -15.317 1.00 0.00 H new ATOM 0 HA PHE A 81 2.323 11.801 -13.568 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.533 11.964 -16.333 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.566 10.450 -15.452 1.00 0.00 H new ATOM 0 HD1 PHE A 81 0.976 13.134 -15.855 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.947 9.004 -16.245 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.323 12.664 -16.582 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.352 8.531 -16.973 1.00 0.00 H new ATOM 0 HZ PHE A 81 -1.992 10.360 -17.139 1.00 0.00 H new ATOM 1262 N SER A 82 4.479 11.025 -12.593 1.00 0.00 N ATOM 1263 CA SER A 82 5.708 10.707 -11.875 1.00 0.00 C ATOM 1264 C SER A 82 6.559 9.718 -12.666 1.00 0.00 C ATOM 1265 O SER A 82 6.242 9.385 -13.809 1.00 0.00 O ATOM 1266 CB SER A 82 5.383 10.129 -10.497 1.00 0.00 C ATOM 1267 OG SER A 82 6.518 10.161 -9.649 1.00 0.00 O ATOM 0 H SER A 82 3.659 10.506 -12.277 1.00 0.00 H new ATOM 0 HA SER A 82 6.276 11.629 -11.750 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.571 10.697 -10.044 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.034 9.102 -10.603 1.00 0.00 H new ATOM 0 HG SER A 82 6.819 9.246 -9.471 1.00 0.00 H new ATOM 1273 N ASP A 83 7.639 9.251 -12.050 1.00 0.00 N ATOM 1274 CA ASP A 83 8.536 8.300 -12.695 1.00 0.00 C ATOM 1275 C ASP A 83 7.762 7.096 -13.223 1.00 0.00 C ATOM 1276 O ASP A 83 7.311 6.249 -12.451 1.00 0.00 O ATOM 1277 CB ASP A 83 9.615 7.838 -11.714 1.00 0.00 C ATOM 1278 CG ASP A 83 10.536 6.794 -12.315 1.00 0.00 C ATOM 1279 OD1 ASP A 83 11.478 7.180 -13.039 1.00 0.00 O ATOM 1280 OD2 ASP A 83 10.315 5.592 -12.060 1.00 0.00 O ATOM 0 H ASP A 83 7.915 9.516 -11.104 1.00 0.00 H new ATOM 0 HA ASP A 83 9.013 8.801 -13.537 1.00 0.00 H new ATOM 0 HB2 ASP A 83 10.204 8.698 -11.395 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.140 7.429 -10.822 1.00 0.00 H new ATOM 1285 N ILE A 84 7.612 7.027 -14.541 1.00 0.00 N ATOM 1286 CA ILE A 84 6.893 5.927 -15.171 1.00 0.00 C ATOM 1287 C ILE A 84 7.739 5.266 -16.254 1.00 0.00 C ATOM 1288 O ILE A 84 8.872 5.675 -16.507 1.00 0.00 O ATOM 1289 CB ILE A 84 5.566 6.404 -15.792 1.00 0.00 C ATOM 1290 CG1 ILE A 84 5.798 7.651 -16.647 1.00 0.00 C ATOM 1291 CG2 ILE A 84 4.543 6.684 -14.702 1.00 0.00 C ATOM 1292 CD1 ILE A 84 4.741 7.860 -17.709 1.00 0.00 C ATOM 0 H ILE A 84 7.979 7.720 -15.193 1.00 0.00 H new ATOM 0 HA ILE A 84 6.678 5.201 -14.387 1.00 0.00 H new ATOM 0 HB ILE A 84 5.176 5.614 -16.434 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.828 8.526 -15.998 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.774 7.576 -17.127 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.611 7.020 -15.156 1.00 0.00 H new ATOM 0 HG22 ILE A 84 4.361 5.773 -14.131 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.923 7.459 -14.037 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.969 8.762 -18.277 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.726 7.002 -18.381 1.00 0.00 H new ATOM 0 HD13 ILE A 84 3.765 7.967 -17.235 1.00 0.00 H new ATOM 1304 N ASP A 85 7.180 4.243 -16.892 1.00 0.00 N ATOM 1305 CA ASP A 85 7.882 3.527 -17.950 1.00 0.00 C ATOM 1306 C ASP A 85 8.011 4.392 -19.200 1.00 0.00 C ATOM 1307 O ASP A 85 7.177 5.261 -19.452 1.00 0.00 O ATOM 1308 CB ASP A 85 7.149 2.228 -18.289 1.00 0.00 C ATOM 1309 CG ASP A 85 6.896 1.370 -17.064 1.00 0.00 C ATOM 1310 OD1 ASP A 85 7.837 1.185 -16.265 1.00 0.00 O ATOM 1311 OD2 ASP A 85 5.756 0.883 -16.906 1.00 0.00 O ATOM 0 H ASP A 85 6.243 3.892 -16.695 1.00 0.00 H new ATOM 0 HA ASP A 85 8.883 3.288 -17.590 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.198 2.465 -18.766 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.736 1.661 -19.012 1.00 0.00 H new ATOM 1316 N GLU A 86 9.063 4.149 -19.976 1.00 0.00 N ATOM 1317 CA GLU A 86 9.301 4.909 -21.198 1.00 0.00 C ATOM 1318 C GLU A 86 8.191 4.665 -22.216 1.00 0.00 C ATOM 1319 O GLU A 86 7.711 5.595 -22.861 1.00 0.00 O ATOM 1320 CB GLU A 86 10.655 4.532 -21.803 1.00 0.00 C ATOM 1321 CG GLU A 86 10.804 3.046 -22.083 1.00 0.00 C ATOM 1322 CD GLU A 86 12.201 2.676 -22.543 1.00 0.00 C ATOM 1323 OE1 GLU A 86 13.164 2.956 -21.799 1.00 0.00 O ATOM 1324 OE2 GLU A 86 12.330 2.107 -23.647 1.00 0.00 O ATOM 0 H GLU A 86 9.763 3.433 -19.781 1.00 0.00 H new ATOM 0 HA GLU A 86 9.308 5.968 -20.941 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.795 5.084 -22.732 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.447 4.846 -21.124 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.562 2.484 -21.181 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.084 2.750 -22.846 1.00 0.00 H new ATOM 1331 N ASN A 87 7.789 3.405 -22.353 1.00 0.00 N ATOM 1332 CA ASN A 87 6.736 3.037 -23.293 1.00 0.00 C ATOM 1333 C ASN A 87 5.409 3.681 -22.903 1.00 0.00 C ATOM 1334 O ASN A 87 4.733 4.287 -23.734 1.00 0.00 O ATOM 1335 CB ASN A 87 6.582 1.516 -23.348 1.00 0.00 C ATOM 1336 CG ASN A 87 6.077 1.034 -24.695 1.00 0.00 C ATOM 1337 OD1 ASN A 87 6.650 1.356 -25.736 1.00 0.00 O ATOM 1338 ND2 ASN A 87 4.999 0.259 -24.680 1.00 0.00 N ATOM 0 H ASN A 87 8.176 2.623 -21.826 1.00 0.00 H new ATOM 0 HA ASN A 87 7.020 3.402 -24.280 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.543 1.048 -23.135 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.891 1.195 -22.568 1.00 0.00 H new ATOM 0 HD21 ASN A 87 4.613 -0.095 -25.555 1.00 0.00 H new ATOM 0 HD22 ASN A 87 4.557 0.018 -23.793 1.00 0.00 H new ATOM 1345 N MET A 88 5.042 3.544 -21.632 1.00 0.00 N ATOM 1346 CA MET A 88 3.797 4.114 -21.131 1.00 0.00 C ATOM 1347 C MET A 88 3.794 5.632 -21.283 1.00 0.00 C ATOM 1348 O MET A 88 2.801 6.221 -21.709 1.00 0.00 O ATOM 1349 CB MET A 88 3.593 3.735 -19.663 1.00 0.00 C ATOM 1350 CG MET A 88 2.132 3.682 -19.247 1.00 0.00 C ATOM 1351 SD MET A 88 1.420 2.034 -19.417 1.00 0.00 S ATOM 1352 CE MET A 88 0.292 2.008 -18.026 1.00 0.00 C ATOM 0 H MET A 88 5.589 3.044 -20.931 1.00 0.00 H new ATOM 0 HA MET A 88 2.976 3.707 -21.721 1.00 0.00 H new ATOM 0 HB2 MET A 88 4.050 2.762 -19.480 1.00 0.00 H new ATOM 0 HB3 MET A 88 4.116 4.456 -19.034 1.00 0.00 H new ATOM 0 HG2 MET A 88 2.041 4.007 -18.211 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.560 4.385 -19.853 1.00 0.00 H new ATOM 0 HE1 MET A 88 -0.264 1.071 -18.026 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.857 2.094 -17.098 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.404 2.843 -18.106 1.00 0.00 H new ATOM 1362 N LYS A 89 4.910 6.259 -20.930 1.00 0.00 N ATOM 1363 CA LYS A 89 5.037 7.709 -21.027 1.00 0.00 C ATOM 1364 C LYS A 89 4.766 8.184 -22.451 1.00 0.00 C ATOM 1365 O LYS A 89 4.162 9.237 -22.660 1.00 0.00 O ATOM 1366 CB LYS A 89 6.436 8.149 -20.589 1.00 0.00 C ATOM 1367 CG LYS A 89 6.527 9.624 -20.237 1.00 0.00 C ATOM 1368 CD LYS A 89 6.897 10.465 -21.447 1.00 0.00 C ATOM 1369 CE LYS A 89 8.365 10.301 -21.811 1.00 0.00 C ATOM 1370 NZ LYS A 89 9.238 11.208 -21.016 1.00 0.00 N ATOM 0 H LYS A 89 5.741 5.786 -20.574 1.00 0.00 H new ATOM 0 HA LYS A 89 4.297 8.159 -20.365 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.740 7.558 -19.725 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.144 7.931 -21.389 1.00 0.00 H new ATOM 0 HG2 LYS A 89 5.572 9.963 -19.836 1.00 0.00 H new ATOM 0 HG3 LYS A 89 7.271 9.766 -19.453 1.00 0.00 H new ATOM 0 HD2 LYS A 89 6.276 10.177 -22.295 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.687 11.514 -21.240 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.667 9.267 -21.644 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.501 10.505 -22.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.171 10.767 -20.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 9.348 12.112 -21.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 8.805 11.379 -20.086 1.00 0.00 H new ATOM 1384 N LYS A 90 5.214 7.402 -23.427 1.00 0.00 N ATOM 1385 CA LYS A 90 5.017 7.741 -24.831 1.00 0.00 C ATOM 1386 C LYS A 90 3.532 7.792 -25.176 1.00 0.00 C ATOM 1387 O LYS A 90 3.044 8.784 -25.717 1.00 0.00 O ATOM 1388 CB LYS A 90 5.724 6.722 -25.727 1.00 0.00 C ATOM 1389 CG LYS A 90 7.199 7.019 -25.940 1.00 0.00 C ATOM 1390 CD LYS A 90 7.782 6.172 -27.058 1.00 0.00 C ATOM 1391 CE LYS A 90 7.602 6.838 -28.414 1.00 0.00 C ATOM 1392 NZ LYS A 90 7.639 5.849 -29.527 1.00 0.00 N ATOM 0 H LYS A 90 5.717 6.528 -23.271 1.00 0.00 H new ATOM 0 HA LYS A 90 5.446 8.728 -25.004 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.622 5.730 -25.286 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.224 6.694 -26.695 1.00 0.00 H new ATOM 0 HG2 LYS A 90 7.328 8.075 -26.177 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.746 6.831 -25.016 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.843 6.003 -26.872 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.300 5.195 -27.065 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.652 7.371 -28.433 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.387 7.580 -28.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.513 6.342 -30.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.556 5.358 -29.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.874 5.156 -29.401 1.00 0.00 H new ATOM 1406 N VAL A 91 2.817 6.718 -24.857 1.00 0.00 N ATOM 1407 CA VAL A 91 1.387 6.642 -25.130 1.00 0.00 C ATOM 1408 C VAL A 91 0.641 7.800 -24.478 1.00 0.00 C ATOM 1409 O VAL A 91 -0.060 8.557 -25.150 1.00 0.00 O ATOM 1410 CB VAL A 91 0.790 5.313 -24.629 1.00 0.00 C ATOM 1411 CG1 VAL A 91 -0.690 5.231 -24.970 1.00 0.00 C ATOM 1412 CG2 VAL A 91 1.548 4.133 -25.218 1.00 0.00 C ATOM 0 H VAL A 91 3.205 5.888 -24.409 1.00 0.00 H new ATOM 0 HA VAL A 91 1.267 6.700 -26.212 1.00 0.00 H new ATOM 0 HB VAL A 91 0.891 5.275 -23.544 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.095 4.286 -24.609 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.219 6.057 -24.495 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.818 5.291 -26.051 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.113 3.202 -24.853 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.481 4.164 -26.305 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.594 4.186 -24.918 1.00 0.00 H new ATOM 1422 N ILE A 92 0.796 7.932 -23.165 1.00 0.00 N ATOM 1423 CA ILE A 92 0.138 9.000 -22.422 1.00 0.00 C ATOM 1424 C ILE A 92 0.517 10.369 -22.975 1.00 0.00 C ATOM 1425 O ILE A 92 -0.314 11.275 -23.044 1.00 0.00 O ATOM 1426 CB ILE A 92 0.495 8.946 -20.924 1.00 0.00 C ATOM 1427 CG1 ILE A 92 -0.147 7.723 -20.268 1.00 0.00 C ATOM 1428 CG2 ILE A 92 0.049 10.223 -20.228 1.00 0.00 C ATOM 1429 CD1 ILE A 92 0.699 7.111 -19.173 1.00 0.00 C ATOM 0 H ILE A 92 1.371 7.313 -22.594 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.935 8.850 -22.537 1.00 0.00 H new ATOM 0 HB ILE A 92 1.577 8.860 -20.826 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.113 8.009 -19.853 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.339 6.970 -21.032 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.308 10.170 -19.170 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.549 11.079 -20.682 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.030 10.336 -20.332 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.182 6.249 -18.753 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.656 6.794 -19.587 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.869 7.849 -18.389 1.00 0.00 H new ATOM 1441 N LYS A 93 1.778 10.513 -23.370 1.00 0.00 N ATOM 1442 CA LYS A 93 2.269 11.771 -23.920 1.00 0.00 C ATOM 1443 C LYS A 93 1.584 12.088 -25.246 1.00 0.00 C ATOM 1444 O LYS A 93 1.311 13.248 -25.553 1.00 0.00 O ATOM 1445 CB LYS A 93 3.785 11.708 -24.119 1.00 0.00 C ATOM 1446 CG LYS A 93 4.379 12.988 -24.680 1.00 0.00 C ATOM 1447 CD LYS A 93 5.887 12.883 -24.833 1.00 0.00 C ATOM 1448 CE LYS A 93 6.271 11.831 -25.862 1.00 0.00 C ATOM 1449 NZ LYS A 93 7.552 12.164 -26.544 1.00 0.00 N ATOM 0 H LYS A 93 2.479 9.773 -23.319 1.00 0.00 H new ATOM 0 HA LYS A 93 2.035 12.565 -23.211 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.259 11.486 -23.163 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.021 10.883 -24.791 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.928 13.205 -25.648 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.136 13.822 -24.021 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.292 13.850 -25.131 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.335 12.633 -23.871 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.361 10.861 -25.373 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.477 11.742 -26.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.779 11.423 -27.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.458 13.078 -27.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.315 12.224 -25.840 1.00 0.00 H new ATOM 1463 N ALA A 94 1.309 11.049 -26.028 1.00 0.00 N ATOM 1464 CA ALA A 94 0.653 11.218 -27.319 1.00 0.00 C ATOM 1465 C ALA A 94 -0.819 11.575 -27.145 1.00 0.00 C ATOM 1466 O ALA A 94 -1.312 12.530 -27.747 1.00 0.00 O ATOM 1467 CB ALA A 94 0.796 9.952 -28.152 1.00 0.00 C ATOM 0 H ALA A 94 1.530 10.082 -25.790 1.00 0.00 H new ATOM 0 HA ALA A 94 1.140 12.042 -27.841 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.302 10.091 -29.114 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.853 9.741 -28.314 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.336 9.116 -27.625 1.00 0.00 H new ATOM 1473 N THR A 95 -1.517 10.803 -26.318 1.00 0.00 N ATOM 1474 CA THR A 95 -2.933 11.038 -26.066 1.00 0.00 C ATOM 1475 C THR A 95 -3.163 12.417 -25.459 1.00 0.00 C ATOM 1476 O THR A 95 -4.131 13.099 -25.793 1.00 0.00 O ATOM 1477 CB THR A 95 -3.520 9.971 -25.123 1.00 0.00 C ATOM 1478 OG1 THR A 95 -3.414 8.675 -25.723 1.00 0.00 O ATOM 1479 CG2 THR A 95 -4.978 10.271 -24.807 1.00 0.00 C ATOM 0 H THR A 95 -1.124 10.010 -25.811 1.00 0.00 H new ATOM 0 HA THR A 95 -3.439 10.980 -27.030 1.00 0.00 H new ATOM 0 HB THR A 95 -2.952 9.988 -24.193 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.788 8.002 -25.116 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.371 9.504 -24.140 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.053 11.245 -24.324 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.556 10.279 -25.731 1.00 0.00 H new ATOM 1487 N ALA A 96 -2.265 12.823 -24.567 1.00 0.00 N ATOM 1488 CA ALA A 96 -2.369 14.123 -23.916 1.00 0.00 C ATOM 1489 C ALA A 96 -1.974 15.247 -24.867 1.00 0.00 C ATOM 1490 O ALA A 96 -2.582 16.316 -24.865 1.00 0.00 O ATOM 1491 CB ALA A 96 -1.502 14.158 -22.666 1.00 0.00 C ATOM 0 H ALA A 96 -1.458 12.270 -24.279 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.409 14.275 -23.628 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.589 15.135 -22.190 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.833 13.385 -21.972 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.462 13.979 -22.939 1.00 0.00 H new ATOM 1497 N GLU A 97 -0.951 14.996 -25.679 1.00 0.00 N ATOM 1498 CA GLU A 97 -0.475 15.989 -26.635 1.00 0.00 C ATOM 1499 C GLU A 97 -1.523 16.256 -27.711 1.00 0.00 C ATOM 1500 O GLU A 97 -1.629 17.367 -28.229 1.00 0.00 O ATOM 1501 CB GLU A 97 0.830 15.520 -27.283 1.00 0.00 C ATOM 1502 CG GLU A 97 1.267 16.377 -28.460 1.00 0.00 C ATOM 1503 CD GLU A 97 2.775 16.490 -28.570 1.00 0.00 C ATOM 1504 OE1 GLU A 97 3.473 15.535 -28.171 1.00 0.00 O ATOM 1505 OE2 GLU A 97 3.257 17.535 -29.058 1.00 0.00 O ATOM 0 H GLU A 97 -0.437 14.115 -25.694 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.291 16.917 -26.094 1.00 0.00 H new ATOM 0 HB2 GLU A 97 1.620 15.520 -26.531 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.709 14.490 -27.619 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.870 15.952 -29.382 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.838 17.374 -28.358 1.00 0.00 H new ATOM 1512 N LYS A 98 -2.297 15.228 -28.042 1.00 0.00 N ATOM 1513 CA LYS A 98 -3.338 15.348 -29.055 1.00 0.00 C ATOM 1514 C LYS A 98 -4.284 16.500 -28.729 1.00 0.00 C ATOM 1515 O LYS A 98 -4.896 17.086 -29.623 1.00 0.00 O ATOM 1516 CB LYS A 98 -4.128 14.042 -29.163 1.00 0.00 C ATOM 1517 CG LYS A 98 -3.399 12.952 -29.930 1.00 0.00 C ATOM 1518 CD LYS A 98 -3.777 12.957 -31.401 1.00 0.00 C ATOM 1519 CE LYS A 98 -3.609 11.580 -32.025 1.00 0.00 C ATOM 1520 NZ LYS A 98 -2.174 11.217 -32.189 1.00 0.00 N ATOM 0 H LYS A 98 -2.223 14.301 -27.623 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.857 15.554 -30.011 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.354 13.680 -28.160 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.081 14.243 -29.652 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.323 13.093 -29.830 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.635 11.980 -29.496 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.811 13.284 -31.511 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.157 13.677 -31.935 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.103 10.836 -31.401 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.102 11.559 -32.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.102 10.272 -32.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.708 11.913 -32.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.709 11.212 -31.259 1.00 0.00 H new ATOM 1534 N PHE A 99 -4.397 16.821 -27.445 1.00 0.00 N ATOM 1535 CA PHE A 99 -5.267 17.904 -27.001 1.00 0.00 C ATOM 1536 C PHE A 99 -4.912 19.210 -27.705 1.00 0.00 C ATOM 1537 O PHE A 99 -5.740 20.116 -27.814 1.00 0.00 O ATOM 1538 CB PHE A 99 -5.161 18.083 -25.485 1.00 0.00 C ATOM 1539 CG PHE A 99 -5.971 17.087 -24.706 1.00 0.00 C ATOM 1540 CD1 PHE A 99 -5.583 15.758 -24.642 1.00 0.00 C ATOM 1541 CD2 PHE A 99 -7.119 17.478 -24.037 1.00 0.00 C ATOM 1542 CE1 PHE A 99 -6.325 14.838 -23.925 1.00 0.00 C ATOM 1543 CE2 PHE A 99 -7.865 16.563 -23.319 1.00 0.00 C ATOM 1544 CZ PHE A 99 -7.468 15.241 -23.263 1.00 0.00 C ATOM 0 H PHE A 99 -3.897 16.347 -26.693 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.293 17.641 -27.258 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.115 17.999 -25.190 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.487 19.089 -25.222 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.690 15.437 -25.158 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.435 18.510 -24.077 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.011 13.805 -23.883 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -8.758 16.881 -22.802 1.00 0.00 H new ATOM 0 HZ PHE A 99 -8.050 14.524 -22.703 1.00 0.00 H new ATOM 1554 N LYS A 100 -3.675 19.301 -28.182 1.00 0.00 N ATOM 1555 CA LYS A 100 -3.209 20.495 -28.876 1.00 0.00 C ATOM 1556 C LYS A 100 -4.207 20.929 -29.945 1.00 0.00 C ATOM 1557 O LYS A 100 -4.350 22.117 -30.228 1.00 0.00 O ATOM 1558 CB LYS A 100 -1.842 20.237 -29.515 1.00 0.00 C ATOM 1559 CG LYS A 100 -1.287 21.434 -30.268 1.00 0.00 C ATOM 1560 CD LYS A 100 0.223 21.348 -30.416 1.00 0.00 C ATOM 1561 CE LYS A 100 0.934 21.776 -29.142 1.00 0.00 C ATOM 1562 NZ LYS A 100 2.399 21.517 -29.209 1.00 0.00 N ATOM 0 H LYS A 100 -2.977 18.562 -28.100 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.117 21.297 -28.144 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.135 19.948 -28.737 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.924 19.393 -30.200 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.748 21.490 -31.254 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.550 22.351 -29.741 1.00 0.00 H new ATOM 0 HD2 LYS A 100 0.507 20.326 -30.667 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.545 21.980 -31.243 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.761 22.838 -28.969 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.509 21.241 -28.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.847 21.823 -28.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.566 20.500 -29.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 2.809 22.047 -30.004 1.00 0.00 H new ATOM 1576 N ASN A 101 -4.897 19.957 -30.533 1.00 0.00 N ATOM 1577 CA ASN A 101 -5.883 20.239 -31.570 1.00 0.00 C ATOM 1578 C ASN A 101 -6.891 21.280 -31.093 1.00 0.00 C ATOM 1579 O ASN A 101 -7.302 22.156 -31.854 1.00 0.00 O ATOM 1580 CB ASN A 101 -6.612 18.955 -31.973 1.00 0.00 C ATOM 1581 CG ASN A 101 -5.854 18.166 -33.023 1.00 0.00 C ATOM 1582 OD1 ASN A 101 -5.489 18.698 -34.071 1.00 0.00 O ATOM 1583 ND2 ASN A 101 -5.616 16.889 -32.747 1.00 0.00 N ATOM 0 H ASN A 101 -4.792 18.967 -30.309 1.00 0.00 H new ATOM 0 HA ASN A 101 -5.357 20.638 -32.437 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -6.760 18.332 -31.091 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -7.601 19.207 -32.355 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.112 16.308 -33.417 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -5.937 16.489 -31.865 1.00 0.00 H new ATOM 1590 N LYS A 102 -7.284 21.180 -29.828 1.00 0.00 N ATOM 1591 CA LYS A 102 -8.241 22.113 -29.247 1.00 0.00 C ATOM 1592 C LYS A 102 -7.695 22.722 -27.960 1.00 0.00 C ATOM 1593 O LYS A 102 -8.456 23.130 -27.083 1.00 0.00 O ATOM 1594 CB LYS A 102 -9.569 21.405 -28.966 1.00 0.00 C ATOM 1595 CG LYS A 102 -10.759 22.347 -28.903 1.00 0.00 C ATOM 1596 CD LYS A 102 -11.346 22.597 -30.282 1.00 0.00 C ATOM 1597 CE LYS A 102 -12.323 21.501 -30.680 1.00 0.00 C ATOM 1598 NZ LYS A 102 -13.576 21.558 -29.878 1.00 0.00 N ATOM 0 H LYS A 102 -6.954 20.461 -29.185 1.00 0.00 H new ATOM 0 HA LYS A 102 -8.409 22.916 -29.965 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.746 20.661 -29.743 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.492 20.867 -28.021 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -11.524 21.925 -28.252 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -10.451 23.294 -28.460 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.855 23.561 -30.292 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -10.542 22.653 -31.016 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -12.565 21.597 -31.739 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -11.851 20.528 -30.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.327 21.032 -30.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -13.410 21.132 -28.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.868 22.549 -29.760 1.00 0.00 H new ATOM 1612 N GLY A 103 -6.371 22.781 -27.853 1.00 0.00 N ATOM 1613 CA GLY A 103 -5.747 23.343 -26.670 1.00 0.00 C ATOM 1614 C GLY A 103 -4.262 23.586 -26.858 1.00 0.00 C ATOM 1615 O GLY A 103 -3.436 22.767 -26.454 1.00 0.00 O ATOM 0 H GLY A 103 -5.720 22.450 -28.565 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.237 24.283 -26.416 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -5.898 22.668 -25.828 1.00 0.00 H new ATOM 1619 N PHE A 104 -3.922 24.713 -27.473 1.00 0.00 N ATOM 1620 CA PHE A 104 -2.527 25.060 -27.716 1.00 0.00 C ATOM 1621 C PHE A 104 -1.736 25.082 -26.411 1.00 0.00 C ATOM 1622 O PHE A 104 -0.511 24.959 -26.411 1.00 0.00 O ATOM 1623 CB PHE A 104 -2.431 26.423 -28.406 1.00 0.00 C ATOM 1624 CG PHE A 104 -2.886 27.565 -27.544 1.00 0.00 C ATOM 1625 CD1 PHE A 104 -2.016 28.162 -26.646 1.00 0.00 C ATOM 1626 CD2 PHE A 104 -4.184 28.041 -27.631 1.00 0.00 C ATOM 1627 CE1 PHE A 104 -2.433 29.213 -25.851 1.00 0.00 C ATOM 1628 CE2 PHE A 104 -4.607 29.092 -26.839 1.00 0.00 C ATOM 1629 CZ PHE A 104 -3.730 29.679 -25.949 1.00 0.00 C ATOM 0 H PHE A 104 -4.593 25.402 -27.812 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.098 24.299 -28.368 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -1.398 26.596 -28.709 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -3.031 26.404 -29.316 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -1.001 27.802 -26.566 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -4.874 27.585 -28.326 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -1.746 29.669 -25.154 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.622 29.453 -26.916 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.057 30.501 -25.330 1.00 0.00 H new ATOM 1639 N LYS A 105 -2.446 25.240 -25.299 1.00 0.00 N ATOM 1640 CA LYS A 105 -1.814 25.278 -23.986 1.00 0.00 C ATOM 1641 C LYS A 105 -1.852 23.904 -23.324 1.00 0.00 C ATOM 1642 O LYS A 105 -2.573 23.694 -22.349 1.00 0.00 O ATOM 1643 CB LYS A 105 -2.510 26.306 -23.091 1.00 0.00 C ATOM 1644 CG LYS A 105 -4.026 26.222 -23.133 1.00 0.00 C ATOM 1645 CD LYS A 105 -4.628 27.392 -23.892 1.00 0.00 C ATOM 1646 CE LYS A 105 -6.149 27.343 -23.876 1.00 0.00 C ATOM 1647 NZ LYS A 105 -6.689 26.525 -24.997 1.00 0.00 N ATOM 0 H LYS A 105 -3.461 25.344 -25.281 1.00 0.00 H new ATOM 0 HA LYS A 105 -0.772 25.569 -24.121 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -2.175 26.166 -22.063 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -2.201 27.307 -23.394 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.327 25.287 -23.606 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.419 26.206 -22.116 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -4.288 28.328 -23.449 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -4.273 27.380 -24.923 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.489 26.928 -22.927 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -6.546 28.356 -23.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -7.590 26.932 -25.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -6.008 26.521 -25.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.847 25.550 -24.671 1.00 0.00 H new ATOM 1661 N VAL A 106 -1.070 22.972 -23.860 1.00 0.00 N ATOM 1662 CA VAL A 106 -1.013 21.619 -23.319 1.00 0.00 C ATOM 1663 C VAL A 106 0.403 21.263 -22.879 1.00 0.00 C ATOM 1664 O VAL A 106 1.370 21.526 -23.593 1.00 0.00 O ATOM 1665 CB VAL A 106 -1.494 20.582 -24.351 1.00 0.00 C ATOM 1666 CG1 VAL A 106 -0.581 20.575 -25.567 1.00 0.00 C ATOM 1667 CG2 VAL A 106 -1.567 19.199 -23.721 1.00 0.00 C ATOM 0 H VAL A 106 -0.468 23.129 -24.668 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.676 21.595 -22.454 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.495 20.860 -24.680 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -0.937 19.836 -26.285 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.584 21.562 -26.030 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.433 20.322 -25.259 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.909 18.478 -24.464 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.579 18.910 -23.362 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.266 19.217 -22.885 1.00 0.00 H new ATOM 1677 N GLU A 107 0.516 20.663 -21.698 1.00 0.00 N ATOM 1678 CA GLU A 107 1.814 20.271 -21.162 1.00 0.00 C ATOM 1679 C GLU A 107 1.702 18.983 -20.351 1.00 0.00 C ATOM 1680 O GLU A 107 0.681 18.725 -19.712 1.00 0.00 O ATOM 1681 CB GLU A 107 2.389 21.388 -20.289 1.00 0.00 C ATOM 1682 CG GLU A 107 3.904 21.354 -20.177 1.00 0.00 C ATOM 1683 CD GLU A 107 4.593 21.597 -21.505 1.00 0.00 C ATOM 1684 OE1 GLU A 107 4.147 22.494 -22.251 1.00 0.00 O ATOM 1685 OE2 GLU A 107 5.579 20.888 -21.800 1.00 0.00 O ATOM 0 H GLU A 107 -0.275 20.438 -21.095 1.00 0.00 H new ATOM 0 HA GLU A 107 2.486 20.094 -22.002 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.085 22.351 -20.699 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.958 21.316 -19.291 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.229 22.108 -19.460 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.214 20.386 -19.783 1.00 0.00 H new ATOM 1692 N THR A 108 2.759 18.177 -20.382 1.00 0.00 N ATOM 1693 CA THR A 108 2.779 16.916 -19.652 1.00 0.00 C ATOM 1694 C THR A 108 4.143 16.669 -19.018 1.00 0.00 C ATOM 1695 O THR A 108 5.178 16.989 -19.604 1.00 0.00 O ATOM 1696 CB THR A 108 2.431 15.729 -20.570 1.00 0.00 C ATOM 1697 OG1 THR A 108 3.542 15.425 -21.420 1.00 0.00 O ATOM 1698 CG2 THR A 108 1.207 16.043 -21.419 1.00 0.00 C ATOM 0 H THR A 108 3.612 18.375 -20.905 1.00 0.00 H new ATOM 0 HA THR A 108 2.025 16.993 -18.869 1.00 0.00 H new ATOM 0 HB THR A 108 2.207 14.866 -19.943 1.00 0.00 H new ATOM 0 HG1 THR A 108 3.313 14.668 -21.999 1.00 0.00 H new ATOM 0 HG21 THR A 108 0.980 15.191 -22.059 1.00 0.00 H new ATOM 0 HG22 THR A 108 0.356 16.246 -20.769 1.00 0.00 H new ATOM 0 HG23 THR A 108 1.408 16.918 -22.037 1.00 0.00 H new ATOM 1706 N ASP A 109 4.139 16.099 -17.818 1.00 0.00 N ATOM 1707 CA ASP A 109 5.377 15.808 -17.105 1.00 0.00 C ATOM 1708 C ASP A 109 5.770 14.344 -17.274 1.00 0.00 C ATOM 1709 O ASP A 109 4.954 13.514 -17.675 1.00 0.00 O ATOM 1710 CB ASP A 109 5.226 16.140 -15.620 1.00 0.00 C ATOM 1711 CG ASP A 109 6.536 16.567 -14.986 1.00 0.00 C ATOM 1712 OD1 ASP A 109 7.279 17.342 -15.623 1.00 0.00 O ATOM 1713 OD2 ASP A 109 6.817 16.125 -13.852 1.00 0.00 O ATOM 0 H ASP A 109 3.292 15.829 -17.318 1.00 0.00 H new ATOM 0 HA ASP A 109 6.166 16.429 -17.529 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.492 16.937 -15.502 1.00 0.00 H new ATOM 0 HB3 ASP A 109 4.838 15.268 -15.093 1.00 0.00 H new ATOM 1718 N MET A 110 7.026 14.034 -16.967 1.00 0.00 N ATOM 1719 CA MET A 110 7.526 12.669 -17.085 1.00 0.00 C ATOM 1720 C MET A 110 6.617 11.691 -16.348 1.00 0.00 C ATOM 1721 O MET A 110 6.335 10.598 -16.840 1.00 0.00 O ATOM 1722 CB MET A 110 8.950 12.576 -16.532 1.00 0.00 C ATOM 1723 CG MET A 110 9.778 11.472 -17.168 1.00 0.00 C ATOM 1724 SD MET A 110 11.415 11.316 -16.428 1.00 0.00 S ATOM 1725 CE MET A 110 11.088 10.125 -15.131 1.00 0.00 C ATOM 0 H MET A 110 7.715 14.709 -16.635 1.00 0.00 H new ATOM 0 HA MET A 110 7.536 12.402 -18.142 1.00 0.00 H new ATOM 0 HB2 MET A 110 9.453 13.531 -16.685 1.00 0.00 H new ATOM 0 HB3 MET A 110 8.903 12.409 -15.456 1.00 0.00 H new ATOM 0 HG2 MET A 110 9.248 10.524 -17.071 1.00 0.00 H new ATOM 0 HG3 MET A 110 9.883 11.671 -18.235 1.00 0.00 H new ATOM 0 HE1 MET A 110 12.008 9.924 -14.581 1.00 0.00 H new ATOM 0 HE2 MET A 110 10.338 10.526 -14.449 1.00 0.00 H new ATOM 0 HE3 MET A 110 10.719 9.199 -15.572 1.00 0.00 H new TER 1735 MET A 110