USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 939 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 95 HIS : no HD1:sc= 0.125 K(o=1.3,f=-1.5) USER MOD Set 1.2: A 99 LYS NZ :NH3+ -109:sc= 1.19 (180deg=-0.242) USER MOD Set 2.1: A 74 MET CE :methyl -133:sc= -0.345 (180deg=-2.36) USER MOD Set 2.2: A 88 GLN : amide:sc= -0.303 X(o=-0.65,f=-0.78) USER MOD Set 3.1: A 56 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 61 MET CE :methyl -172:sc= 0 (180deg=-0.09) USER MOD Set 4.1: A 20 LYS NZ :NH3+ -161:sc= -0.245 (180deg=-0.0938) USER MOD Set 4.2: A 30 ASN : amide:sc= -1.19 K(o=-1.4,f=-3.7) USER MOD Set 5.1: A 7 ASN : amide:sc= 0.263 K(o=0.31,f=-1.6) USER MOD Set 5.2: A 11 ASN : amide:sc= 0.0416 K(o=0.31,f=-0.98) USER MOD Single : A 2 GLN : amide:sc= 0.117 X(o=0.12,f=0) USER MOD Single : A 5 MET CE :methyl 158:sc= -0.234 (180deg=-0.759) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -157:sc= -0.395 (180deg=-1.38) USER MOD Single : A 23 MET CE :methyl -141:sc= -0.344 (180deg=-0.763) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.157 K(o=-0.16,f=-1.5) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot -118:sc= 0.657 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.972 K(o=0.97,f=0) USER MOD Single : A 48 THR OG1 : rot 151:sc= 0.621 USER MOD Single : A 53 MET CE :methyl -136:sc= -0.318 (180deg=-3.66!) USER MOD Single : A 57 THR OG1 : rot 77:sc= 0.833 USER MOD Single : A 58 LYS NZ :NH3+ -166:sc= 1.24 (180deg=1.21) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 69 HIS : no HD1:sc= 0.207 K(o=0.21,f=-2.1!) USER MOD Single : A 70 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.17) USER MOD Single : A 72 ASN : amide:sc= -0.636 X(o=-0.64,f=-0.73) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= -0.694 K(o=-0.69,f=-5.5!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -168:sc= -0.147 (180deg=-0.395) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 134:sc= 0.0582 USER MOD Single : A 104 ASN : amide:sc= -2.13! K(o=-2.1!,f=-0.41) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 84:sc= 1.07 USER MOD Single : A 116 THR OG1 : rot 97:sc= 1.27 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= -0.295 X(o=-0.3,f=-0.064) USER MOD Single : A 124 LYS NZ :NH3+ 167:sc= 0.782 (180deg=0.719) USER MOD Single : A 126 ASN : amide:sc= -0.124 K(o=-0.12,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 12 N GLN A 2 12.497 -9.804 2.717 1.00 0.00 N ATOM 13 CA GLN A 2 11.142 -10.362 2.662 1.00 0.00 C ATOM 14 C GLN A 2 10.386 -10.153 3.977 1.00 0.00 C ATOM 15 O GLN A 2 9.281 -9.613 3.961 1.00 0.00 O ATOM 16 CB GLN A 2 11.217 -11.857 2.286 1.00 0.00 C ATOM 17 CG GLN A 2 10.110 -12.388 1.358 1.00 0.00 C ATOM 18 CD GLN A 2 8.744 -12.633 1.999 1.00 0.00 C ATOM 19 OE1 GLN A 2 8.250 -13.754 2.064 1.00 0.00 O ATOM 20 NE2 GLN A 2 8.024 -11.605 2.403 1.00 0.00 N ATOM 0 HA GLN A 2 10.579 -9.831 1.895 1.00 0.00 H new ATOM 0 HB2 GLN A 2 12.180 -12.041 1.809 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.200 -12.441 3.206 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.981 -11.679 0.540 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.453 -13.324 0.918 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.411 -10.662 2.359 1.00 0.00 H new ATOM 0 HE22 GLN A 2 7.080 -11.752 2.759 1.00 0.00 H new ATOM 29 N GLU A 3 11.001 -10.526 5.101 1.00 0.00 N ATOM 30 CA GLU A 3 10.418 -10.439 6.437 1.00 0.00 C ATOM 31 C GLU A 3 9.909 -9.030 6.747 1.00 0.00 C ATOM 32 O GLU A 3 8.833 -8.863 7.325 1.00 0.00 O ATOM 33 CB GLU A 3 11.518 -10.790 7.438 1.00 0.00 C ATOM 34 CG GLU A 3 10.964 -10.997 8.854 1.00 0.00 C ATOM 35 CD GLU A 3 12.082 -11.179 9.875 1.00 0.00 C ATOM 36 OE1 GLU A 3 12.987 -10.313 9.951 1.00 0.00 O ATOM 37 OE2 GLU A 3 12.072 -12.146 10.664 1.00 0.00 O ATOM 0 H GLU A 3 11.947 -10.908 5.104 1.00 0.00 H new ATOM 0 HA GLU A 3 9.570 -11.121 6.499 1.00 0.00 H new ATOM 0 HB2 GLU A 3 12.028 -11.697 7.112 1.00 0.00 H new ATOM 0 HB3 GLU A 3 12.262 -9.993 7.453 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.351 -10.140 9.134 1.00 0.00 H new ATOM 0 HG3 GLU A 3 10.314 -11.872 8.866 1.00 0.00 H new ATOM 44 N VAL A 4 10.694 -8.023 6.363 1.00 0.00 N ATOM 45 CA VAL A 4 10.370 -6.624 6.573 1.00 0.00 C ATOM 46 C VAL A 4 9.217 -6.223 5.655 1.00 0.00 C ATOM 47 O VAL A 4 8.383 -5.431 6.072 1.00 0.00 O ATOM 48 CB VAL A 4 11.595 -5.732 6.316 1.00 0.00 C ATOM 49 CG1 VAL A 4 11.262 -4.261 6.600 1.00 0.00 C ATOM 50 CG2 VAL A 4 12.833 -6.092 7.137 1.00 0.00 C ATOM 0 H VAL A 4 11.586 -8.166 5.890 1.00 0.00 H new ATOM 0 HA VAL A 4 10.068 -6.486 7.611 1.00 0.00 H new ATOM 0 HB VAL A 4 11.836 -5.900 5.266 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.142 -3.646 6.412 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.449 -3.940 5.949 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.958 -4.151 7.641 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.646 -5.409 6.888 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.602 -6.010 8.199 1.00 0.00 H new ATOM 0 HG23 VAL A 4 13.136 -7.114 6.910 1.00 0.00 H new ATOM 60 N MET A 5 9.122 -6.766 4.436 1.00 0.00 N ATOM 61 CA MET A 5 7.956 -6.554 3.573 1.00 0.00 C ATOM 62 C MET A 5 6.694 -6.991 4.336 1.00 0.00 C ATOM 63 O MET A 5 5.740 -6.222 4.465 1.00 0.00 O ATOM 64 CB MET A 5 8.115 -7.322 2.247 1.00 0.00 C ATOM 65 CG MET A 5 7.483 -6.663 1.018 1.00 0.00 C ATOM 66 SD MET A 5 5.702 -6.338 1.091 1.00 0.00 S ATOM 67 CE MET A 5 5.823 -4.579 1.497 1.00 0.00 C ATOM 0 H MET A 5 9.843 -7.358 4.024 1.00 0.00 H new ATOM 0 HA MET A 5 7.867 -5.498 3.318 1.00 0.00 H new ATOM 0 HB2 MET A 5 9.179 -7.462 2.055 1.00 0.00 H new ATOM 0 HB3 MET A 5 7.680 -8.314 2.369 1.00 0.00 H new ATOM 0 HG2 MET A 5 7.994 -5.717 0.839 1.00 0.00 H new ATOM 0 HG3 MET A 5 7.677 -7.298 0.154 1.00 0.00 H new ATOM 0 HE1 MET A 5 4.897 -4.076 1.217 1.00 0.00 H new ATOM 0 HE2 MET A 5 5.989 -4.463 2.568 1.00 0.00 H new ATOM 0 HE3 MET A 5 6.656 -4.136 0.951 1.00 0.00 H new ATOM 77 N LYS A 6 6.735 -8.200 4.907 1.00 0.00 N ATOM 78 CA LYS A 6 5.651 -8.798 5.680 1.00 0.00 C ATOM 79 C LYS A 6 5.280 -7.897 6.856 1.00 0.00 C ATOM 80 O LYS A 6 4.109 -7.561 7.038 1.00 0.00 O ATOM 81 CB LYS A 6 6.093 -10.197 6.150 1.00 0.00 C ATOM 82 CG LYS A 6 4.953 -11.226 6.158 1.00 0.00 C ATOM 83 CD LYS A 6 5.074 -12.205 4.981 1.00 0.00 C ATOM 84 CE LYS A 6 4.109 -13.381 5.165 1.00 0.00 C ATOM 85 NZ LYS A 6 4.341 -14.438 4.162 1.00 0.00 N ATOM 0 H LYS A 6 7.553 -8.806 4.839 1.00 0.00 H new ATOM 0 HA LYS A 6 4.759 -8.902 5.062 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.891 -10.555 5.500 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.510 -10.120 7.154 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.967 -11.780 7.097 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.994 -10.710 6.107 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.855 -11.689 4.046 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.097 -12.573 4.909 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.228 -13.796 6.166 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.082 -13.025 5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.670 -15.217 4.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.203 -14.048 3.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.313 -14.795 4.253 1.00 0.00 H new ATOM 99 N ASN A 7 6.279 -7.499 7.646 1.00 0.00 N ATOM 100 CA ASN A 7 6.133 -6.671 8.839 1.00 0.00 C ATOM 101 C ASN A 7 5.618 -5.274 8.512 1.00 0.00 C ATOM 102 O ASN A 7 4.742 -4.762 9.207 1.00 0.00 O ATOM 103 CB ASN A 7 7.503 -6.532 9.508 1.00 0.00 C ATOM 104 CG ASN A 7 7.434 -5.693 10.777 1.00 0.00 C ATOM 105 OD1 ASN A 7 6.440 -5.688 11.497 1.00 0.00 O ATOM 106 ND2 ASN A 7 8.483 -4.955 11.060 1.00 0.00 N ATOM 0 H ASN A 7 7.249 -7.756 7.463 1.00 0.00 H new ATOM 0 HA ASN A 7 5.409 -7.156 9.494 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.892 -7.522 9.748 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.204 -6.075 8.809 1.00 0.00 H new ATOM 0 HD21 ASN A 7 8.481 -4.364 11.891 1.00 0.00 H new ATOM 0 HD22 ASN A 7 9.299 -4.973 10.449 1.00 0.00 H new ATOM 113 N LEU A 8 6.151 -4.649 7.462 1.00 0.00 N ATOM 114 CA LEU A 8 5.691 -3.367 6.953 1.00 0.00 C ATOM 115 C LEU A 8 4.214 -3.482 6.658 1.00 0.00 C ATOM 116 O LEU A 8 3.438 -2.700 7.186 1.00 0.00 O ATOM 117 CB LEU A 8 6.444 -2.946 5.680 1.00 0.00 C ATOM 118 CG LEU A 8 7.762 -2.210 5.948 1.00 0.00 C ATOM 119 CD1 LEU A 8 8.591 -2.144 4.662 1.00 0.00 C ATOM 120 CD2 LEU A 8 7.506 -0.780 6.428 1.00 0.00 C ATOM 0 H LEU A 8 6.933 -5.034 6.932 1.00 0.00 H new ATOM 0 HA LEU A 8 5.883 -2.602 7.706 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.651 -3.834 5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.796 -2.304 5.083 1.00 0.00 H new ATOM 0 HG LEU A 8 8.298 -2.759 6.722 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.526 -1.620 4.859 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.807 -3.155 4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.030 -1.610 3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.458 -0.282 6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.951 -0.234 5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.926 -0.804 7.351 1.00 0.00 H new ATOM 132 N SER A 9 3.818 -4.482 5.875 1.00 0.00 N ATOM 133 CA SER A 9 2.429 -4.720 5.533 1.00 0.00 C ATOM 134 C SER A 9 1.561 -4.955 6.781 1.00 0.00 C ATOM 135 O SER A 9 0.430 -4.469 6.843 1.00 0.00 O ATOM 136 CB SER A 9 2.389 -5.887 4.540 1.00 0.00 C ATOM 137 OG SER A 9 1.140 -5.991 3.901 1.00 0.00 O ATOM 0 H SER A 9 4.463 -5.154 5.459 1.00 0.00 H new ATOM 0 HA SER A 9 1.996 -3.837 5.063 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.170 -5.753 3.791 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.607 -6.817 5.065 1.00 0.00 H new ATOM 0 HG SER A 9 1.155 -6.745 3.275 1.00 0.00 H new ATOM 143 N LEU A 10 2.094 -5.621 7.813 1.00 0.00 N ATOM 144 CA LEU A 10 1.377 -5.949 9.030 1.00 0.00 C ATOM 145 C LEU A 10 1.040 -4.667 9.755 1.00 0.00 C ATOM 146 O LEU A 10 -0.096 -4.450 10.179 1.00 0.00 O ATOM 147 CB LEU A 10 2.229 -6.869 9.927 1.00 0.00 C ATOM 148 CG LEU A 10 1.479 -7.343 11.182 1.00 0.00 C ATOM 149 CD1 LEU A 10 0.273 -8.223 10.829 1.00 0.00 C ATOM 150 CD2 LEU A 10 2.423 -8.109 12.109 1.00 0.00 C ATOM 0 H LEU A 10 3.059 -5.950 7.815 1.00 0.00 H new ATOM 0 HA LEU A 10 0.459 -6.482 8.782 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.547 -7.738 9.350 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.132 -6.339 10.228 1.00 0.00 H new ATOM 0 HG LEU A 10 1.109 -6.454 11.693 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.229 -8.537 11.744 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.422 -7.656 10.210 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.612 -9.103 10.282 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.877 -8.438 12.993 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.822 -8.977 11.585 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.244 -7.458 12.411 1.00 0.00 H new ATOM 162 N ASN A 11 2.070 -3.845 9.924 1.00 0.00 N ATOM 163 CA ASN A 11 1.993 -2.650 10.727 1.00 0.00 C ATOM 164 C ASN A 11 1.272 -1.536 9.976 1.00 0.00 C ATOM 165 O ASN A 11 0.489 -0.791 10.557 1.00 0.00 O ATOM 166 CB ASN A 11 3.392 -2.258 11.193 1.00 0.00 C ATOM 167 CG ASN A 11 3.683 -2.934 12.526 1.00 0.00 C ATOM 168 OD1 ASN A 11 3.111 -2.573 13.553 1.00 0.00 O ATOM 169 ND2 ASN A 11 4.502 -3.969 12.565 1.00 0.00 N ATOM 0 H ASN A 11 2.985 -3.999 9.500 1.00 0.00 H new ATOM 0 HA ASN A 11 1.397 -2.840 11.619 1.00 0.00 H new ATOM 0 HB2 ASN A 11 4.132 -2.556 10.451 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.464 -1.175 11.297 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.657 -4.464 13.443 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.980 -4.274 11.717 1.00 0.00 H new ATOM 176 N PHE A 12 1.451 -1.485 8.658 1.00 0.00 N ATOM 177 CA PHE A 12 0.673 -0.674 7.739 1.00 0.00 C ATOM 178 C PHE A 12 -0.812 -0.970 7.932 1.00 0.00 C ATOM 179 O PHE A 12 -1.598 -0.059 8.172 1.00 0.00 O ATOM 180 CB PHE A 12 1.144 -0.964 6.308 1.00 0.00 C ATOM 181 CG PHE A 12 0.364 -0.304 5.195 1.00 0.00 C ATOM 182 CD1 PHE A 12 0.732 0.976 4.745 1.00 0.00 C ATOM 183 CD2 PHE A 12 -0.698 -0.987 4.574 1.00 0.00 C ATOM 184 CE1 PHE A 12 0.011 1.589 3.709 1.00 0.00 C ATOM 185 CE2 PHE A 12 -1.396 -0.386 3.514 1.00 0.00 C ATOM 186 CZ PHE A 12 -1.054 0.910 3.097 1.00 0.00 C ATOM 0 H PHE A 12 2.172 -2.031 8.187 1.00 0.00 H new ATOM 0 HA PHE A 12 0.820 0.388 7.934 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.186 -0.657 6.223 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.116 -2.042 6.151 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.569 1.487 5.197 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.976 -1.974 4.913 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.276 2.584 3.382 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.195 -0.920 3.020 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.612 1.386 2.304 1.00 0.00 H new ATOM 196 N GLY A 13 -1.196 -2.249 7.897 1.00 0.00 N ATOM 197 CA GLY A 13 -2.576 -2.684 8.025 1.00 0.00 C ATOM 198 C GLY A 13 -3.194 -2.520 9.414 1.00 0.00 C ATOM 199 O GLY A 13 -4.344 -2.929 9.580 1.00 0.00 O ATOM 0 H GLY A 13 -0.539 -3.020 7.776 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.181 -2.128 7.310 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.635 -3.735 7.743 1.00 0.00 H new ATOM 203 N LYS A 14 -2.489 -1.970 10.412 1.00 0.00 N ATOM 204 CA LYS A 14 -2.992 -1.825 11.782 1.00 0.00 C ATOM 205 C LYS A 14 -4.273 -0.997 11.799 1.00 0.00 C ATOM 206 O LYS A 14 -5.325 -1.526 12.149 1.00 0.00 O ATOM 207 CB LYS A 14 -1.913 -1.217 12.691 1.00 0.00 C ATOM 208 CG LYS A 14 -0.759 -2.184 12.966 1.00 0.00 C ATOM 209 CD LYS A 14 -1.019 -3.080 14.165 1.00 0.00 C ATOM 210 CE LYS A 14 0.122 -4.092 14.292 1.00 0.00 C ATOM 211 NZ LYS A 14 -0.001 -4.943 15.492 1.00 0.00 N ATOM 0 H LYS A 14 -1.543 -1.610 10.288 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.234 -2.814 12.172 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.521 -0.312 12.227 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.366 -0.920 13.637 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.591 -2.803 12.085 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.155 -1.614 13.134 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.093 -2.481 15.073 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.970 -3.599 14.047 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.142 -4.724 13.404 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.072 -3.559 14.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.797 -5.609 15.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.007 -4.346 16.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.894 -5.474 15.451 1.00 0.00 H new ATOM 225 N ALA A 15 -4.206 0.259 11.340 1.00 0.00 N ATOM 226 CA ALA A 15 -5.315 1.214 11.384 1.00 0.00 C ATOM 227 C ALA A 15 -6.487 0.850 10.451 1.00 0.00 C ATOM 228 O ALA A 15 -7.383 1.670 10.252 1.00 0.00 O ATOM 229 CB ALA A 15 -4.791 2.632 11.086 1.00 0.00 C ATOM 0 H ALA A 15 -3.361 0.645 10.919 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.726 1.175 12.393 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.619 3.340 11.119 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.046 2.909 11.832 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.337 2.651 10.095 1.00 0.00 H new ATOM 235 N LEU A 16 -6.496 -0.337 9.834 1.00 0.00 N ATOM 236 CA LEU A 16 -7.484 -0.716 8.832 1.00 0.00 C ATOM 237 C LEU A 16 -8.891 -0.673 9.417 1.00 0.00 C ATOM 238 O LEU A 16 -9.782 -0.127 8.785 1.00 0.00 O ATOM 239 CB LEU A 16 -7.168 -2.119 8.287 1.00 0.00 C ATOM 240 CG LEU A 16 -8.210 -2.626 7.273 1.00 0.00 C ATOM 241 CD1 LEU A 16 -8.298 -1.728 6.038 1.00 0.00 C ATOM 242 CD2 LEU A 16 -7.869 -4.047 6.824 1.00 0.00 C ATOM 0 H LEU A 16 -5.808 -1.066 10.022 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.439 -0.001 8.010 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.187 -2.105 7.813 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.110 -2.820 9.119 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.175 -2.611 7.780 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.046 -2.126 5.352 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.582 -0.720 6.340 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.329 -1.697 5.541 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.615 -4.391 6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.885 -4.054 6.355 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.864 -4.710 7.689 1.00 0.00 H new ATOM 254 N ASP A 17 -9.098 -1.245 10.599 1.00 0.00 N ATOM 255 CA ASP A 17 -10.391 -1.333 11.292 1.00 0.00 C ATOM 256 C ASP A 17 -10.934 0.059 11.621 1.00 0.00 C ATOM 257 O ASP A 17 -12.139 0.304 11.574 1.00 0.00 O ATOM 258 CB ASP A 17 -10.095 -2.066 12.609 1.00 0.00 C ATOM 259 CG ASP A 17 -11.318 -2.626 13.342 1.00 0.00 C ATOM 260 OD1 ASP A 17 -12.009 -1.846 14.033 1.00 0.00 O ATOM 261 OD2 ASP A 17 -11.485 -3.864 13.339 1.00 0.00 O ATOM 0 H ASP A 17 -8.341 -1.680 11.127 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.131 -1.841 10.673 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.410 -2.888 12.401 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.575 -1.380 13.278 1.00 0.00 H new ATOM 266 N GLU A 18 -10.038 0.998 11.924 1.00 0.00 N ATOM 267 CA GLU A 18 -10.405 2.398 12.120 1.00 0.00 C ATOM 268 C GLU A 18 -10.888 2.972 10.784 1.00 0.00 C ATOM 269 O GLU A 18 -12.008 3.474 10.720 1.00 0.00 O ATOM 270 CB GLU A 18 -9.265 3.219 12.726 1.00 0.00 C ATOM 271 CG GLU A 18 -9.032 2.879 14.208 1.00 0.00 C ATOM 272 CD GLU A 18 -9.646 3.896 15.190 1.00 0.00 C ATOM 273 OE1 GLU A 18 -9.033 4.977 15.376 1.00 0.00 O ATOM 274 OE2 GLU A 18 -10.666 3.600 15.849 1.00 0.00 O ATOM 0 H GLU A 18 -9.042 0.810 12.040 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.216 2.454 12.846 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.349 3.037 12.164 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.492 4.281 12.629 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.450 1.893 14.414 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.959 2.815 14.391 1.00 0.00 H new ATOM 281 N CYS A 19 -10.099 2.843 9.706 1.00 0.00 N ATOM 282 CA CYS A 19 -10.465 3.282 8.356 1.00 0.00 C ATOM 283 C CYS A 19 -11.779 2.638 7.882 1.00 0.00 C ATOM 284 O CYS A 19 -12.595 3.289 7.231 1.00 0.00 O ATOM 285 CB CYS A 19 -9.333 2.972 7.363 1.00 0.00 C ATOM 286 SG CYS A 19 -7.780 3.868 7.632 1.00 0.00 S ATOM 0 H CYS A 19 -9.171 2.422 9.752 1.00 0.00 H new ATOM 0 HA CYS A 19 -10.619 4.360 8.395 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -9.125 1.903 7.401 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.688 3.192 6.356 1.00 0.00 H new ATOM 291 N LYS A 20 -12.022 1.366 8.213 1.00 0.00 N ATOM 292 CA LYS A 20 -13.219 0.626 7.862 1.00 0.00 C ATOM 293 C LYS A 20 -14.467 1.293 8.401 1.00 0.00 C ATOM 294 O LYS A 20 -15.498 1.258 7.734 1.00 0.00 O ATOM 295 CB LYS A 20 -13.135 -0.768 8.474 1.00 0.00 C ATOM 296 CG LYS A 20 -12.333 -1.782 7.675 1.00 0.00 C ATOM 297 CD LYS A 20 -12.254 -3.066 8.495 1.00 0.00 C ATOM 298 CE LYS A 20 -12.421 -4.302 7.645 1.00 0.00 C ATOM 299 NZ LYS A 20 -11.151 -4.788 7.088 1.00 0.00 N ATOM 0 H LYS A 20 -11.359 0.810 8.754 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.280 0.586 6.774 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.696 -0.684 9.468 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.147 -1.151 8.604 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.808 -1.972 6.713 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.334 -1.400 7.467 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.293 -3.108 9.008 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.026 -3.051 9.265 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.875 -5.091 8.245 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.111 -4.085 6.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.343 -5.414 6.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.579 -3.979 6.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.631 -5.315 7.818 1.00 0.00 H new ATOM 313 N LYS A 21 -14.410 1.832 9.613 1.00 0.00 N ATOM 314 CA LYS A 21 -15.555 2.524 10.193 1.00 0.00 C ATOM 315 C LYS A 21 -15.539 4.010 9.871 1.00 0.00 C ATOM 316 O LYS A 21 -16.607 4.572 9.673 1.00 0.00 O ATOM 317 CB LYS A 21 -15.607 2.219 11.686 1.00 0.00 C ATOM 318 CG LYS A 21 -16.271 0.848 11.912 1.00 0.00 C ATOM 319 CD LYS A 21 -15.617 0.005 13.008 1.00 0.00 C ATOM 320 CE LYS A 21 -15.884 0.534 14.422 1.00 0.00 C ATOM 321 NZ LYS A 21 -15.202 1.816 14.690 1.00 0.00 N ATOM 0 H LYS A 21 -13.585 1.804 10.212 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.478 2.157 9.745 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.600 2.219 12.102 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.167 2.996 12.207 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.320 1.003 12.166 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.249 0.288 10.977 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.983 -1.019 12.936 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.541 -0.028 12.837 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.957 0.663 14.561 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.555 -0.207 15.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.080 1.937 15.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.270 1.817 14.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.775 2.599 14.315 1.00 0.00 H new ATOM 335 N GLU A 22 -14.375 4.645 9.717 1.00 0.00 N ATOM 336 CA GLU A 22 -14.271 6.032 9.252 1.00 0.00 C ATOM 337 C GLU A 22 -15.016 6.204 7.926 1.00 0.00 C ATOM 338 O GLU A 22 -15.759 7.165 7.736 1.00 0.00 O ATOM 339 CB GLU A 22 -12.799 6.413 9.027 1.00 0.00 C ATOM 340 CG GLU A 22 -12.010 6.785 10.283 1.00 0.00 C ATOM 341 CD GLU A 22 -11.653 8.271 10.265 1.00 0.00 C ATOM 342 OE1 GLU A 22 -12.535 9.110 10.594 1.00 0.00 O ATOM 343 OE2 GLU A 22 -10.501 8.625 9.945 1.00 0.00 O ATOM 0 H GLU A 22 -13.473 4.210 9.912 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.710 6.674 10.015 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.297 5.577 8.539 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.762 7.254 8.335 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.599 6.556 11.171 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.101 6.186 10.340 1.00 0.00 H new ATOM 350 N MET A 23 -14.788 5.277 6.996 1.00 0.00 N ATOM 351 CA MET A 23 -15.097 5.454 5.583 1.00 0.00 C ATOM 352 C MET A 23 -16.142 4.447 5.107 1.00 0.00 C ATOM 353 O MET A 23 -16.430 4.405 3.910 1.00 0.00 O ATOM 354 CB MET A 23 -13.807 5.287 4.774 1.00 0.00 C ATOM 355 CG MET A 23 -12.637 6.145 5.255 1.00 0.00 C ATOM 356 SD MET A 23 -11.042 5.383 4.920 1.00 0.00 S ATOM 357 CE MET A 23 -10.958 5.551 3.127 1.00 0.00 C ATOM 0 H MET A 23 -14.377 4.368 7.210 1.00 0.00 H new ATOM 0 HA MET A 23 -15.512 6.451 5.437 1.00 0.00 H new ATOM 0 HB2 MET A 23 -13.508 4.239 4.804 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.014 5.530 3.732 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.680 7.119 4.768 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.735 6.320 6.326 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.516 4.652 2.698 1.00 0.00 H new ATOM 0 HE2 MET A 23 -11.963 5.688 2.727 1.00 0.00 H new ATOM 0 HE3 MET A 23 -10.344 6.415 2.871 1.00 0.00 H new ATOM 367 N THR A 24 -16.672 3.626 6.017 1.00 0.00 N ATOM 368 CA THR A 24 -17.547 2.501 5.734 1.00 0.00 C ATOM 369 C THR A 24 -16.941 1.599 4.645 1.00 0.00 C ATOM 370 O THR A 24 -17.372 1.614 3.490 1.00 0.00 O ATOM 371 CB THR A 24 -18.965 3.019 5.431 1.00 0.00 C ATOM 372 OG1 THR A 24 -19.404 3.885 6.471 1.00 0.00 O ATOM 373 CG2 THR A 24 -19.945 1.855 5.337 1.00 0.00 C ATOM 0 H THR A 24 -16.491 3.738 7.014 1.00 0.00 H new ATOM 0 HA THR A 24 -17.640 1.856 6.608 1.00 0.00 H new ATOM 0 HB THR A 24 -18.932 3.557 4.483 1.00 0.00 H new ATOM 0 HG1 THR A 24 -20.306 4.210 6.267 1.00 0.00 H new ATOM 0 HG21 THR A 24 -20.943 2.236 5.122 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.634 1.181 4.538 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.959 1.314 6.283 1.00 0.00 H new ATOM 381 N LEU A 25 -15.906 0.822 4.988 1.00 0.00 N ATOM 382 CA LEU A 25 -15.256 -0.128 4.088 1.00 0.00 C ATOM 383 C LEU A 25 -15.555 -1.518 4.628 1.00 0.00 C ATOM 384 O LEU A 25 -15.404 -1.767 5.830 1.00 0.00 O ATOM 385 CB LEU A 25 -13.742 0.115 3.960 1.00 0.00 C ATOM 386 CG LEU A 25 -13.333 1.589 3.811 1.00 0.00 C ATOM 387 CD1 LEU A 25 -11.817 1.697 3.666 1.00 0.00 C ATOM 388 CD2 LEU A 25 -14.006 2.266 2.608 1.00 0.00 C ATOM 0 H LEU A 25 -15.491 0.840 5.920 1.00 0.00 H new ATOM 0 HA LEU A 25 -15.646 -0.007 3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -13.247 -0.297 4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.372 -0.439 3.097 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.666 2.105 4.712 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.535 2.745 3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.336 1.279 4.550 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.496 1.145 2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.683 3.305 2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.724 1.745 1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.089 2.229 2.728 1.00 0.00 H new ATOM 400 N THR A 26 -16.027 -2.389 3.746 1.00 0.00 N ATOM 401 CA THR A 26 -16.612 -3.676 4.072 1.00 0.00 C ATOM 402 C THR A 26 -15.551 -4.630 4.617 1.00 0.00 C ATOM 403 O THR A 26 -14.350 -4.382 4.499 1.00 0.00 O ATOM 404 CB THR A 26 -17.301 -4.208 2.802 1.00 0.00 C ATOM 405 OG1 THR A 26 -16.361 -4.341 1.752 1.00 0.00 O ATOM 406 CG2 THR A 26 -18.371 -3.220 2.328 1.00 0.00 C ATOM 0 H THR A 26 -16.010 -2.207 2.742 1.00 0.00 H new ATOM 0 HA THR A 26 -17.355 -3.581 4.864 1.00 0.00 H new ATOM 0 HB THR A 26 -17.745 -5.173 3.046 1.00 0.00 H new ATOM 0 HG1 THR A 26 -16.811 -4.682 0.951 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.851 -3.607 1.429 1.00 0.00 H new ATOM 0 HG22 THR A 26 -19.118 -3.089 3.111 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.906 -2.259 2.106 1.00 0.00 H new ATOM 414 N ASP A 27 -15.966 -5.754 5.202 1.00 0.00 N ATOM 415 CA ASP A 27 -14.992 -6.720 5.701 1.00 0.00 C ATOM 416 C ASP A 27 -14.429 -7.579 4.573 1.00 0.00 C ATOM 417 O ASP A 27 -13.431 -8.268 4.771 1.00 0.00 O ATOM 418 CB ASP A 27 -15.588 -7.597 6.799 1.00 0.00 C ATOM 419 CG ASP A 27 -14.583 -7.725 7.937 1.00 0.00 C ATOM 420 OD1 ASP A 27 -14.229 -6.670 8.512 1.00 0.00 O ATOM 421 OD2 ASP A 27 -14.149 -8.850 8.264 1.00 0.00 O ATOM 0 H ASP A 27 -16.943 -6.012 5.339 1.00 0.00 H new ATOM 0 HA ASP A 27 -14.169 -6.151 6.134 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.517 -7.161 7.166 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -15.833 -8.582 6.402 1.00 0.00 H new ATOM 426 N ALA A 28 -15.031 -7.502 3.381 1.00 0.00 N ATOM 427 CA ALA A 28 -14.552 -8.141 2.163 1.00 0.00 C ATOM 428 C ALA A 28 -13.109 -7.742 1.851 1.00 0.00 C ATOM 429 O ALA A 28 -12.354 -8.543 1.315 1.00 0.00 O ATOM 430 CB ALA A 28 -15.456 -7.749 0.989 1.00 0.00 C ATOM 0 H ALA A 28 -15.893 -6.975 3.239 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.580 -9.220 2.314 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -15.097 -8.227 0.078 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.477 -8.074 1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.438 -6.667 0.862 1.00 0.00 H new ATOM 436 N ILE A 29 -12.696 -6.528 2.224 1.00 0.00 N ATOM 437 CA ILE A 29 -11.344 -6.050 1.990 1.00 0.00 C ATOM 438 C ILE A 29 -10.312 -6.847 2.776 1.00 0.00 C ATOM 439 O ILE A 29 -9.156 -6.884 2.375 1.00 0.00 O ATOM 440 CB ILE A 29 -11.219 -4.541 2.288 1.00 0.00 C ATOM 441 CG1 ILE A 29 -11.223 -4.224 3.797 1.00 0.00 C ATOM 442 CG2 ILE A 29 -12.271 -3.754 1.488 1.00 0.00 C ATOM 443 CD1 ILE A 29 -11.510 -2.759 4.134 1.00 0.00 C ATOM 0 H ILE A 29 -13.296 -5.853 2.697 1.00 0.00 H new ATOM 0 HA ILE A 29 -11.135 -6.203 0.931 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.238 -4.208 1.949 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.970 -4.850 4.285 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.255 -4.498 4.216 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -12.173 -2.691 1.706 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.117 -3.921 0.422 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -13.269 -4.092 1.768 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.494 -2.625 5.216 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.749 -2.125 3.678 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -12.491 -2.483 3.749 1.00 0.00 H new ATOM 455 N ASN A 30 -10.691 -7.499 3.880 1.00 0.00 N ATOM 456 CA ASN A 30 -9.779 -8.395 4.555 1.00 0.00 C ATOM 457 C ASN A 30 -9.417 -9.545 3.641 1.00 0.00 C ATOM 458 O ASN A 30 -8.293 -10.015 3.739 1.00 0.00 O ATOM 459 CB ASN A 30 -10.399 -8.941 5.836 1.00 0.00 C ATOM 460 CG ASN A 30 -10.439 -7.895 6.927 1.00 0.00 C ATOM 461 OD1 ASN A 30 -9.470 -7.171 7.153 1.00 0.00 O ATOM 462 ND2 ASN A 30 -11.585 -7.694 7.545 1.00 0.00 N ATOM 0 H ASN A 30 -11.612 -7.418 4.311 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.881 -7.834 4.814 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.410 -9.291 5.630 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.827 -9.803 6.179 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.675 -6.933 8.218 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.382 -8.300 7.351 1.00 0.00 H new ATOM 469 N GLU A 31 -10.323 -9.970 2.760 1.00 0.00 N ATOM 470 CA GLU A 31 -10.064 -11.009 1.785 1.00 0.00 C ATOM 471 C GLU A 31 -9.249 -10.501 0.597 1.00 0.00 C ATOM 472 O GLU A 31 -8.780 -11.333 -0.181 1.00 0.00 O ATOM 473 CB GLU A 31 -11.389 -11.627 1.300 1.00 0.00 C ATOM 474 CG GLU A 31 -11.504 -13.068 1.793 1.00 0.00 C ATOM 475 CD GLU A 31 -12.345 -13.902 0.841 1.00 0.00 C ATOM 476 OE1 GLU A 31 -13.575 -13.680 0.793 1.00 0.00 O ATOM 477 OE2 GLU A 31 -11.790 -14.857 0.255 1.00 0.00 O ATOM 0 H GLU A 31 -11.269 -9.591 2.710 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.467 -11.775 2.280 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.230 -11.040 1.668 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.435 -11.602 0.211 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.510 -13.506 1.885 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.951 -13.082 2.787 1.00 0.00 H new ATOM 484 N ASP A 32 -9.068 -9.188 0.428 1.00 0.00 N ATOM 485 CA ASP A 32 -7.957 -8.665 -0.371 1.00 0.00 C ATOM 486 C ASP A 32 -6.686 -8.829 0.463 1.00 0.00 C ATOM 487 O ASP A 32 -5.927 -9.746 0.194 1.00 0.00 O ATOM 488 CB ASP A 32 -8.220 -7.229 -0.855 1.00 0.00 C ATOM 489 CG ASP A 32 -7.053 -6.615 -1.638 1.00 0.00 C ATOM 490 OD1 ASP A 32 -6.062 -7.313 -1.926 1.00 0.00 O ATOM 491 OD2 ASP A 32 -7.094 -5.392 -1.905 1.00 0.00 O ATOM 0 H ASP A 32 -9.672 -8.472 0.831 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.840 -9.226 -1.298 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.110 -7.225 -1.485 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.438 -6.599 0.008 1.00 0.00 H new ATOM 496 N PHE A 33 -6.509 -8.058 1.544 1.00 0.00 N ATOM 497 CA PHE A 33 -5.279 -8.011 2.353 1.00 0.00 C ATOM 498 C PHE A 33 -4.771 -9.380 2.846 1.00 0.00 C ATOM 499 O PHE A 33 -3.584 -9.524 3.136 1.00 0.00 O ATOM 500 CB PHE A 33 -5.542 -7.096 3.565 1.00 0.00 C ATOM 501 CG PHE A 33 -5.774 -5.622 3.256 1.00 0.00 C ATOM 502 CD1 PHE A 33 -4.733 -4.835 2.732 1.00 0.00 C ATOM 503 CD2 PHE A 33 -7.023 -5.023 3.504 1.00 0.00 C ATOM 504 CE1 PHE A 33 -4.947 -3.482 2.421 1.00 0.00 C ATOM 505 CE2 PHE A 33 -7.245 -3.672 3.179 1.00 0.00 C ATOM 506 CZ PHE A 33 -6.206 -2.900 2.635 1.00 0.00 C ATOM 0 H PHE A 33 -7.236 -7.432 1.891 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.491 -7.630 1.704 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.413 -7.476 4.098 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.693 -7.174 4.244 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.760 -5.275 2.567 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.818 -5.605 3.947 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.141 -2.888 2.016 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.215 -3.229 3.348 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.375 -1.864 2.383 1.00 0.00 H new ATOM 516 N TYR A 34 -5.640 -10.379 2.992 1.00 0.00 N ATOM 517 CA TYR A 34 -5.301 -11.764 3.292 1.00 0.00 C ATOM 518 C TYR A 34 -4.680 -12.424 2.058 1.00 0.00 C ATOM 519 O TYR A 34 -3.554 -12.919 2.120 1.00 0.00 O ATOM 520 CB TYR A 34 -6.591 -12.473 3.737 1.00 0.00 C ATOM 521 CG TYR A 34 -6.585 -13.983 3.812 1.00 0.00 C ATOM 522 CD1 TYR A 34 -5.515 -14.682 4.397 1.00 0.00 C ATOM 523 CD2 TYR A 34 -7.690 -14.688 3.303 1.00 0.00 C ATOM 524 CE1 TYR A 34 -5.522 -16.088 4.421 1.00 0.00 C ATOM 525 CE2 TYR A 34 -7.709 -16.089 3.325 1.00 0.00 C ATOM 526 CZ TYR A 34 -6.610 -16.794 3.860 1.00 0.00 C ATOM 527 OH TYR A 34 -6.589 -18.150 3.769 1.00 0.00 O ATOM 0 H TYR A 34 -6.646 -10.235 2.900 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.564 -11.829 4.092 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.858 -12.091 4.722 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.387 -12.176 3.054 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.687 -14.139 4.828 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.529 -14.146 2.893 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.699 -16.626 4.867 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.560 -16.626 2.934 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.422 -18.463 3.358 1.00 0.00 H new ATOM 537 N ASN A 35 -5.423 -12.437 0.948 1.00 0.00 N ATOM 538 CA ASN A 35 -5.080 -13.121 -0.294 1.00 0.00 C ATOM 539 C ASN A 35 -4.248 -12.237 -1.225 1.00 0.00 C ATOM 540 O ASN A 35 -4.051 -12.595 -2.381 1.00 0.00 O ATOM 541 CB ASN A 35 -6.349 -13.565 -1.031 1.00 0.00 C ATOM 542 CG ASN A 35 -7.138 -14.639 -0.305 1.00 0.00 C ATOM 543 OD1 ASN A 35 -6.616 -15.707 0.001 1.00 0.00 O ATOM 544 ND2 ASN A 35 -8.414 -14.400 -0.059 1.00 0.00 N ATOM 0 H ASN A 35 -6.317 -11.949 0.892 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.483 -13.991 -0.021 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.991 -12.697 -1.184 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.073 -13.935 -2.018 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.988 -15.111 0.395 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.825 -13.505 -0.323 1.00 0.00 H new ATOM 551 N PHE A 36 -3.741 -11.095 -0.769 1.00 0.00 N ATOM 552 CA PHE A 36 -2.908 -10.206 -1.568 1.00 0.00 C ATOM 553 C PHE A 36 -1.727 -11.006 -2.155 1.00 0.00 C ATOM 554 O PHE A 36 -1.393 -10.856 -3.329 1.00 0.00 O ATOM 555 CB PHE A 36 -2.511 -9.026 -0.667 1.00 0.00 C ATOM 556 CG PHE A 36 -1.727 -7.903 -1.315 1.00 0.00 C ATOM 557 CD1 PHE A 36 -2.383 -6.916 -2.074 1.00 0.00 C ATOM 558 CD2 PHE A 36 -0.349 -7.789 -1.075 1.00 0.00 C ATOM 559 CE1 PHE A 36 -1.666 -5.812 -2.576 1.00 0.00 C ATOM 560 CE2 PHE A 36 0.354 -6.671 -1.554 1.00 0.00 C ATOM 561 CZ PHE A 36 -0.291 -5.687 -2.310 1.00 0.00 C ATOM 0 H PHE A 36 -3.901 -10.758 0.180 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.427 -9.792 -2.433 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.421 -8.603 -0.241 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.922 -9.416 0.163 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.441 -7.005 -2.273 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.170 -8.559 -0.523 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.172 -5.062 -3.165 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.407 -6.570 -1.335 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.262 -4.839 -2.686 1.00 0.00 H new ATOM 571 N TRP A 37 -1.197 -11.975 -1.399 1.00 0.00 N ATOM 572 CA TRP A 37 -0.161 -12.914 -1.830 1.00 0.00 C ATOM 573 C TRP A 37 -0.710 -14.302 -2.232 1.00 0.00 C ATOM 574 O TRP A 37 -0.032 -15.317 -2.057 1.00 0.00 O ATOM 575 CB TRP A 37 0.919 -13.005 -0.746 1.00 0.00 C ATOM 576 CG TRP A 37 1.444 -11.698 -0.243 1.00 0.00 C ATOM 577 CD1 TRP A 37 1.328 -11.259 1.029 1.00 0.00 C ATOM 578 CD2 TRP A 37 2.115 -10.630 -0.982 1.00 0.00 C ATOM 579 NE1 TRP A 37 1.911 -10.019 1.140 1.00 0.00 N ATOM 580 CE2 TRP A 37 2.425 -9.587 -0.061 1.00 0.00 C ATOM 581 CE3 TRP A 37 2.436 -10.395 -2.337 1.00 0.00 C ATOM 582 CZ2 TRP A 37 3.009 -8.381 -0.466 1.00 0.00 C ATOM 583 CZ3 TRP A 37 2.985 -9.179 -2.761 1.00 0.00 C ATOM 584 CH2 TRP A 37 3.270 -8.176 -1.831 1.00 0.00 C ATOM 0 H TRP A 37 -1.491 -12.130 -0.435 1.00 0.00 H new ATOM 0 HA TRP A 37 0.282 -12.524 -2.746 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.514 -13.562 0.099 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.755 -13.584 -1.139 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.851 -11.798 1.834 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.957 -9.484 2.007 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.253 -11.172 -3.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.255 -7.620 0.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 3.189 -9.016 -3.809 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.693 -7.239 -2.163 1.00 0.00 H new ATOM 595 N LYS A 38 -1.934 -14.412 -2.766 1.00 0.00 N ATOM 596 CA LYS A 38 -2.362 -15.622 -3.441 1.00 0.00 C ATOM 597 C LYS A 38 -1.634 -15.739 -4.771 1.00 0.00 C ATOM 598 O LYS A 38 -1.024 -14.787 -5.277 1.00 0.00 O ATOM 599 CB LYS A 38 -3.880 -15.615 -3.655 1.00 0.00 C ATOM 600 CG LYS A 38 -4.604 -16.624 -2.761 1.00 0.00 C ATOM 601 CD LYS A 38 -6.064 -16.773 -3.197 1.00 0.00 C ATOM 602 CE LYS A 38 -6.764 -17.864 -2.390 1.00 0.00 C ATOM 603 NZ LYS A 38 -8.210 -17.906 -2.689 1.00 0.00 N ATOM 0 H LYS A 38 -2.637 -13.673 -2.738 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.117 -16.484 -2.820 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.267 -14.616 -3.456 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.097 -15.839 -4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.102 -17.590 -2.812 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.560 -16.296 -1.722 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.586 -15.825 -3.065 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.108 -17.015 -4.259 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.315 -18.831 -2.616 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.615 -17.684 -1.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.659 -18.656 -2.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.641 -16.990 -2.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.350 -18.101 -3.701 1.00 0.00 H new ATOM 617 N GLU A 39 -1.773 -16.912 -5.366 1.00 0.00 N ATOM 618 CA GLU A 39 -1.316 -17.255 -6.681 1.00 0.00 C ATOM 619 C GLU A 39 -2.310 -16.634 -7.672 1.00 0.00 C ATOM 620 O GLU A 39 -3.336 -17.235 -7.997 1.00 0.00 O ATOM 621 CB GLU A 39 -1.210 -18.785 -6.722 1.00 0.00 C ATOM 622 CG GLU A 39 -1.061 -19.315 -8.140 1.00 0.00 C ATOM 623 CD GLU A 39 -0.012 -20.421 -8.229 1.00 0.00 C ATOM 624 OE1 GLU A 39 -0.293 -21.563 -7.809 1.00 0.00 O ATOM 625 OE2 GLU A 39 1.085 -20.164 -8.787 1.00 0.00 O ATOM 0 H GLU A 39 -2.240 -17.693 -4.904 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.333 -16.868 -6.949 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.355 -19.104 -6.125 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.098 -19.221 -6.265 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.021 -19.697 -8.487 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.784 -18.498 -8.805 1.00 0.00 H new ATOM 632 N GLY A 40 -2.033 -15.405 -8.111 1.00 0.00 N ATOM 633 CA GLY A 40 -2.741 -14.764 -9.211 1.00 0.00 C ATOM 634 C GLY A 40 -4.050 -14.093 -8.808 1.00 0.00 C ATOM 635 O GLY A 40 -4.833 -13.754 -9.696 1.00 0.00 O ATOM 0 H GLY A 40 -1.301 -14.823 -7.705 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.088 -14.018 -9.662 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.950 -15.510 -9.977 1.00 0.00 H new ATOM 639 N TYR A 41 -4.326 -13.902 -7.515 1.00 0.00 N ATOM 640 CA TYR A 41 -5.523 -13.202 -7.077 1.00 0.00 C ATOM 641 C TYR A 41 -5.505 -11.789 -7.637 1.00 0.00 C ATOM 642 O TYR A 41 -4.470 -11.116 -7.621 1.00 0.00 O ATOM 643 CB TYR A 41 -5.566 -13.180 -5.552 1.00 0.00 C ATOM 644 CG TYR A 41 -6.748 -12.470 -4.917 1.00 0.00 C ATOM 645 CD1 TYR A 41 -6.817 -11.061 -4.889 1.00 0.00 C ATOM 646 CD2 TYR A 41 -7.748 -13.234 -4.284 1.00 0.00 C ATOM 647 CE1 TYR A 41 -7.837 -10.427 -4.158 1.00 0.00 C ATOM 648 CE2 TYR A 41 -8.759 -12.608 -3.537 1.00 0.00 C ATOM 649 CZ TYR A 41 -8.784 -11.199 -3.448 1.00 0.00 C ATOM 650 OH TYR A 41 -9.691 -10.591 -2.639 1.00 0.00 O ATOM 0 H TYR A 41 -3.729 -14.227 -6.754 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.414 -13.713 -7.441 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -5.555 -14.210 -5.196 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.652 -12.709 -5.192 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.089 -10.472 -5.427 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -7.737 -14.310 -4.374 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.897 -9.349 -4.139 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -9.511 -13.199 -3.035 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.563 -10.896 -1.717 1.00 0.00 H new ATOM 660 N GLU A 42 -6.675 -11.331 -8.073 1.00 0.00 N ATOM 661 CA GLU A 42 -6.897 -10.000 -8.557 1.00 0.00 C ATOM 662 C GLU A 42 -7.817 -9.232 -7.615 1.00 0.00 C ATOM 663 O GLU A 42 -8.683 -9.781 -6.932 1.00 0.00 O ATOM 664 CB GLU A 42 -7.495 -10.091 -9.967 1.00 0.00 C ATOM 665 CG GLU A 42 -8.932 -10.604 -9.883 1.00 0.00 C ATOM 666 CD GLU A 42 -9.539 -11.065 -11.196 1.00 0.00 C ATOM 667 OE1 GLU A 42 -9.524 -10.281 -12.174 1.00 0.00 O ATOM 668 OE2 GLU A 42 -10.149 -12.156 -11.210 1.00 0.00 O ATOM 0 H GLU A 42 -7.515 -11.909 -8.094 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.954 -9.456 -8.598 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.475 -9.112 -10.445 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.895 -10.759 -10.585 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.962 -11.434 -9.177 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.558 -9.813 -9.471 1.00 0.00 H new ATOM 675 N ILE A 43 -7.687 -7.923 -7.674 1.00 0.00 N ATOM 676 CA ILE A 43 -8.102 -6.947 -6.689 1.00 0.00 C ATOM 677 C ILE A 43 -8.854 -5.874 -7.471 1.00 0.00 C ATOM 678 O ILE A 43 -8.275 -5.264 -8.373 1.00 0.00 O ATOM 679 CB ILE A 43 -6.841 -6.381 -5.994 1.00 0.00 C ATOM 680 CG1 ILE A 43 -5.977 -7.456 -5.296 1.00 0.00 C ATOM 681 CG2 ILE A 43 -7.295 -5.303 -4.999 1.00 0.00 C ATOM 682 CD1 ILE A 43 -4.568 -6.983 -4.929 1.00 0.00 C ATOM 0 H ILE A 43 -7.251 -7.477 -8.481 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.741 -7.361 -5.909 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.191 -5.958 -6.760 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.486 -7.784 -4.390 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.898 -8.325 -5.950 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.425 -4.885 -4.493 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.818 -4.511 -5.534 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.965 -5.747 -4.262 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.027 -7.795 -4.444 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.038 -6.683 -5.833 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.635 -6.134 -4.249 1.00 0.00 H new ATOM 694 N LYS A 44 -10.152 -5.681 -7.198 1.00 0.00 N ATOM 695 CA LYS A 44 -10.971 -4.700 -7.913 1.00 0.00 C ATOM 696 C LYS A 44 -11.923 -3.921 -7.003 1.00 0.00 C ATOM 697 O LYS A 44 -12.431 -2.880 -7.427 1.00 0.00 O ATOM 698 CB LYS A 44 -11.786 -5.366 -9.033 1.00 0.00 C ATOM 699 CG LYS A 44 -10.939 -6.000 -10.146 1.00 0.00 C ATOM 700 CD LYS A 44 -10.596 -7.475 -9.890 1.00 0.00 C ATOM 701 CE LYS A 44 -11.724 -8.405 -10.345 1.00 0.00 C ATOM 702 NZ LYS A 44 -12.492 -9.048 -9.262 1.00 0.00 N ATOM 0 H LYS A 44 -10.658 -6.198 -6.479 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.261 -3.989 -8.337 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.421 -6.135 -8.594 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.447 -4.621 -9.476 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.476 -5.919 -11.091 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.014 -5.434 -10.255 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.677 -7.732 -10.417 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.406 -7.626 -8.827 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.414 -7.834 -10.967 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.297 -9.184 -10.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.230 -9.655 -9.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.853 -9.625 -8.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.936 -8.317 -8.670 1.00 0.00 H new ATOM 716 N ASN A 45 -12.186 -4.403 -5.784 1.00 0.00 N ATOM 717 CA ASN A 45 -13.007 -3.736 -4.769 1.00 0.00 C ATOM 718 C ASN A 45 -12.477 -2.332 -4.562 1.00 0.00 C ATOM 719 O ASN A 45 -11.399 -2.190 -3.985 1.00 0.00 O ATOM 720 CB ASN A 45 -12.893 -4.470 -3.426 1.00 0.00 C ATOM 721 CG ASN A 45 -13.944 -5.531 -3.232 1.00 0.00 C ATOM 722 OD1 ASN A 45 -13.673 -6.712 -3.423 1.00 0.00 O ATOM 723 ND2 ASN A 45 -15.136 -5.127 -2.848 1.00 0.00 N ATOM 0 H ASN A 45 -11.820 -5.300 -5.466 1.00 0.00 H new ATOM 0 HA ASN A 45 -14.044 -3.729 -5.105 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.907 -4.929 -3.354 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.967 -3.744 -2.616 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -15.881 -5.807 -2.697 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -15.315 -4.134 -2.701 1.00 0.00 H new ATOM 730 N ARG A 46 -13.205 -1.287 -4.977 1.00 0.00 N ATOM 731 CA ARG A 46 -12.744 0.071 -4.803 1.00 0.00 C ATOM 732 C ARG A 46 -12.473 0.339 -3.308 1.00 0.00 C ATOM 733 O ARG A 46 -11.640 1.183 -2.964 1.00 0.00 O ATOM 734 CB ARG A 46 -13.778 1.018 -5.431 1.00 0.00 C ATOM 735 CG ARG A 46 -13.359 2.447 -5.125 1.00 0.00 C ATOM 736 CD ARG A 46 -14.095 3.527 -5.916 1.00 0.00 C ATOM 737 NE ARG A 46 -15.402 3.822 -5.356 1.00 0.00 N ATOM 738 CZ ARG A 46 -15.738 4.872 -4.606 1.00 0.00 C ATOM 739 NH1 ARG A 46 -14.894 5.877 -4.391 1.00 0.00 N ATOM 740 NH2 ARG A 46 -16.951 4.882 -4.077 1.00 0.00 N ATOM 0 H ARG A 46 -14.113 -1.370 -5.434 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.797 0.245 -5.313 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.833 0.860 -6.508 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.771 0.818 -5.028 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.510 2.632 -4.062 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.290 2.544 -5.317 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.494 4.437 -5.931 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.209 3.203 -6.950 1.00 0.00 H new ATOM 0 HE ARG A 46 -16.144 3.153 -5.559 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.962 5.857 -4.804 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.179 6.667 -3.813 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -17.589 4.105 -4.249 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.248 5.667 -3.497 1.00 0.00 H new ATOM 754 N GLU A 47 -13.155 -0.394 -2.421 1.00 0.00 N ATOM 755 CA GLU A 47 -13.002 -0.296 -0.982 1.00 0.00 C ATOM 756 C GLU A 47 -11.565 -0.565 -0.545 1.00 0.00 C ATOM 757 O GLU A 47 -11.097 0.087 0.388 1.00 0.00 O ATOM 758 CB GLU A 47 -13.946 -1.270 -0.245 1.00 0.00 C ATOM 759 CG GLU A 47 -15.436 -1.094 -0.553 1.00 0.00 C ATOM 760 CD GLU A 47 -15.942 -1.995 -1.689 1.00 0.00 C ATOM 761 OE1 GLU A 47 -15.176 -2.329 -2.614 1.00 0.00 O ATOM 762 OE2 GLU A 47 -17.153 -2.335 -1.656 1.00 0.00 O ATOM 0 H GLU A 47 -13.846 -1.089 -2.702 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.265 0.728 -0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.658 -2.290 -0.497 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.797 -1.152 0.828 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.012 -1.303 0.349 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.623 -0.053 -0.816 1.00 0.00 H new ATOM 769 N THR A 48 -10.861 -1.503 -1.185 1.00 0.00 N ATOM 770 CA THR A 48 -9.521 -1.871 -0.758 1.00 0.00 C ATOM 771 C THR A 48 -8.571 -0.737 -1.138 1.00 0.00 C ATOM 772 O THR A 48 -7.774 -0.293 -0.316 1.00 0.00 O ATOM 773 CB THR A 48 -9.088 -3.243 -1.313 1.00 0.00 C ATOM 774 OG1 THR A 48 -8.678 -3.207 -2.657 1.00 0.00 O ATOM 775 CG2 THR A 48 -10.146 -4.349 -1.217 1.00 0.00 C ATOM 0 H THR A 48 -11.201 -2.016 -1.998 1.00 0.00 H new ATOM 0 HA THR A 48 -9.498 -1.998 0.324 1.00 0.00 H new ATOM 0 HB THR A 48 -8.252 -3.482 -0.656 1.00 0.00 H new ATOM 0 HG1 THR A 48 -8.014 -3.910 -2.815 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.745 -5.273 -1.633 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.413 -4.507 -0.172 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.033 -4.054 -1.777 1.00 0.00 H new ATOM 783 N GLY A 49 -8.741 -0.172 -2.337 1.00 0.00 N ATOM 784 CA GLY A 49 -7.948 0.948 -2.816 1.00 0.00 C ATOM 785 C GLY A 49 -8.066 2.154 -1.890 1.00 0.00 C ATOM 786 O GLY A 49 -7.064 2.804 -1.585 1.00 0.00 O ATOM 0 H GLY A 49 -9.444 -0.488 -3.005 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.903 0.648 -2.893 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.275 1.224 -3.818 1.00 0.00 H new ATOM 790 N CYS A 50 -9.283 2.455 -1.418 1.00 0.00 N ATOM 791 CA CYS A 50 -9.446 3.528 -0.449 1.00 0.00 C ATOM 792 C CYS A 50 -8.872 3.150 0.915 1.00 0.00 C ATOM 793 O CYS A 50 -8.285 4.009 1.568 1.00 0.00 O ATOM 794 CB CYS A 50 -10.898 4.005 -0.338 1.00 0.00 C ATOM 795 SG CYS A 50 -10.984 5.763 -0.755 1.00 0.00 S ATOM 0 H CYS A 50 -10.145 1.980 -1.687 1.00 0.00 H new ATOM 0 HA CYS A 50 -8.869 4.373 -0.825 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.534 3.429 -1.010 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.270 3.841 0.673 1.00 0.00 H new ATOM 800 N ALA A 51 -9.003 1.893 1.352 1.00 0.00 N ATOM 801 CA ALA A 51 -8.415 1.446 2.609 1.00 0.00 C ATOM 802 C ALA A 51 -6.907 1.692 2.607 1.00 0.00 C ATOM 803 O ALA A 51 -6.392 2.272 3.556 1.00 0.00 O ATOM 804 CB ALA A 51 -8.721 -0.031 2.862 1.00 0.00 C ATOM 0 H ALA A 51 -9.514 1.168 0.848 1.00 0.00 H new ATOM 0 HA ALA A 51 -8.860 2.024 3.419 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.271 -0.339 3.806 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.800 -0.176 2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.310 -0.632 2.051 1.00 0.00 H new ATOM 810 N ILE A 52 -6.216 1.300 1.537 1.00 0.00 N ATOM 811 CA ILE A 52 -4.785 1.515 1.339 1.00 0.00 C ATOM 812 C ILE A 52 -4.477 3.009 1.478 1.00 0.00 C ATOM 813 O ILE A 52 -3.619 3.385 2.272 1.00 0.00 O ATOM 814 CB ILE A 52 -4.381 0.933 -0.034 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.552 -0.600 -0.034 1.00 0.00 C ATOM 816 CG2 ILE A 52 -2.935 1.253 -0.429 1.00 0.00 C ATOM 817 CD1 ILE A 52 -4.584 -1.190 -1.441 1.00 0.00 C ATOM 0 H ILE A 52 -6.653 0.807 0.758 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.194 0.999 2.096 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.040 1.405 -0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.734 -1.053 0.527 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.475 -0.858 0.485 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.718 0.814 -1.403 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.802 2.334 -0.480 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.254 0.839 0.315 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.706 -2.271 -1.379 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.418 -0.762 -1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.650 -0.959 -1.954 1.00 0.00 H new ATOM 829 N MET A 53 -5.202 3.866 0.755 1.00 0.00 N ATOM 830 CA MET A 53 -5.004 5.314 0.786 1.00 0.00 C ATOM 831 C MET A 53 -5.198 5.893 2.196 1.00 0.00 C ATOM 832 O MET A 53 -4.450 6.781 2.620 1.00 0.00 O ATOM 833 CB MET A 53 -5.967 5.938 -0.229 1.00 0.00 C ATOM 834 CG MET A 53 -5.659 7.407 -0.536 1.00 0.00 C ATOM 835 SD MET A 53 -6.732 8.634 0.264 1.00 0.00 S ATOM 836 CE MET A 53 -8.343 8.078 -0.354 1.00 0.00 C ATOM 0 H MET A 53 -5.949 3.570 0.127 1.00 0.00 H new ATOM 0 HA MET A 53 -3.975 5.553 0.516 1.00 0.00 H new ATOM 0 HB2 MET A 53 -5.928 5.365 -1.155 1.00 0.00 H new ATOM 0 HB3 MET A 53 -6.985 5.860 0.152 1.00 0.00 H new ATOM 0 HG2 MET A 53 -4.629 7.610 -0.243 1.00 0.00 H new ATOM 0 HG3 MET A 53 -5.718 7.551 -1.615 1.00 0.00 H new ATOM 0 HE1 MET A 53 -8.929 8.941 -0.671 1.00 0.00 H new ATOM 0 HE2 MET A 53 -8.196 7.408 -1.201 1.00 0.00 H new ATOM 0 HE3 MET A 53 -8.874 7.550 0.438 1.00 0.00 H new ATOM 846 N CYS A 54 -6.175 5.375 2.949 1.00 0.00 N ATOM 847 CA CYS A 54 -6.376 5.731 4.348 1.00 0.00 C ATOM 848 C CYS A 54 -5.196 5.277 5.196 1.00 0.00 C ATOM 849 O CYS A 54 -4.696 6.058 5.992 1.00 0.00 O ATOM 850 CB CYS A 54 -7.677 5.144 4.888 1.00 0.00 C ATOM 851 SG CYS A 54 -8.053 5.604 6.604 1.00 0.00 S ATOM 0 H CYS A 54 -6.849 4.694 2.598 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.447 6.817 4.405 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.499 5.467 4.250 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.627 4.057 4.819 1.00 0.00 H new ATOM 856 N LEU A 55 -4.716 4.046 5.034 1.00 0.00 N ATOM 857 CA LEU A 55 -3.582 3.544 5.800 1.00 0.00 C ATOM 858 C LEU A 55 -2.354 4.417 5.531 1.00 0.00 C ATOM 859 O LEU A 55 -1.760 4.922 6.481 1.00 0.00 O ATOM 860 CB LEU A 55 -3.325 2.065 5.476 1.00 0.00 C ATOM 861 CG LEU A 55 -4.419 1.115 6.003 1.00 0.00 C ATOM 862 CD1 LEU A 55 -4.188 -0.295 5.453 1.00 0.00 C ATOM 863 CD2 LEU A 55 -4.491 1.099 7.534 1.00 0.00 C ATOM 0 H LEU A 55 -5.101 3.373 4.371 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.806 3.600 6.865 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.244 1.948 4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.365 1.771 5.901 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.381 1.488 5.651 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.963 -0.963 5.828 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.225 -0.271 4.364 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.211 -0.656 5.775 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.277 0.415 7.854 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.535 0.769 7.940 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.713 2.102 7.898 1.00 0.00 H new ATOM 875 N SER A 56 -2.017 4.689 4.265 1.00 0.00 N ATOM 876 CA SER A 56 -0.950 5.617 3.904 1.00 0.00 C ATOM 877 C SER A 56 -1.152 6.987 4.564 1.00 0.00 C ATOM 878 O SER A 56 -0.218 7.495 5.184 1.00 0.00 O ATOM 879 CB SER A 56 -0.850 5.744 2.381 1.00 0.00 C ATOM 880 OG SER A 56 -0.442 4.519 1.807 1.00 0.00 O ATOM 0 H SER A 56 -2.482 4.267 3.461 1.00 0.00 H new ATOM 0 HA SER A 56 -0.008 5.215 4.278 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.815 6.041 1.971 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.139 6.528 2.122 1.00 0.00 H new ATOM 0 HG SER A 56 -0.385 4.617 0.834 1.00 0.00 H new ATOM 886 N THR A 57 -2.359 7.559 4.499 1.00 0.00 N ATOM 887 CA THR A 57 -2.700 8.789 5.207 1.00 0.00 C ATOM 888 C THR A 57 -2.364 8.673 6.699 1.00 0.00 C ATOM 889 O THR A 57 -1.659 9.514 7.254 1.00 0.00 O ATOM 890 CB THR A 57 -4.194 9.104 5.016 1.00 0.00 C ATOM 891 OG1 THR A 57 -4.465 9.429 3.663 1.00 0.00 O ATOM 892 CG2 THR A 57 -4.625 10.205 5.982 1.00 0.00 C ATOM 0 H THR A 57 -3.128 7.176 3.949 1.00 0.00 H new ATOM 0 HA THR A 57 -2.108 9.604 4.792 1.00 0.00 H new ATOM 0 HB THR A 57 -4.785 8.219 5.251 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.481 8.609 3.126 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.684 10.421 5.839 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.457 9.876 7.007 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.042 11.106 5.790 1.00 0.00 H new ATOM 900 N LYS A 58 -2.901 7.657 7.374 1.00 0.00 N ATOM 901 CA LYS A 58 -2.812 7.528 8.818 1.00 0.00 C ATOM 902 C LYS A 58 -1.366 7.330 9.280 1.00 0.00 C ATOM 903 O LYS A 58 -1.058 7.550 10.450 1.00 0.00 O ATOM 904 CB LYS A 58 -3.720 6.410 9.302 1.00 0.00 C ATOM 905 CG LYS A 58 -5.211 6.725 9.068 1.00 0.00 C ATOM 906 CD LYS A 58 -6.032 6.549 10.346 1.00 0.00 C ATOM 907 CE LYS A 58 -7.496 6.933 10.120 1.00 0.00 C ATOM 908 NZ LYS A 58 -7.745 8.384 10.181 1.00 0.00 N ATOM 0 H LYS A 58 -3.413 6.897 6.925 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.155 8.460 9.267 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.461 5.485 8.786 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.549 6.241 10.365 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.315 7.748 8.707 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.604 6.071 8.290 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.972 5.513 10.680 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.610 7.165 11.140 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.814 6.560 9.147 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.112 6.436 10.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.767 8.558 10.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.262 8.784 11.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.381 8.835 9.318 1.00 0.00 H new ATOM 922 N LEU A 59 -0.468 6.939 8.374 1.00 0.00 N ATOM 923 CA LEU A 59 0.960 6.769 8.621 1.00 0.00 C ATOM 924 C LEU A 59 1.746 8.022 8.181 1.00 0.00 C ATOM 925 O LEU A 59 2.973 7.979 8.089 1.00 0.00 O ATOM 926 CB LEU A 59 1.448 5.500 7.894 1.00 0.00 C ATOM 927 CG LEU A 59 0.750 4.205 8.372 1.00 0.00 C ATOM 928 CD1 LEU A 59 0.904 3.122 7.305 1.00 0.00 C ATOM 929 CD2 LEU A 59 1.279 3.678 9.713 1.00 0.00 C ATOM 0 H LEU A 59 -0.728 6.724 7.411 1.00 0.00 H new ATOM 0 HA LEU A 59 1.136 6.647 9.690 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.282 5.618 6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.523 5.398 8.040 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.299 4.456 8.528 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.413 2.209 7.640 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.447 3.460 6.375 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.963 2.924 7.138 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.743 2.769 9.984 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.343 3.459 9.624 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.128 4.432 10.485 1.00 0.00 H new ATOM 941 N ASN A 60 1.058 9.135 7.894 1.00 0.00 N ATOM 942 CA ASN A 60 1.544 10.412 7.362 1.00 0.00 C ATOM 943 C ASN A 60 2.362 10.235 6.082 1.00 0.00 C ATOM 944 O ASN A 60 3.337 10.956 5.871 1.00 0.00 O ATOM 945 CB ASN A 60 2.291 11.267 8.407 1.00 0.00 C ATOM 946 CG ASN A 60 1.460 11.659 9.606 1.00 0.00 C ATOM 947 OD1 ASN A 60 0.243 11.822 9.532 1.00 0.00 O ATOM 948 ND2 ASN A 60 2.102 11.829 10.745 1.00 0.00 N ATOM 0 H ASN A 60 0.049 9.165 8.044 1.00 0.00 H new ATOM 0 HA ASN A 60 0.649 10.975 7.098 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.165 10.715 8.752 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.657 12.172 7.923 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.589 12.100 11.584 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.112 11.689 10.787 1.00 0.00 H new ATOM 955 N MET A 61 2.021 9.264 5.228 1.00 0.00 N ATOM 956 CA MET A 61 2.771 9.050 3.988 1.00 0.00 C ATOM 957 C MET A 61 2.307 9.972 2.862 1.00 0.00 C ATOM 958 O MET A 61 2.904 9.925 1.792 1.00 0.00 O ATOM 959 CB MET A 61 2.795 7.573 3.547 1.00 0.00 C ATOM 960 CG MET A 61 3.769 6.777 4.421 1.00 0.00 C ATOM 961 SD MET A 61 4.293 5.162 3.770 1.00 0.00 S ATOM 962 CE MET A 61 2.795 4.196 3.994 1.00 0.00 C ATOM 0 H MET A 61 1.241 8.622 5.370 1.00 0.00 H new ATOM 0 HA MET A 61 3.803 9.319 4.216 1.00 0.00 H new ATOM 0 HB2 MET A 61 1.795 7.147 3.623 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.093 7.503 2.501 1.00 0.00 H new ATOM 0 HG2 MET A 61 4.658 7.386 4.585 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.306 6.620 5.395 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.001 3.149 3.774 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.452 4.290 5.025 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.021 4.563 3.320 1.00 0.00 H new ATOM 972 N LEU A 62 1.299 10.822 3.067 1.00 0.00 N ATOM 973 CA LEU A 62 0.922 11.853 2.109 1.00 0.00 C ATOM 974 C LEU A 62 1.407 13.194 2.633 1.00 0.00 C ATOM 975 O LEU A 62 1.229 13.542 3.804 1.00 0.00 O ATOM 976 CB LEU A 62 -0.583 11.832 1.797 1.00 0.00 C ATOM 977 CG LEU A 62 -1.055 10.480 1.228 1.00 0.00 C ATOM 978 CD1 LEU A 62 -2.559 10.536 0.953 1.00 0.00 C ATOM 979 CD2 LEU A 62 -0.326 10.107 -0.071 1.00 0.00 C ATOM 0 H LEU A 62 0.721 10.811 3.907 1.00 0.00 H new ATOM 0 HA LEU A 62 1.403 11.659 1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.141 12.053 2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.812 12.622 1.082 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.826 9.718 1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.891 9.579 0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.091 10.744 1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.768 11.325 0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.694 9.147 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.511 10.873 -0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.745 10.037 0.120 1.00 0.00 H new ATOM 1053 N LEU A 68 2.603 11.652 -2.271 1.00 0.00 N ATOM 1054 CA LEU A 68 3.557 10.787 -1.554 1.00 0.00 C ATOM 1055 C LEU A 68 4.670 11.592 -0.879 1.00 0.00 C ATOM 1056 O LEU A 68 5.587 12.092 -1.526 1.00 0.00 O ATOM 1057 CB LEU A 68 4.131 9.649 -2.432 1.00 0.00 C ATOM 1058 CG LEU A 68 4.806 8.509 -1.630 1.00 0.00 C ATOM 1059 CD1 LEU A 68 3.805 7.652 -0.849 1.00 0.00 C ATOM 1060 CD2 LEU A 68 5.501 7.545 -2.599 1.00 0.00 C ATOM 0 HA LEU A 68 2.978 10.302 -0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.326 9.228 -3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.859 10.071 -3.125 1.00 0.00 H new ATOM 0 HG LEU A 68 5.493 8.997 -0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.339 6.871 -0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.264 8.279 -0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.099 7.195 -1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.976 6.742 -2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.764 7.122 -3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.257 8.085 -3.169 1.00 0.00 H new ATOM 1072 N HIS A 69 4.616 11.688 0.445 1.00 0.00 N ATOM 1073 CA HIS A 69 5.648 12.274 1.282 1.00 0.00 C ATOM 1074 C HIS A 69 6.902 11.405 1.213 1.00 0.00 C ATOM 1075 O HIS A 69 7.039 10.493 2.026 1.00 0.00 O ATOM 1076 CB HIS A 69 5.109 12.374 2.718 1.00 0.00 C ATOM 1077 CG HIS A 69 5.931 13.168 3.698 1.00 0.00 C ATOM 1078 ND1 HIS A 69 7.265 13.508 3.625 1.00 0.00 N ATOM 1079 CD2 HIS A 69 5.439 13.677 4.863 1.00 0.00 C ATOM 1080 CE1 HIS A 69 7.584 14.161 4.757 1.00 0.00 C ATOM 1081 NE2 HIS A 69 6.499 14.289 5.545 1.00 0.00 N ATOM 0 H HIS A 69 3.820 11.345 0.982 1.00 0.00 H new ATOM 0 HA HIS A 69 5.913 13.274 0.938 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.112 12.813 2.677 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.996 11.363 3.110 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.415 13.619 5.200 1.00 0.00 H new ATOM 0 HE1 HIS A 69 8.570 14.530 4.999 1.00 0.00 H new ATOM 0 HE2 HIS A 69 6.457 14.742 6.458 1.00 0.00 H new ATOM 1089 N HIS A 70 7.835 11.720 0.304 1.00 0.00 N ATOM 1090 CA HIS A 70 9.117 11.024 0.153 1.00 0.00 C ATOM 1091 C HIS A 70 9.734 10.732 1.522 1.00 0.00 C ATOM 1092 O HIS A 70 10.103 9.596 1.822 1.00 0.00 O ATOM 1093 CB HIS A 70 10.114 11.865 -0.663 1.00 0.00 C ATOM 1094 CG HIS A 70 9.633 12.355 -2.004 1.00 0.00 C ATOM 1095 ND1 HIS A 70 9.110 13.601 -2.278 1.00 0.00 N ATOM 1096 CD2 HIS A 70 9.591 11.630 -3.163 1.00 0.00 C ATOM 1097 CE1 HIS A 70 8.716 13.610 -3.559 1.00 0.00 C ATOM 1098 NE2 HIS A 70 9.022 12.442 -4.146 1.00 0.00 N ATOM 0 H HIS A 70 7.715 12.484 -0.361 1.00 0.00 H new ATOM 0 HA HIS A 70 8.918 10.090 -0.373 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.401 12.730 -0.065 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.015 11.272 -0.819 1.00 0.00 H new ATOM 0 HD2 HIS A 70 9.935 10.615 -3.294 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.224 14.437 -4.048 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.868 12.195 -5.124 1.00 0.00 H new ATOM 1106 N GLY A 71 9.796 11.777 2.355 1.00 0.00 N ATOM 1107 CA GLY A 71 10.302 11.739 3.712 1.00 0.00 C ATOM 1108 C GLY A 71 9.671 10.631 4.538 1.00 0.00 C ATOM 1109 O GLY A 71 10.355 9.669 4.891 1.00 0.00 O ATOM 0 H GLY A 71 9.479 12.707 2.080 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.383 11.600 3.689 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.114 12.699 4.193 1.00 0.00 H new ATOM 1113 N ASN A 72 8.391 10.771 4.896 1.00 0.00 N ATOM 1114 CA ASN A 72 7.812 9.849 5.865 1.00 0.00 C ATOM 1115 C ASN A 72 7.532 8.474 5.264 1.00 0.00 C ATOM 1116 O ASN A 72 7.564 7.490 5.994 1.00 0.00 O ATOM 1117 CB ASN A 72 6.563 10.420 6.543 1.00 0.00 C ATOM 1118 CG ASN A 72 6.462 9.926 7.985 1.00 0.00 C ATOM 1119 OD1 ASN A 72 7.435 9.954 8.738 1.00 0.00 O ATOM 1120 ND2 ASN A 72 5.307 9.486 8.439 1.00 0.00 N ATOM 0 H ASN A 72 7.759 11.489 4.542 1.00 0.00 H new ATOM 0 HA ASN A 72 8.568 9.717 6.639 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.600 11.509 6.528 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.673 10.123 5.988 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.225 9.173 9.406 1.00 0.00 H new ATOM 0 HD22 ASN A 72 4.494 9.459 7.823 1.00 0.00 H new ATOM 1127 N ALA A 73 7.319 8.382 3.947 1.00 0.00 N ATOM 1128 CA ALA A 73 7.273 7.124 3.211 1.00 0.00 C ATOM 1129 C ALA A 73 8.579 6.336 3.413 1.00 0.00 C ATOM 1130 O ALA A 73 8.537 5.128 3.673 1.00 0.00 O ATOM 1131 CB ALA A 73 6.984 7.410 1.733 1.00 0.00 C ATOM 0 H ALA A 73 7.171 9.199 3.355 1.00 0.00 H new ATOM 0 HA ALA A 73 6.467 6.498 3.593 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.949 6.471 1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.025 7.920 1.642 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.772 8.042 1.324 1.00 0.00 H new ATOM 1137 N MET A 74 9.736 7.003 3.285 1.00 0.00 N ATOM 1138 CA MET A 74 11.048 6.405 3.476 1.00 0.00 C ATOM 1139 C MET A 74 11.286 6.072 4.944 1.00 0.00 C ATOM 1140 O MET A 74 11.829 5.008 5.245 1.00 0.00 O ATOM 1141 CB MET A 74 12.136 7.366 2.975 1.00 0.00 C ATOM 1142 CG MET A 74 13.515 6.719 3.150 1.00 0.00 C ATOM 1143 SD MET A 74 14.703 7.057 1.841 1.00 0.00 S ATOM 1144 CE MET A 74 13.899 6.101 0.517 1.00 0.00 C ATOM 0 H MET A 74 9.777 7.992 3.041 1.00 0.00 H new ATOM 0 HA MET A 74 11.090 5.478 2.903 1.00 0.00 H new ATOM 0 HB2 MET A 74 11.967 7.607 1.926 1.00 0.00 H new ATOM 0 HB3 MET A 74 12.090 8.304 3.529 1.00 0.00 H new ATOM 0 HG2 MET A 74 13.938 7.057 4.096 1.00 0.00 H new ATOM 0 HG3 MET A 74 13.383 5.640 3.227 1.00 0.00 H new ATOM 0 HE1 MET A 74 14.642 5.486 0.009 1.00 0.00 H new ATOM 0 HE2 MET A 74 13.130 5.459 0.947 1.00 0.00 H new ATOM 0 HE3 MET A 74 13.443 6.784 -0.199 1.00 0.00 H new ATOM 1154 N GLU A 75 10.904 6.968 5.857 1.00 0.00 N ATOM 1155 CA GLU A 75 11.000 6.762 7.277 1.00 0.00 C ATOM 1156 C GLU A 75 10.264 5.490 7.649 1.00 0.00 C ATOM 1157 O GLU A 75 10.871 4.612 8.242 1.00 0.00 O ATOM 1158 CB GLU A 75 10.366 7.985 7.936 1.00 0.00 C ATOM 1159 CG GLU A 75 11.056 8.405 9.211 1.00 0.00 C ATOM 1160 CD GLU A 75 10.737 7.509 10.409 1.00 0.00 C ATOM 1161 OE1 GLU A 75 9.596 7.558 10.933 1.00 0.00 O ATOM 1162 OE2 GLU A 75 11.652 6.840 10.924 1.00 0.00 O ATOM 0 H GLU A 75 10.511 7.876 5.607 1.00 0.00 H new ATOM 0 HA GLU A 75 12.032 6.650 7.608 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.382 8.817 7.232 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.319 7.770 8.152 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.134 8.406 9.047 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.769 9.429 9.448 1.00 0.00 H new ATOM 1169 N PHE A 76 8.996 5.364 7.249 1.00 0.00 N ATOM 1170 CA PHE A 76 8.169 4.214 7.545 1.00 0.00 C ATOM 1171 C PHE A 76 8.876 2.925 7.113 1.00 0.00 C ATOM 1172 O PHE A 76 8.936 1.983 7.902 1.00 0.00 O ATOM 1173 CB PHE A 76 6.788 4.388 6.898 1.00 0.00 C ATOM 1174 CG PHE A 76 5.866 3.220 7.165 1.00 0.00 C ATOM 1175 CD1 PHE A 76 5.420 2.965 8.476 1.00 0.00 C ATOM 1176 CD2 PHE A 76 5.515 2.347 6.121 1.00 0.00 C ATOM 1177 CE1 PHE A 76 4.652 1.813 8.742 1.00 0.00 C ATOM 1178 CE2 PHE A 76 4.732 1.210 6.387 1.00 0.00 C ATOM 1179 CZ PHE A 76 4.313 0.934 7.699 1.00 0.00 C ATOM 0 H PHE A 76 8.516 6.077 6.701 1.00 0.00 H new ATOM 0 HA PHE A 76 8.011 4.135 8.621 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.328 5.302 7.274 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.909 4.511 5.822 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.665 3.649 9.275 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.847 2.550 5.114 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.323 1.605 9.750 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.452 0.548 5.581 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.731 0.048 7.906 1.00 0.00 H new ATOM 1189 N ALA A 77 9.482 2.897 5.920 1.00 0.00 N ATOM 1190 CA ALA A 77 10.287 1.768 5.475 1.00 0.00 C ATOM 1191 C ALA A 77 11.440 1.485 6.453 1.00 0.00 C ATOM 1192 O ALA A 77 11.517 0.407 7.048 1.00 0.00 O ATOM 1193 CB ALA A 77 10.787 1.997 4.042 1.00 0.00 C ATOM 0 H ALA A 77 9.425 3.657 5.242 1.00 0.00 H new ATOM 0 HA ALA A 77 9.659 0.877 5.466 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.387 1.144 3.725 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.934 2.109 3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.396 2.901 4.009 1.00 0.00 H new ATOM 1199 N LYS A 78 12.376 2.426 6.611 1.00 0.00 N ATOM 1200 CA LYS A 78 13.600 2.212 7.379 1.00 0.00 C ATOM 1201 C LYS A 78 13.343 2.011 8.870 1.00 0.00 C ATOM 1202 O LYS A 78 14.099 1.285 9.513 1.00 0.00 O ATOM 1203 CB LYS A 78 14.572 3.371 7.103 1.00 0.00 C ATOM 1204 CG LYS A 78 15.553 3.012 5.962 1.00 0.00 C ATOM 1205 CD LYS A 78 15.451 3.931 4.739 1.00 0.00 C ATOM 1206 CE LYS A 78 16.589 4.950 4.602 1.00 0.00 C ATOM 1207 NZ LYS A 78 16.763 5.841 5.768 1.00 0.00 N ATOM 0 H LYS A 78 12.303 3.360 6.207 1.00 0.00 H new ATOM 0 HA LYS A 78 14.055 1.278 7.049 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.010 4.266 6.836 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.132 3.604 8.009 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.572 3.049 6.348 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.368 1.985 5.648 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.424 3.315 3.840 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.504 4.469 4.785 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.521 4.412 4.430 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.407 5.562 3.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.551 6.496 5.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 15.890 6.385 5.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.970 5.271 6.613 1.00 0.00 H new ATOM 1221 N LYS A 79 12.265 2.566 9.415 1.00 0.00 N ATOM 1222 CA LYS A 79 11.742 2.330 10.760 1.00 0.00 C ATOM 1223 C LYS A 79 11.579 0.828 10.996 1.00 0.00 C ATOM 1224 O LYS A 79 12.008 0.328 12.036 1.00 0.00 O ATOM 1225 CB LYS A 79 10.429 3.123 10.849 1.00 0.00 C ATOM 1226 CG LYS A 79 9.622 3.166 12.151 1.00 0.00 C ATOM 1227 CD LYS A 79 8.312 3.909 11.807 1.00 0.00 C ATOM 1228 CE LYS A 79 7.611 4.610 12.969 1.00 0.00 C ATOM 1229 NZ LYS A 79 7.106 3.693 14.004 1.00 0.00 N ATOM 0 H LYS A 79 11.696 3.236 8.897 1.00 0.00 H new ATOM 0 HA LYS A 79 12.414 2.669 11.548 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.660 4.154 10.582 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.767 2.734 10.075 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.417 2.160 12.518 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.172 3.685 12.936 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.530 4.652 11.040 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.617 3.193 11.369 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.306 5.313 13.428 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.778 5.195 12.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.644 4.241 14.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.418 3.037 13.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.898 3.152 14.405 1.00 0.00 H new ATOM 1243 N HIS A 80 11.036 0.096 10.020 1.00 0.00 N ATOM 1244 CA HIS A 80 10.825 -1.343 10.104 1.00 0.00 C ATOM 1245 C HIS A 80 12.102 -2.138 9.770 1.00 0.00 C ATOM 1246 O HIS A 80 12.065 -3.367 9.741 1.00 0.00 O ATOM 1247 CB HIS A 80 9.633 -1.734 9.214 1.00 0.00 C ATOM 1248 CG HIS A 80 8.334 -1.129 9.699 1.00 0.00 C ATOM 1249 ND1 HIS A 80 8.063 0.211 9.819 1.00 0.00 N ATOM 1250 CD2 HIS A 80 7.234 -1.797 10.157 1.00 0.00 C ATOM 1251 CE1 HIS A 80 6.876 0.346 10.415 1.00 0.00 C ATOM 1252 NE2 HIS A 80 6.316 -0.855 10.629 1.00 0.00 N ATOM 0 H HIS A 80 10.727 0.498 9.135 1.00 0.00 H new ATOM 0 HA HIS A 80 10.585 -1.606 11.134 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.824 -1.409 8.191 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.540 -2.820 9.191 1.00 0.00 H new ATOM 0 HD1 HIS A 80 8.665 0.973 9.507 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.097 -2.868 10.155 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.428 1.290 10.687 1.00 0.00 H new ATOM 1260 N GLY A 81 13.241 -1.483 9.524 1.00 0.00 N ATOM 1261 CA GLY A 81 14.510 -2.132 9.203 1.00 0.00 C ATOM 1262 C GLY A 81 14.632 -2.477 7.718 1.00 0.00 C ATOM 1263 O GLY A 81 15.317 -3.429 7.340 1.00 0.00 O ATOM 0 H GLY A 81 13.305 -0.465 9.544 1.00 0.00 H new ATOM 0 HA2 GLY A 81 15.332 -1.476 9.489 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.608 -3.043 9.794 1.00 0.00 H new ATOM 1267 N ALA A 82 13.923 -1.749 6.855 1.00 0.00 N ATOM 1268 CA ALA A 82 14.038 -1.939 5.422 1.00 0.00 C ATOM 1269 C ALA A 82 15.412 -1.497 4.927 1.00 0.00 C ATOM 1270 O ALA A 82 16.034 -0.602 5.505 1.00 0.00 O ATOM 1271 CB ALA A 82 12.940 -1.144 4.743 1.00 0.00 C ATOM 0 H ALA A 82 13.263 -1.022 7.132 1.00 0.00 H new ATOM 0 HA ALA A 82 13.930 -2.996 5.180 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.011 -1.275 3.663 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.968 -1.497 5.089 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.051 -0.088 4.988 1.00 0.00 H new ATOM 1277 N ASP A 83 15.869 -2.108 3.836 1.00 0.00 N ATOM 1278 CA ASP A 83 17.133 -1.741 3.209 1.00 0.00 C ATOM 1279 C ASP A 83 16.975 -0.394 2.510 1.00 0.00 C ATOM 1280 O ASP A 83 15.866 -0.017 2.129 1.00 0.00 O ATOM 1281 CB ASP A 83 17.610 -2.762 2.172 1.00 0.00 C ATOM 1282 CG ASP A 83 17.450 -4.229 2.556 1.00 0.00 C ATOM 1283 OD1 ASP A 83 18.142 -4.656 3.505 1.00 0.00 O ATOM 1284 OD2 ASP A 83 16.705 -4.970 1.862 1.00 0.00 O ATOM 0 H ASP A 83 15.376 -2.867 3.365 1.00 0.00 H new ATOM 0 HA ASP A 83 17.877 -1.701 4.005 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.066 -2.589 1.244 1.00 0.00 H new ATOM 0 HB3 ASP A 83 18.663 -2.574 1.964 1.00 0.00 H new ATOM 1289 N GLU A 84 18.086 0.295 2.257 1.00 0.00 N ATOM 1290 CA GLU A 84 18.087 1.585 1.581 1.00 0.00 C ATOM 1291 C GLU A 84 17.566 1.470 0.147 1.00 0.00 C ATOM 1292 O GLU A 84 16.636 2.192 -0.202 1.00 0.00 O ATOM 1293 CB GLU A 84 19.493 2.202 1.656 1.00 0.00 C ATOM 1294 CG GLU A 84 19.458 3.705 1.975 1.00 0.00 C ATOM 1295 CD GLU A 84 19.843 4.614 0.804 1.00 0.00 C ATOM 1296 OE1 GLU A 84 19.456 4.346 -0.355 1.00 0.00 O ATOM 1297 OE2 GLU A 84 20.484 5.656 1.070 1.00 0.00 O ATOM 0 H GLU A 84 19.016 -0.031 2.518 1.00 0.00 H new ATOM 0 HA GLU A 84 17.398 2.258 2.091 1.00 0.00 H new ATOM 0 HB2 GLU A 84 20.073 1.685 2.420 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.006 2.047 0.707 1.00 0.00 H new ATOM 0 HG2 GLU A 84 18.454 3.969 2.308 1.00 0.00 H new ATOM 0 HG3 GLU A 84 20.133 3.902 2.808 1.00 0.00 H new ATOM 1304 N THR A 85 18.071 0.514 -0.649 1.00 0.00 N ATOM 1305 CA THR A 85 17.564 0.273 -1.999 1.00 0.00 C ATOM 1306 C THR A 85 16.057 0.001 -1.948 1.00 0.00 C ATOM 1307 O THR A 85 15.299 0.631 -2.682 1.00 0.00 O ATOM 1308 CB THR A 85 18.314 -0.905 -2.651 1.00 0.00 C ATOM 1309 OG1 THR A 85 19.710 -0.671 -2.729 1.00 0.00 O ATOM 1310 CG2 THR A 85 17.812 -1.203 -4.065 1.00 0.00 C ATOM 0 H THR A 85 18.834 -0.105 -0.374 1.00 0.00 H new ATOM 0 HA THR A 85 17.735 1.160 -2.608 1.00 0.00 H new ATOM 0 HB THR A 85 18.116 -1.760 -2.004 1.00 0.00 H new ATOM 0 HG1 THR A 85 20.148 -1.442 -3.147 1.00 0.00 H new ATOM 0 HG21 THR A 85 18.372 -2.041 -4.481 1.00 0.00 H new ATOM 0 HG22 THR A 85 16.753 -1.457 -4.029 1.00 0.00 H new ATOM 0 HG23 THR A 85 17.953 -0.324 -4.694 1.00 0.00 H new ATOM 1318 N MET A 86 15.624 -0.910 -1.070 1.00 0.00 N ATOM 1319 CA MET A 86 14.230 -1.266 -0.883 1.00 0.00 C ATOM 1320 C MET A 86 13.394 -0.040 -0.549 1.00 0.00 C ATOM 1321 O MET A 86 12.333 0.123 -1.132 1.00 0.00 O ATOM 1322 CB MET A 86 14.158 -2.364 0.195 1.00 0.00 C ATOM 1323 CG MET A 86 12.937 -2.334 1.101 1.00 0.00 C ATOM 1324 SD MET A 86 12.918 -3.783 2.209 1.00 0.00 S ATOM 1325 CE MET A 86 11.261 -3.686 2.932 1.00 0.00 C ATOM 0 H MET A 86 16.256 -1.428 -0.459 1.00 0.00 H new ATOM 0 HA MET A 86 13.805 -1.661 -1.806 1.00 0.00 H new ATOM 0 HB2 MET A 86 14.193 -3.334 -0.301 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.049 -2.292 0.818 1.00 0.00 H new ATOM 0 HG2 MET A 86 12.940 -1.418 1.692 1.00 0.00 H new ATOM 0 HG3 MET A 86 12.030 -2.321 0.497 1.00 0.00 H new ATOM 0 HE1 MET A 86 11.191 -4.374 3.775 1.00 0.00 H new ATOM 0 HE2 MET A 86 11.074 -2.669 3.277 1.00 0.00 H new ATOM 0 HE3 MET A 86 10.520 -3.956 2.180 1.00 0.00 H new ATOM 1335 N ALA A 87 13.818 0.809 0.382 1.00 0.00 N ATOM 1336 CA ALA A 87 13.065 1.993 0.748 1.00 0.00 C ATOM 1337 C ALA A 87 13.020 3.003 -0.380 1.00 0.00 C ATOM 1338 O ALA A 87 11.961 3.592 -0.574 1.00 0.00 O ATOM 1339 CB ALA A 87 13.626 2.558 2.034 1.00 0.00 C ATOM 0 H ALA A 87 14.690 0.692 0.899 1.00 0.00 H new ATOM 0 HA ALA A 87 12.024 1.722 0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.065 3.449 2.315 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.544 1.813 2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.674 2.820 1.889 1.00 0.00 H new ATOM 1345 N GLN A 88 14.109 3.191 -1.128 1.00 0.00 N ATOM 1346 CA GLN A 88 14.055 4.017 -2.315 1.00 0.00 C ATOM 1347 C GLN A 88 13.011 3.441 -3.259 1.00 0.00 C ATOM 1348 O GLN A 88 12.127 4.173 -3.666 1.00 0.00 O ATOM 1349 CB GLN A 88 15.439 4.166 -2.969 1.00 0.00 C ATOM 1350 CG GLN A 88 15.958 5.612 -2.893 1.00 0.00 C ATOM 1351 CD GLN A 88 15.014 6.656 -3.502 1.00 0.00 C ATOM 1352 OE1 GLN A 88 14.655 7.652 -2.875 1.00 0.00 O ATOM 1353 NE2 GLN A 88 14.584 6.451 -4.734 1.00 0.00 N ATOM 0 H GLN A 88 15.023 2.785 -0.929 1.00 0.00 H new ATOM 0 HA GLN A 88 13.757 5.031 -2.047 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.147 3.500 -2.476 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.383 3.855 -4.012 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.137 5.867 -1.848 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.919 5.667 -3.403 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.885 5.623 -5.248 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.951 7.120 -5.171 1.00 0.00 H new ATOM 1362 N GLN A 89 13.041 2.144 -3.556 1.00 0.00 N ATOM 1363 CA GLN A 89 12.103 1.478 -4.447 1.00 0.00 C ATOM 1364 C GLN A 89 10.655 1.502 -3.951 1.00 0.00 C ATOM 1365 O GLN A 89 9.734 1.632 -4.751 1.00 0.00 O ATOM 1366 CB GLN A 89 12.602 0.043 -4.647 1.00 0.00 C ATOM 1367 CG GLN A 89 13.704 0.016 -5.719 1.00 0.00 C ATOM 1368 CD GLN A 89 13.699 -1.267 -6.533 1.00 0.00 C ATOM 1369 OE1 GLN A 89 13.624 -2.363 -5.989 1.00 0.00 O ATOM 1370 NE2 GLN A 89 13.828 -1.167 -7.844 1.00 0.00 N ATOM 0 H GLN A 89 13.741 1.511 -3.170 1.00 0.00 H new ATOM 0 HA GLN A 89 12.074 2.021 -5.392 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.988 -0.351 -3.707 1.00 0.00 H new ATOM 0 HB3 GLN A 89 11.775 -0.600 -4.947 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.575 0.867 -6.388 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.675 0.133 -5.239 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.889 -0.248 -8.282 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.866 -2.009 -8.418 1.00 0.00 H new ATOM 1379 N LEU A 90 10.423 1.403 -2.645 1.00 0.00 N ATOM 1380 CA LEU A 90 9.105 1.527 -2.024 1.00 0.00 C ATOM 1381 C LEU A 90 8.570 2.962 -2.099 1.00 0.00 C ATOM 1382 O LEU A 90 7.443 3.216 -1.667 1.00 0.00 O ATOM 1383 CB LEU A 90 9.196 1.114 -0.550 1.00 0.00 C ATOM 1384 CG LEU A 90 9.315 -0.388 -0.231 1.00 0.00 C ATOM 1385 CD1 LEU A 90 9.763 -0.572 1.223 1.00 0.00 C ATOM 1386 CD2 LEU A 90 7.977 -1.095 -0.423 1.00 0.00 C ATOM 0 H LEU A 90 11.167 1.229 -1.969 1.00 0.00 H new ATOM 0 HA LEU A 90 8.421 0.877 -2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.058 1.618 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.311 1.496 -0.040 1.00 0.00 H new ATOM 0 HG LEU A 90 10.047 -0.821 -0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 90 9.846 -1.636 1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.732 -0.094 1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.030 -0.118 1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.089 -2.154 -0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.234 -0.654 0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.651 -0.982 -1.457 1.00 0.00 H new ATOM 1398 N ILE A 91 9.363 3.901 -2.609 1.00 0.00 N ATOM 1399 CA ILE A 91 8.893 5.168 -3.128 1.00 0.00 C ATOM 1400 C ILE A 91 8.938 5.143 -4.641 1.00 0.00 C ATOM 1401 O ILE A 91 7.923 5.439 -5.236 1.00 0.00 O ATOM 1402 CB ILE A 91 9.643 6.344 -2.462 1.00 0.00 C ATOM 1403 CG1 ILE A 91 8.968 6.570 -1.096 1.00 0.00 C ATOM 1404 CG2 ILE A 91 9.595 7.655 -3.262 1.00 0.00 C ATOM 1405 CD1 ILE A 91 9.723 5.841 0.010 1.00 0.00 C ATOM 0 H ILE A 91 10.375 3.792 -2.671 1.00 0.00 H new ATOM 0 HA ILE A 91 7.847 5.331 -2.866 1.00 0.00 H new ATOM 0 HB ILE A 91 10.698 6.080 -2.390 1.00 0.00 H new ATOM 0 HG12 ILE A 91 8.932 7.637 -0.875 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.937 6.217 -1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.145 8.429 -2.726 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.048 7.500 -4.241 1.00 0.00 H new ATOM 0 HG23 ILE A 91 8.558 7.967 -3.387 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.227 6.016 0.965 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.736 4.772 -0.202 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.746 6.214 0.059 1.00 0.00 H new ATOM 1417 N ASP A 92 10.032 4.768 -5.282 1.00 0.00 N ATOM 1418 CA ASP A 92 10.228 4.924 -6.717 1.00 0.00 C ATOM 1419 C ASP A 92 9.122 4.223 -7.513 1.00 0.00 C ATOM 1420 O ASP A 92 8.552 4.815 -8.424 1.00 0.00 O ATOM 1421 CB ASP A 92 11.627 4.407 -7.089 1.00 0.00 C ATOM 1422 CG ASP A 92 12.232 5.189 -8.246 1.00 0.00 C ATOM 1423 OD1 ASP A 92 11.993 4.835 -9.416 1.00 0.00 O ATOM 1424 OD2 ASP A 92 13.000 6.149 -7.970 1.00 0.00 O ATOM 0 H ASP A 92 10.827 4.337 -4.811 1.00 0.00 H new ATOM 0 HA ASP A 92 10.165 5.980 -6.979 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.283 4.477 -6.221 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.565 3.352 -7.357 1.00 0.00 H new ATOM 1429 N ILE A 93 8.728 3.012 -7.099 1.00 0.00 N ATOM 1430 CA ILE A 93 7.652 2.247 -7.723 1.00 0.00 C ATOM 1431 C ILE A 93 6.296 2.911 -7.417 1.00 0.00 C ATOM 1432 O ILE A 93 5.393 2.919 -8.258 1.00 0.00 O ATOM 1433 CB ILE A 93 7.718 0.780 -7.215 1.00 0.00 C ATOM 1434 CG1 ILE A 93 9.079 0.110 -7.531 1.00 0.00 C ATOM 1435 CG2 ILE A 93 6.611 -0.078 -7.863 1.00 0.00 C ATOM 1436 CD1 ILE A 93 9.381 -1.135 -6.686 1.00 0.00 C ATOM 0 H ILE A 93 9.158 2.532 -6.308 1.00 0.00 H new ATOM 0 HA ILE A 93 7.767 2.235 -8.807 1.00 0.00 H new ATOM 0 HB ILE A 93 7.583 0.830 -6.135 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.098 -0.167 -8.585 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.874 0.840 -7.379 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.679 -1.100 -7.491 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.635 0.336 -7.610 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.737 -0.077 -8.946 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.351 -1.541 -6.971 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.397 -0.863 -5.631 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.609 -1.886 -6.856 1.00 0.00 H new ATOM 1448 N VAL A 94 6.129 3.430 -6.197 1.00 0.00 N ATOM 1449 CA VAL A 94 4.888 4.007 -5.694 1.00 0.00 C ATOM 1450 C VAL A 94 4.676 5.364 -6.362 1.00 0.00 C ATOM 1451 O VAL A 94 3.756 5.525 -7.164 1.00 0.00 O ATOM 1452 CB VAL A 94 4.911 4.076 -4.144 1.00 0.00 C ATOM 1453 CG1 VAL A 94 3.567 4.615 -3.641 1.00 0.00 C ATOM 1454 CG2 VAL A 94 5.077 2.660 -3.578 1.00 0.00 C ATOM 0 H VAL A 94 6.884 3.459 -5.511 1.00 0.00 H new ATOM 0 HA VAL A 94 4.035 3.377 -5.948 1.00 0.00 H new ATOM 0 HB VAL A 94 5.731 4.721 -3.828 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.579 4.665 -2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 94 3.400 5.612 -4.048 1.00 0.00 H new ATOM 0 HG13 VAL A 94 2.765 3.952 -3.965 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.094 2.703 -2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.243 2.038 -3.904 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.012 2.231 -3.939 1.00 0.00 H new ATOM 1464 N HIS A 95 5.562 6.312 -6.059 1.00 0.00 N ATOM 1465 CA HIS A 95 5.685 7.636 -6.631 1.00 0.00 C ATOM 1466 C HIS A 95 5.636 7.542 -8.157 1.00 0.00 C ATOM 1467 O HIS A 95 5.054 8.409 -8.796 1.00 0.00 O ATOM 1468 CB HIS A 95 7.030 8.264 -6.231 1.00 0.00 C ATOM 1469 CG HIS A 95 7.189 9.696 -6.682 1.00 0.00 C ATOM 1470 ND1 HIS A 95 8.028 10.133 -7.683 1.00 0.00 N ATOM 1471 CD2 HIS A 95 6.540 10.790 -6.177 1.00 0.00 C ATOM 1472 CE1 HIS A 95 7.917 11.469 -7.763 1.00 0.00 C ATOM 1473 NE2 HIS A 95 6.987 11.911 -6.895 1.00 0.00 N ATOM 0 H HIS A 95 6.270 6.150 -5.343 1.00 0.00 H new ATOM 0 HA HIS A 95 4.865 8.251 -6.260 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.133 8.220 -5.147 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.839 7.668 -6.653 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.817 10.791 -5.374 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.491 12.098 -8.427 1.00 0.00 H new ATOM 0 HE2 HIS A 95 6.669 12.873 -6.781 1.00 0.00 H new ATOM 1481 N GLY A 96 6.245 6.508 -8.750 1.00 0.00 N ATOM 1482 CA GLY A 96 6.177 6.203 -10.166 1.00 0.00 C ATOM 1483 C GLY A 96 4.731 5.986 -10.594 1.00 0.00 C ATOM 1484 O GLY A 96 4.188 6.804 -11.346 1.00 0.00 O ATOM 0 H GLY A 96 6.817 5.843 -8.230 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.615 7.019 -10.742 1.00 0.00 H new ATOM 0 HA3 GLY A 96 6.764 5.310 -10.381 1.00 0.00 H new ATOM 1488 N CYS A 97 4.099 4.910 -10.110 1.00 0.00 N ATOM 1489 CA CYS A 97 2.713 4.572 -10.423 1.00 0.00 C ATOM 1490 C CYS A 97 1.742 5.710 -10.110 1.00 0.00 C ATOM 1491 O CYS A 97 0.750 5.805 -10.816 1.00 0.00 O ATOM 1492 CB CYS A 97 2.284 3.272 -9.739 1.00 0.00 C ATOM 1493 SG CYS A 97 2.561 1.788 -10.745 1.00 0.00 S ATOM 0 H CYS A 97 4.546 4.243 -9.481 1.00 0.00 H new ATOM 0 HA CYS A 97 2.672 4.415 -11.501 1.00 0.00 H new ATOM 0 HB2 CYS A 97 2.828 3.170 -8.800 1.00 0.00 H new ATOM 0 HB3 CYS A 97 1.225 3.337 -9.488 1.00 0.00 H new ATOM 1498 N GLU A 98 1.997 6.631 -9.178 1.00 0.00 N ATOM 1499 CA GLU A 98 1.095 7.766 -8.928 1.00 0.00 C ATOM 1500 C GLU A 98 0.702 8.528 -10.202 1.00 0.00 C ATOM 1501 O GLU A 98 -0.383 9.106 -10.265 1.00 0.00 O ATOM 1502 CB GLU A 98 1.743 8.772 -7.973 1.00 0.00 C ATOM 1503 CG GLU A 98 1.738 8.338 -6.508 1.00 0.00 C ATOM 1504 CD GLU A 98 2.213 9.510 -5.648 1.00 0.00 C ATOM 1505 OE1 GLU A 98 3.255 10.113 -6.004 1.00 0.00 O ATOM 1506 OE2 GLU A 98 1.501 9.831 -4.668 1.00 0.00 O ATOM 0 H GLU A 98 2.823 6.616 -8.580 1.00 0.00 H new ATOM 0 HA GLU A 98 0.196 7.326 -8.495 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.773 8.942 -8.286 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.222 9.726 -8.060 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.736 8.031 -6.208 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.391 7.477 -6.367 1.00 0.00 H new ATOM 1513 N LYS A 99 1.565 8.532 -11.218 1.00 0.00 N ATOM 1514 CA LYS A 99 1.362 9.242 -12.478 1.00 0.00 C ATOM 1515 C LYS A 99 1.528 8.335 -13.685 1.00 0.00 C ATOM 1516 O LYS A 99 0.879 8.536 -14.711 1.00 0.00 O ATOM 1517 CB LYS A 99 2.271 10.471 -12.566 1.00 0.00 C ATOM 1518 CG LYS A 99 3.798 10.294 -12.539 1.00 0.00 C ATOM 1519 CD LYS A 99 4.408 10.147 -11.141 1.00 0.00 C ATOM 1520 CE LYS A 99 4.377 11.433 -10.300 1.00 0.00 C ATOM 1521 NZ LYS A 99 4.833 11.186 -8.913 1.00 0.00 N ATOM 0 H LYS A 99 2.450 8.026 -11.185 1.00 0.00 H new ATOM 0 HA LYS A 99 0.328 9.587 -12.491 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.021 10.996 -13.488 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.005 11.132 -11.741 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.057 9.413 -13.127 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.257 11.152 -13.031 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.874 9.363 -10.605 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.442 9.817 -11.241 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.012 12.188 -10.764 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.364 11.835 -10.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.022 11.249 -8.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.254 10.237 -8.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.544 11.898 -8.649 1.00 0.00 H new ATOM 1535 N SER A 100 2.361 7.311 -13.560 1.00 0.00 N ATOM 1536 CA SER A 100 2.466 6.236 -14.520 1.00 0.00 C ATOM 1537 C SER A 100 1.178 5.403 -14.631 1.00 0.00 C ATOM 1538 O SER A 100 1.037 4.622 -15.573 1.00 0.00 O ATOM 1539 CB SER A 100 3.622 5.351 -14.089 1.00 0.00 C ATOM 1540 OG SER A 100 4.877 5.948 -14.346 1.00 0.00 O ATOM 0 H SER A 100 2.995 7.208 -12.767 1.00 0.00 H new ATOM 0 HA SER A 100 2.634 6.665 -15.508 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.535 5.136 -13.024 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.562 4.397 -14.613 1.00 0.00 H new ATOM 0 HG SER A 100 5.592 5.346 -14.052 1.00 0.00 H new ATOM 1546 N THR A 101 0.241 5.537 -13.693 1.00 0.00 N ATOM 1547 CA THR A 101 -1.024 4.829 -13.697 1.00 0.00 C ATOM 1548 C THR A 101 -2.147 5.842 -13.942 1.00 0.00 C ATOM 1549 O THR A 101 -2.369 6.732 -13.110 1.00 0.00 O ATOM 1550 CB THR A 101 -1.138 4.022 -12.402 1.00 0.00 C ATOM 1551 OG1 THR A 101 -0.114 3.038 -12.420 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.493 3.342 -12.240 1.00 0.00 C ATOM 0 H THR A 101 0.350 6.159 -12.892 1.00 0.00 H new ATOM 0 HA THR A 101 -1.100 4.100 -14.504 1.00 0.00 H new ATOM 0 HB THR A 101 -1.034 4.706 -11.560 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.341 3.023 -11.552 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.511 2.786 -11.303 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.280 4.096 -12.230 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.658 2.657 -13.072 1.00 0.00 H new ATOM 1560 N PRO A 102 -2.856 5.740 -15.080 1.00 0.00 N ATOM 1561 CA PRO A 102 -4.019 6.560 -15.351 1.00 0.00 C ATOM 1562 C PRO A 102 -5.162 6.066 -14.476 1.00 0.00 C ATOM 1563 O PRO A 102 -5.332 4.859 -14.278 1.00 0.00 O ATOM 1564 CB PRO A 102 -4.310 6.379 -16.838 1.00 0.00 C ATOM 1565 CG PRO A 102 -3.818 4.966 -17.134 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.703 4.732 -16.119 1.00 0.00 C ATOM 0 HA PRO A 102 -3.874 7.617 -15.129 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.373 6.486 -17.054 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -3.786 7.120 -17.442 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.618 4.235 -17.021 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.449 4.880 -18.156 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.770 3.729 -15.697 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.725 4.813 -16.594 1.00 0.00 H new ATOM 1574 N ALA A 103 -5.944 6.998 -13.946 1.00 0.00 N ATOM 1575 CA ALA A 103 -7.180 6.712 -13.256 1.00 0.00 C ATOM 1576 C ALA A 103 -8.036 7.970 -13.284 1.00 0.00 C ATOM 1577 O ALA A 103 -7.515 9.075 -13.460 1.00 0.00 O ATOM 1578 CB ALA A 103 -6.872 6.324 -11.805 1.00 0.00 C ATOM 0 H ALA A 103 -5.725 7.993 -13.989 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.708 5.888 -13.737 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.803 6.107 -11.281 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.234 5.440 -11.792 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.360 7.148 -11.309 1.00 0.00 H new ATOM 1584 N ASN A 104 -9.322 7.821 -12.982 1.00 0.00 N ATOM 1585 CA ASN A 104 -10.169 8.935 -12.552 1.00 0.00 C ATOM 1586 C ASN A 104 -9.604 9.555 -11.277 1.00 0.00 C ATOM 1587 O ASN A 104 -8.817 8.939 -10.554 1.00 0.00 O ATOM 1588 CB ASN A 104 -11.651 8.533 -12.353 1.00 0.00 C ATOM 1589 CG ASN A 104 -11.891 7.038 -12.277 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -12.440 6.423 -13.185 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -11.389 6.401 -11.237 1.00 0.00 N ATOM 0 H ASN A 104 -9.809 6.926 -13.028 1.00 0.00 H new ATOM 0 HA ASN A 104 -10.159 9.671 -13.355 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -12.020 8.995 -11.437 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -12.239 8.941 -13.175 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -11.455 5.385 -11.181 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -10.935 6.925 -10.489 1.00 0.00 H new ATOM 1598 N ASP A 105 -10.090 10.750 -10.948 1.00 0.00 N ATOM 1599 CA ASP A 105 -9.771 11.516 -9.736 1.00 0.00 C ATOM 1600 C ASP A 105 -10.193 10.807 -8.443 1.00 0.00 C ATOM 1601 O ASP A 105 -10.016 11.327 -7.339 1.00 0.00 O ATOM 1602 CB ASP A 105 -10.454 12.892 -9.796 1.00 0.00 C ATOM 1603 CG ASP A 105 -9.421 14.002 -9.675 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -8.920 14.237 -8.553 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -9.131 14.639 -10.718 1.00 0.00 O ATOM 0 H ASP A 105 -10.753 11.240 -11.549 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.686 11.619 -9.711 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -10.999 12.994 -10.735 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -11.185 12.978 -8.992 1.00 0.00 H new ATOM 1610 N ASP A 106 -10.794 9.626 -8.569 1.00 0.00 N ATOM 1611 CA ASP A 106 -11.196 8.791 -7.464 1.00 0.00 C ATOM 1612 C ASP A 106 -9.937 8.192 -6.842 1.00 0.00 C ATOM 1613 O ASP A 106 -9.443 7.161 -7.300 1.00 0.00 O ATOM 1614 CB ASP A 106 -12.172 7.735 -7.981 1.00 0.00 C ATOM 1615 CG ASP A 106 -12.957 7.118 -6.833 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -12.349 6.598 -5.873 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -14.204 7.136 -6.906 1.00 0.00 O ATOM 0 H ASP A 106 -11.017 9.220 -9.478 1.00 0.00 H new ATOM 0 HA ASP A 106 -11.714 9.353 -6.687 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -12.859 8.187 -8.696 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -11.625 6.957 -8.513 1.00 0.00 H new ATOM 1622 N LYS A 107 -9.364 8.862 -5.838 1.00 0.00 N ATOM 1623 CA LYS A 107 -8.194 8.466 -5.099 1.00 0.00 C ATOM 1624 C LYS A 107 -8.261 7.031 -4.599 1.00 0.00 C ATOM 1625 O LYS A 107 -7.205 6.413 -4.488 1.00 0.00 O ATOM 1626 CB LYS A 107 -8.060 9.435 -3.929 1.00 0.00 C ATOM 1627 CG LYS A 107 -6.855 10.335 -4.106 1.00 0.00 C ATOM 1628 CD LYS A 107 -6.832 11.416 -5.195 1.00 0.00 C ATOM 1629 CE LYS A 107 -6.290 10.996 -6.572 1.00 0.00 C ATOM 1630 NZ LYS A 107 -5.711 12.148 -7.306 1.00 0.00 N ATOM 0 H LYS A 107 -9.741 9.751 -5.510 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.326 8.503 -5.757 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -8.962 10.041 -3.849 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -7.967 8.876 -2.998 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -6.688 10.837 -3.153 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -5.995 9.688 -4.280 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -7.848 11.787 -5.328 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -6.232 12.251 -4.833 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -5.529 10.226 -6.445 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -7.094 10.556 -7.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -5.356 11.828 -8.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -6.444 12.872 -7.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -4.927 12.552 -6.755 1.00 0.00 H new ATOM 1644 N CYS A 108 -9.458 6.505 -4.311 1.00 0.00 N ATOM 1645 CA CYS A 108 -9.615 5.104 -3.970 1.00 0.00 C ATOM 1646 C CYS A 108 -9.142 4.268 -5.156 1.00 0.00 C ATOM 1647 O CYS A 108 -8.252 3.444 -4.994 1.00 0.00 O ATOM 1648 CB CYS A 108 -11.072 4.755 -3.644 1.00 0.00 C ATOM 1649 SG CYS A 108 -11.998 5.823 -2.509 1.00 0.00 S ATOM 0 H CYS A 108 -10.328 7.038 -4.310 1.00 0.00 H new ATOM 0 HA CYS A 108 -9.023 4.892 -3.080 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -11.621 4.721 -4.585 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -11.084 3.746 -3.231 1.00 0.00 H new ATOM 1654 N ILE A 109 -9.734 4.479 -6.338 1.00 0.00 N ATOM 1655 CA ILE A 109 -9.459 3.689 -7.545 1.00 0.00 C ATOM 1656 C ILE A 109 -8.014 3.880 -7.996 1.00 0.00 C ATOM 1657 O ILE A 109 -7.349 2.911 -8.360 1.00 0.00 O ATOM 1658 CB ILE A 109 -10.474 4.045 -8.655 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -11.847 3.462 -8.242 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -9.999 3.614 -10.053 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -12.734 2.899 -9.348 1.00 0.00 C ATOM 0 H ILE A 109 -10.427 5.213 -6.485 1.00 0.00 H new ATOM 0 HA ILE A 109 -9.581 2.630 -7.318 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.570 5.127 -8.748 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -11.671 2.669 -7.515 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -12.405 4.246 -7.729 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.750 3.889 -10.793 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -9.059 4.113 -10.288 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.851 2.534 -10.070 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -13.662 2.526 -8.915 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -12.960 3.685 -10.069 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -12.215 2.084 -9.851 1.00 0.00 H new ATOM 1673 N TRP A 110 -7.532 5.118 -7.987 1.00 0.00 N ATOM 1674 CA TRP A 110 -6.166 5.460 -8.265 1.00 0.00 C ATOM 1675 C TRP A 110 -5.214 4.659 -7.378 1.00 0.00 C ATOM 1676 O TRP A 110 -4.410 3.895 -7.906 1.00 0.00 O ATOM 1677 CB TRP A 110 -6.058 6.957 -8.037 1.00 0.00 C ATOM 1678 CG TRP A 110 -4.694 7.493 -8.189 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -3.946 7.393 -9.304 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -3.884 8.167 -7.191 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -2.762 8.069 -9.099 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -2.687 8.597 -7.825 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -4.051 8.461 -5.821 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -1.739 9.377 -7.153 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -3.073 9.197 -5.127 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -1.925 9.664 -5.793 1.00 0.00 C ATOM 0 H TRP A 110 -8.112 5.930 -7.777 1.00 0.00 H new ATOM 0 HA TRP A 110 -5.881 5.213 -9.288 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -6.718 7.469 -8.738 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -6.418 7.188 -7.034 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -4.226 6.871 -10.207 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -2.030 8.167 -9.803 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -4.934 8.119 -5.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.873 9.754 -7.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -3.205 9.405 -4.075 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -1.188 10.243 -5.257 1.00 0.00 H new ATOM 1697 N THR A 111 -5.333 4.771 -6.052 1.00 0.00 N ATOM 1698 CA THR A 111 -4.450 4.074 -5.121 1.00 0.00 C ATOM 1699 C THR A 111 -4.587 2.552 -5.265 1.00 0.00 C ATOM 1700 O THR A 111 -3.592 1.840 -5.167 1.00 0.00 O ATOM 1701 CB THR A 111 -4.724 4.561 -3.693 1.00 0.00 C ATOM 1702 OG1 THR A 111 -4.618 5.966 -3.642 1.00 0.00 O ATOM 1703 CG2 THR A 111 -3.755 3.947 -2.680 1.00 0.00 C ATOM 0 H THR A 111 -6.043 5.346 -5.598 1.00 0.00 H new ATOM 0 HA THR A 111 -3.412 4.308 -5.359 1.00 0.00 H new ATOM 0 HB THR A 111 -5.733 4.245 -3.428 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.468 6.368 -3.919 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.987 4.320 -1.682 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.854 2.862 -2.693 1.00 0.00 H new ATOM 0 HG23 THR A 111 -2.733 4.221 -2.942 1.00 0.00 H new ATOM 1711 N LEU A 112 -5.780 2.041 -5.593 1.00 0.00 N ATOM 1712 CA LEU A 112 -5.997 0.664 -6.023 1.00 0.00 C ATOM 1713 C LEU A 112 -5.031 0.315 -7.144 1.00 0.00 C ATOM 1714 O LEU A 112 -4.307 -0.674 -7.046 1.00 0.00 O ATOM 1715 CB LEU A 112 -7.444 0.503 -6.495 1.00 0.00 C ATOM 1716 CG LEU A 112 -8.135 -0.797 -6.093 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -9.609 -0.469 -5.935 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -8.104 -1.876 -7.168 1.00 0.00 C ATOM 0 H LEU A 112 -6.639 2.591 -5.564 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.818 -0.013 -5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.028 1.337 -6.106 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.462 0.580 -7.582 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.624 -1.166 -5.204 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.153 -1.368 -5.647 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.732 0.292 -5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.002 -0.095 -6.880 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.616 -2.767 -6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.605 -1.511 -8.065 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.069 -2.123 -7.406 1.00 0.00 H new ATOM 1730 N GLY A 113 -5.019 1.128 -8.199 1.00 0.00 N ATOM 1731 CA GLY A 113 -4.162 0.968 -9.352 1.00 0.00 C ATOM 1732 C GLY A 113 -2.690 0.997 -8.955 1.00 0.00 C ATOM 1733 O GLY A 113 -1.950 0.108 -9.376 1.00 0.00 O ATOM 0 H GLY A 113 -5.630 1.942 -8.268 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.389 0.024 -9.848 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.363 1.763 -10.071 1.00 0.00 H new ATOM 1737 N VAL A 114 -2.274 1.991 -8.162 1.00 0.00 N ATOM 1738 CA VAL A 114 -0.903 2.158 -7.676 1.00 0.00 C ATOM 1739 C VAL A 114 -0.485 0.897 -6.907 1.00 0.00 C ATOM 1740 O VAL A 114 0.538 0.297 -7.227 1.00 0.00 O ATOM 1741 CB VAL A 114 -0.762 3.470 -6.861 1.00 0.00 C ATOM 1742 CG1 VAL A 114 0.663 3.712 -6.344 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -1.116 4.708 -7.706 1.00 0.00 C ATOM 0 H VAL A 114 -2.903 2.723 -7.832 1.00 0.00 H new ATOM 0 HA VAL A 114 -0.213 2.266 -8.513 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.450 3.339 -6.026 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.693 4.646 -5.783 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.959 2.888 -5.694 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.350 3.774 -7.188 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -1.005 5.607 -7.099 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.448 4.765 -8.565 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -2.146 4.629 -8.053 1.00 0.00 H new ATOM 1753 N ALA A 115 -1.300 0.422 -5.962 1.00 0.00 N ATOM 1754 CA ALA A 115 -1.017 -0.787 -5.204 1.00 0.00 C ATOM 1755 C ALA A 115 -0.933 -2.011 -6.118 1.00 0.00 C ATOM 1756 O ALA A 115 -0.057 -2.847 -5.925 1.00 0.00 O ATOM 1757 CB ALA A 115 -2.097 -0.983 -4.137 1.00 0.00 C ATOM 0 H ALA A 115 -2.178 0.872 -5.704 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.047 -0.676 -4.720 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -1.886 -1.889 -3.568 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.104 -0.125 -3.464 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.071 -1.075 -4.618 1.00 0.00 H new ATOM 1763 N THR A 116 -1.813 -2.128 -7.115 1.00 0.00 N ATOM 1764 CA THR A 116 -1.875 -3.283 -8.001 1.00 0.00 C ATOM 1765 C THR A 116 -0.609 -3.388 -8.863 1.00 0.00 C ATOM 1766 O THR A 116 -0.028 -4.471 -8.937 1.00 0.00 O ATOM 1767 CB THR A 116 -3.160 -3.209 -8.840 1.00 0.00 C ATOM 1768 OG1 THR A 116 -4.291 -3.080 -8.004 1.00 0.00 O ATOM 1769 CG2 THR A 116 -3.400 -4.459 -9.669 1.00 0.00 C ATOM 0 H THR A 116 -2.509 -1.413 -7.329 1.00 0.00 H new ATOM 0 HA THR A 116 -1.912 -4.198 -7.410 1.00 0.00 H new ATOM 0 HB THR A 116 -3.025 -2.348 -9.494 1.00 0.00 H new ATOM 0 HG1 THR A 116 -4.542 -2.135 -7.937 1.00 0.00 H new ATOM 0 HG21 THR A 116 -4.322 -4.346 -10.239 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.565 -4.607 -10.354 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.485 -5.322 -9.009 1.00 0.00 H new ATOM 1777 N CYS A 117 -0.155 -2.293 -9.492 1.00 0.00 N ATOM 1778 CA CYS A 117 1.088 -2.338 -10.259 1.00 0.00 C ATOM 1779 C CYS A 117 2.262 -2.652 -9.334 1.00 0.00 C ATOM 1780 O CYS A 117 3.047 -3.552 -9.623 1.00 0.00 O ATOM 1781 CB CYS A 117 1.345 -1.049 -11.047 1.00 0.00 C ATOM 1782 SG CYS A 117 1.057 0.529 -10.205 1.00 0.00 S ATOM 0 H CYS A 117 -0.622 -1.386 -9.483 1.00 0.00 H new ATOM 0 HA CYS A 117 0.985 -3.135 -10.996 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.381 -1.064 -11.384 1.00 0.00 H new ATOM 0 HB3 CYS A 117 0.719 -1.072 -11.939 1.00 0.00 H new ATOM 1787 N PHE A 118 2.359 -1.929 -8.217 1.00 0.00 N ATOM 1788 CA PHE A 118 3.385 -2.119 -7.205 1.00 0.00 C ATOM 1789 C PHE A 118 3.445 -3.580 -6.751 1.00 0.00 C ATOM 1790 O PHE A 118 4.541 -4.131 -6.723 1.00 0.00 O ATOM 1791 CB PHE A 118 3.122 -1.117 -6.077 1.00 0.00 C ATOM 1792 CG PHE A 118 3.909 -1.274 -4.793 1.00 0.00 C ATOM 1793 CD1 PHE A 118 5.132 -0.599 -4.594 1.00 0.00 C ATOM 1794 CD2 PHE A 118 3.340 -2.016 -3.743 1.00 0.00 C ATOM 1795 CE1 PHE A 118 5.750 -0.603 -3.326 1.00 0.00 C ATOM 1796 CE2 PHE A 118 3.968 -2.048 -2.492 1.00 0.00 C ATOM 1797 CZ PHE A 118 5.145 -1.319 -2.274 1.00 0.00 C ATOM 0 H PHE A 118 1.707 -1.178 -7.991 1.00 0.00 H new ATOM 0 HA PHE A 118 4.379 -1.918 -7.604 1.00 0.00 H new ATOM 0 HB2 PHE A 118 3.313 -0.117 -6.466 1.00 0.00 H new ATOM 0 HB3 PHE A 118 2.062 -1.165 -5.828 1.00 0.00 H new ATOM 0 HD1 PHE A 118 5.597 -0.077 -5.417 1.00 0.00 H new ATOM 0 HD2 PHE A 118 2.421 -2.560 -3.901 1.00 0.00 H new ATOM 0 HE1 PHE A 118 6.673 -0.066 -3.164 1.00 0.00 H new ATOM 0 HE2 PHE A 118 3.544 -2.637 -1.692 1.00 0.00 H new ATOM 0 HZ PHE A 118 5.592 -1.306 -1.291 1.00 0.00 H new ATOM 1807 N LYS A 119 2.304 -4.236 -6.487 1.00 0.00 N ATOM 1808 CA LYS A 119 2.216 -5.651 -6.114 1.00 0.00 C ATOM 1809 C LYS A 119 3.015 -6.508 -7.089 1.00 0.00 C ATOM 1810 O LYS A 119 3.883 -7.261 -6.656 1.00 0.00 O ATOM 1811 CB LYS A 119 0.745 -6.105 -6.020 1.00 0.00 C ATOM 1812 CG LYS A 119 0.614 -7.543 -5.489 1.00 0.00 C ATOM 1813 CD LYS A 119 -0.845 -7.976 -5.273 1.00 0.00 C ATOM 1814 CE LYS A 119 -1.631 -8.355 -6.537 1.00 0.00 C ATOM 1815 NZ LYS A 119 -1.203 -9.636 -7.135 1.00 0.00 N ATOM 0 H LYS A 119 1.392 -3.781 -6.529 1.00 0.00 H new ATOM 0 HA LYS A 119 2.655 -5.780 -5.125 1.00 0.00 H new ATOM 0 HB2 LYS A 119 0.198 -5.426 -5.365 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.283 -6.040 -7.005 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.090 -8.228 -6.191 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.155 -7.626 -4.546 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -0.853 -8.830 -4.595 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.373 -7.165 -4.771 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -2.691 -8.414 -6.292 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.518 -7.562 -7.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.773 -9.831 -7.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -0.199 -9.578 -7.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -1.335 -10.403 -6.445 1.00 0.00 H new ATOM 1829 N ALA A 120 2.769 -6.381 -8.394 1.00 0.00 N ATOM 1830 CA ALA A 120 3.481 -7.167 -9.395 1.00 0.00 C ATOM 1831 C ALA A 120 4.995 -6.953 -9.332 1.00 0.00 C ATOM 1832 O ALA A 120 5.757 -7.868 -9.641 1.00 0.00 O ATOM 1833 CB ALA A 120 2.949 -6.834 -10.787 1.00 0.00 C ATOM 0 H ALA A 120 2.078 -5.738 -8.781 1.00 0.00 H new ATOM 0 HA ALA A 120 3.302 -8.220 -9.179 1.00 0.00 H new ATOM 0 HB1 ALA A 120 3.484 -7.424 -11.532 1.00 0.00 H new ATOM 0 HB2 ALA A 120 1.885 -7.067 -10.835 1.00 0.00 H new ATOM 0 HB3 ALA A 120 3.098 -5.773 -10.989 1.00 0.00 H new ATOM 1839 N GLU A 121 5.457 -5.772 -8.926 1.00 0.00 N ATOM 1840 CA GLU A 121 6.874 -5.510 -8.746 1.00 0.00 C ATOM 1841 C GLU A 121 7.414 -6.228 -7.506 1.00 0.00 C ATOM 1842 O GLU A 121 8.529 -6.730 -7.574 1.00 0.00 O ATOM 1843 CB GLU A 121 7.173 -4.000 -8.731 1.00 0.00 C ATOM 1844 CG GLU A 121 6.597 -3.222 -9.935 1.00 0.00 C ATOM 1845 CD GLU A 121 6.839 -3.912 -11.290 1.00 0.00 C ATOM 1846 OE1 GLU A 121 7.979 -4.395 -11.506 1.00 0.00 O ATOM 1847 OE2 GLU A 121 5.933 -4.008 -12.153 1.00 0.00 O ATOM 0 H GLU A 121 4.857 -4.975 -8.714 1.00 0.00 H new ATOM 0 HA GLU A 121 7.404 -5.920 -9.606 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.772 -3.572 -7.812 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.253 -3.856 -8.705 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.525 -3.089 -9.791 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.041 -2.227 -9.959 1.00 0.00 H new ATOM 1854 N ILE A 122 6.651 -6.355 -6.413 1.00 0.00 N ATOM 1855 CA ILE A 122 7.056 -7.088 -5.204 1.00 0.00 C ATOM 1856 C ILE A 122 7.366 -8.544 -5.559 1.00 0.00 C ATOM 1857 O ILE A 122 8.381 -9.089 -5.117 1.00 0.00 O ATOM 1858 CB ILE A 122 5.985 -6.984 -4.080 1.00 0.00 C ATOM 1859 CG1 ILE A 122 5.471 -5.545 -3.862 1.00 0.00 C ATOM 1860 CG2 ILE A 122 6.530 -7.459 -2.731 1.00 0.00 C ATOM 1861 CD1 ILE A 122 6.529 -4.442 -3.722 1.00 0.00 C ATOM 0 H ILE A 122 5.720 -5.945 -6.341 1.00 0.00 H new ATOM 0 HA ILE A 122 7.962 -6.628 -4.809 1.00 0.00 H new ATOM 0 HB ILE A 122 5.170 -7.620 -4.424 1.00 0.00 H new ATOM 0 HG12 ILE A 122 4.821 -5.287 -4.698 1.00 0.00 H new ATOM 0 HG13 ILE A 122 4.853 -5.538 -2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 122 5.752 -7.371 -1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.842 -8.500 -2.811 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.385 -6.845 -2.447 1.00 0.00 H new ATOM 0 HD11 ILE A 122 6.036 -3.481 -3.574 1.00 0.00 H new ATOM 0 HD12 ILE A 122 7.168 -4.658 -2.866 1.00 0.00 H new ATOM 0 HD13 ILE A 122 7.135 -4.403 -4.627 1.00 0.00 H new ATOM 1873 N HIS A 123 6.529 -9.150 -6.407 1.00 0.00 N ATOM 1874 CA HIS A 123 6.726 -10.507 -6.908 1.00 0.00 C ATOM 1875 C HIS A 123 8.066 -10.600 -7.655 1.00 0.00 C ATOM 1876 O HIS A 123 8.864 -11.503 -7.399 1.00 0.00 O ATOM 1877 CB HIS A 123 5.562 -10.942 -7.819 1.00 0.00 C ATOM 1878 CG HIS A 123 4.192 -11.082 -7.183 1.00 0.00 C ATOM 1879 ND1 HIS A 123 3.259 -12.047 -7.496 1.00 0.00 N ATOM 1880 CD2 HIS A 123 3.602 -10.257 -6.267 1.00 0.00 C ATOM 1881 CE1 HIS A 123 2.148 -11.821 -6.775 1.00 0.00 C ATOM 1882 NE2 HIS A 123 2.306 -10.722 -6.027 1.00 0.00 N ATOM 0 H HIS A 123 5.686 -8.703 -6.767 1.00 0.00 H new ATOM 0 HA HIS A 123 6.748 -11.187 -6.057 1.00 0.00 H new ATOM 0 HB2 HIS A 123 5.483 -10.221 -8.633 1.00 0.00 H new ATOM 0 HB3 HIS A 123 5.825 -11.900 -8.267 1.00 0.00 H new ATOM 0 HD2 HIS A 123 4.059 -9.393 -5.807 1.00 0.00 H new ATOM 0 HE1 HIS A 123 1.260 -12.435 -6.796 1.00 0.00 H new ATOM 0 HE2 HIS A 123 1.615 -10.305 -5.403 1.00 0.00 H new ATOM 1890 N LYS A 124 8.338 -9.687 -8.594 1.00 0.00 N ATOM 1891 CA LYS A 124 9.575 -9.688 -9.398 1.00 0.00 C ATOM 1892 C LYS A 124 10.815 -9.470 -8.541 1.00 0.00 C ATOM 1893 O LYS A 124 11.883 -10.024 -8.812 1.00 0.00 O ATOM 1894 CB LYS A 124 9.503 -8.566 -10.436 1.00 0.00 C ATOM 1895 CG LYS A 124 8.433 -8.869 -11.482 1.00 0.00 C ATOM 1896 CD LYS A 124 8.015 -7.612 -12.239 1.00 0.00 C ATOM 1897 CE LYS A 124 6.606 -7.783 -12.808 1.00 0.00 C ATOM 1898 NZ LYS A 124 6.120 -6.530 -13.413 1.00 0.00 N ATOM 0 H LYS A 124 7.705 -8.920 -8.822 1.00 0.00 H new ATOM 0 HA LYS A 124 9.654 -10.664 -9.876 1.00 0.00 H new ATOM 0 HB2 LYS A 124 9.279 -7.620 -9.942 1.00 0.00 H new ATOM 0 HB3 LYS A 124 10.472 -8.450 -10.922 1.00 0.00 H new ATOM 0 HG2 LYS A 124 8.812 -9.610 -12.187 1.00 0.00 H new ATOM 0 HG3 LYS A 124 7.562 -9.308 -10.996 1.00 0.00 H new ATOM 0 HD2 LYS A 124 8.044 -6.750 -11.572 1.00 0.00 H new ATOM 0 HD3 LYS A 124 8.720 -7.414 -13.047 1.00 0.00 H new ATOM 0 HE2 LYS A 124 6.607 -8.575 -13.557 1.00 0.00 H new ATOM 0 HE3 LYS A 124 5.926 -8.095 -12.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 5.269 -6.725 -13.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 5.888 -5.849 -12.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 6.859 -6.131 -14.026 1.00 0.00 H new ATOM 1912 N LEU A 125 10.679 -8.629 -7.524 1.00 0.00 N ATOM 1913 CA LEU A 125 11.728 -8.348 -6.549 1.00 0.00 C ATOM 1914 C LEU A 125 11.918 -9.505 -5.569 1.00 0.00 C ATOM 1915 O LEU A 125 12.856 -9.463 -4.778 1.00 0.00 O ATOM 1916 CB LEU A 125 11.422 -7.037 -5.812 1.00 0.00 C ATOM 1917 CG LEU A 125 11.537 -5.819 -6.750 1.00 0.00 C ATOM 1918 CD1 LEU A 125 10.776 -4.623 -6.194 1.00 0.00 C ATOM 1919 CD2 LEU A 125 13.001 -5.426 -6.964 1.00 0.00 C ATOM 0 H LEU A 125 9.818 -8.111 -7.349 1.00 0.00 H new ATOM 0 HA LEU A 125 12.669 -8.235 -7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 125 10.417 -7.081 -5.393 1.00 0.00 H new ATOM 0 HB3 LEU A 125 12.111 -6.919 -4.976 1.00 0.00 H new ATOM 0 HG LEU A 125 11.099 -6.108 -7.706 1.00 0.00 H new ATOM 0 HD11 LEU A 125 10.875 -3.779 -6.877 1.00 0.00 H new ATOM 0 HD12 LEU A 125 9.722 -4.880 -6.086 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.185 -4.352 -5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 125 13.053 -4.564 -7.629 1.00 0.00 H new ATOM 0 HD22 LEU A 125 13.453 -5.172 -6.005 1.00 0.00 H new ATOM 0 HD23 LEU A 125 13.541 -6.262 -7.410 1.00 0.00 H new ATOM 1931 N ASN A 126 11.106 -10.567 -5.665 1.00 0.00 N ATOM 1932 CA ASN A 126 11.160 -11.754 -4.814 1.00 0.00 C ATOM 1933 C ASN A 126 10.976 -11.391 -3.336 1.00 0.00 C ATOM 1934 O ASN A 126 11.528 -12.027 -2.438 1.00 0.00 O ATOM 1935 CB ASN A 126 12.437 -12.552 -5.117 1.00 0.00 C ATOM 1936 CG ASN A 126 12.431 -13.941 -4.507 1.00 0.00 C ATOM 1937 OD1 ASN A 126 11.393 -14.511 -4.194 1.00 0.00 O ATOM 1938 ND2 ASN A 126 13.598 -14.532 -4.366 1.00 0.00 N ATOM 0 H ASN A 126 10.367 -10.620 -6.366 1.00 0.00 H new ATOM 0 HA ASN A 126 10.322 -12.412 -5.043 1.00 0.00 H new ATOM 0 HB2 ASN A 126 12.557 -12.637 -6.197 1.00 0.00 H new ATOM 0 HB3 ASN A 126 13.300 -12.001 -4.742 1.00 0.00 H new ATOM 0 HD21 ASN A 126 13.648 -15.479 -3.991 1.00 0.00 H new ATOM 0 HD22 ASN A 126 14.453 -14.043 -4.632 1.00 0.00 H new ATOM 1945 N TRP A 127 10.189 -10.342 -3.087 1.00 0.00 N ATOM 1946 CA TRP A 127 9.727 -9.939 -1.771 1.00 0.00 C ATOM 1947 C TRP A 127 8.343 -10.547 -1.475 1.00 0.00 C ATOM 1948 O TRP A 127 7.700 -10.150 -0.501 1.00 0.00 O ATOM 1949 CB TRP A 127 9.784 -8.413 -1.632 1.00 0.00 C ATOM 1950 CG TRP A 127 11.069 -7.702 -1.938 1.00 0.00 C ATOM 1951 CD1 TRP A 127 12.300 -8.251 -1.935 1.00 0.00 C ATOM 1952 CD2 TRP A 127 11.270 -6.300 -2.300 1.00 0.00 C ATOM 1953 NE1 TRP A 127 13.246 -7.287 -2.200 1.00 0.00 N ATOM 1954 CE2 TRP A 127 12.672 -6.053 -2.412 1.00 0.00 C ATOM 1955 CE3 TRP A 127 10.405 -5.213 -2.552 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 13.189 -4.780 -2.702 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 10.907 -3.928 -2.834 1.00 0.00 C ATOM 1958 CH2 TRP A 127 12.294 -3.716 -2.910 1.00 0.00 C ATOM 0 H TRP A 127 9.847 -9.732 -3.829 1.00 0.00 H new ATOM 0 HA TRP A 127 10.394 -10.335 -1.005 1.00 0.00 H new ATOM 0 HB2 TRP A 127 9.014 -7.995 -2.280 1.00 0.00 H new ATOM 0 HB3 TRP A 127 9.507 -8.165 -0.607 1.00 0.00 H new ATOM 0 HD1 TRP A 127 12.513 -9.294 -1.752 1.00 0.00 H new ATOM 0 HE1 TRP A 127 14.250 -7.465 -2.235 1.00 0.00 H new ATOM 0 HE3 TRP A 127 9.337 -5.370 -2.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 14.255 -4.621 -2.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 10.226 -3.105 -2.992 1.00 0.00 H new ATOM 0 HH2 TRP A 127 12.675 -2.730 -3.130 1.00 0.00 H new ATOM 1969 N ALA A 128 7.888 -11.507 -2.291 1.00 0.00 N ATOM 1970 CA ALA A 128 6.652 -12.259 -2.156 1.00 0.00 C ATOM 1971 C ALA A 128 6.969 -13.740 -2.330 1.00 0.00 C ATOM 1972 O ALA A 128 6.232 -14.561 -1.736 1.00 0.00 O ATOM 1973 CB ALA A 128 5.637 -11.791 -3.203 1.00 0.00 C ATOM 0 H ALA A 128 8.416 -11.791 -3.116 1.00 0.00 H new ATOM 0 HA ALA A 128 6.214 -12.095 -1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.714 -12.360 -3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.429 -10.731 -3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.045 -11.949 -4.201 1.00 0.00 H new