USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 908 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 58 LYS NZ :NH3+ -146:sc= 2.04 (180deg=-0.0111) USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0.681 USER MOD Set 2.1: A 40 GLN : amide:sc= 0.996 K(o=3.3,f=-4.7!) USER MOD Set 2.2: A 44 LYS NZ :NH3+ 152:sc= 2.35 (180deg=1.04) USER MOD Set 3.1: A 32 GLN : amide:sc= 0.602 K(o=3,f=-0.66!) USER MOD Set 3.2: A 34 ASN : amide:sc= 1.63 K(o=3,f=-2) USER MOD Set 3.3: A 37 THR OG1 : rot -42:sc= 0.81 USER MOD Single : A 1 ARG N :NH3+ 161:sc= 1.22 (180deg=1.1) USER MOD Single : A 5 GLN : amide:sc= 1.21 K(o=1.2,f=-7.4!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0.0831 USER MOD Single : A 15 MET CE :methyl 162:sc= -0.118 (180deg=-1.05) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 145:sc= 1.15 (180deg=0.387) USER MOD Single : A 38 MET CE :methyl 162:sc= -0.138 (180deg=-0.554) USER MOD Single : A 43 GLN : amide:sc= -0.0867 X(o=-0.087,f=-0.087) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 85:sc= 0.00449 USER MOD Single : A 52 THR OG1 : rot 70:sc= 1.01 USER MOD Single : A 56 GLN : amide:sc= 0.235 X(o=0.24,f=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 160:sc= 0.801 USER MOD Single : A 67 ASN : amide:sc= 1.04 K(o=1,f=-6.6!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 72:sc= 0.0794 USER MOD Single : A 77 THR OG1 : rot 64:sc= 0.639 USER MOD Single : A 80 HIS : no HE2:sc= 0.122 K(o=0.12,f=-6.5!) USER MOD Single : A 81 TYR OH : rot 165:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 170:sc= 2.43 (180deg=2.21) USER MOD Single : A 98 LYS NZ :NH3+ -172:sc= 1.98 (180deg=1.85) USER MOD Single : A 104 LYS NZ :NH3+ -169:sc= 0.696 (180deg=0.643) USER MOD Single : A 107 LYS NZ :NH3+ -177:sc= 0.953 (180deg=0.949) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -7.762 0.185 -6.806 1.00 0.00 N ATOM 2 CA ARG A 1 -6.537 0.810 -6.235 1.00 0.00 C ATOM 3 C ARG A 1 -5.918 -0.035 -5.119 1.00 0.00 C ATOM 4 O ARG A 1 -4.810 -0.558 -5.267 1.00 0.00 O ATOM 5 CB ARG A 1 -6.799 2.278 -5.815 1.00 0.00 C ATOM 6 CG ARG A 1 -5.615 2.983 -5.127 1.00 0.00 C ATOM 7 CD ARG A 1 -4.369 3.083 -6.015 1.00 0.00 C ATOM 8 NE ARG A 1 -3.220 3.592 -5.251 1.00 0.00 N ATOM 9 CZ ARG A 1 -2.839 4.837 -5.067 1.00 0.00 C ATOM 10 NH1 ARG A 1 -3.454 5.852 -5.598 1.00 0.00 N ATOM 11 NH2 ARG A 1 -1.807 5.063 -4.311 1.00 0.00 N ATOM 0 H1 ARG A 1 -8.318 0.906 -7.308 1.00 0.00 H new ATOM 0 H2 ARG A 1 -7.490 -0.568 -7.470 1.00 0.00 H new ATOM 0 H3 ARG A 1 -8.335 -0.221 -6.039 1.00 0.00 H new ATOM 0 HA ARG A 1 -5.786 0.841 -7.024 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -7.076 2.849 -6.701 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -7.656 2.299 -5.141 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -5.922 3.986 -4.829 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -5.360 2.443 -4.215 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -4.131 2.102 -6.427 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -4.571 3.743 -6.859 1.00 0.00 H new ATOM 0 HE ARG A 1 -2.640 2.883 -4.803 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -4.272 5.701 -6.188 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -3.118 6.799 -5.424 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -1.313 4.284 -3.876 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -1.491 6.020 -4.152 1.00 0.00 H new ATOM 27 N ALA A 2 -6.606 -0.142 -3.979 1.00 0.00 N ATOM 28 CA ALA A 2 -6.089 -0.889 -2.826 1.00 0.00 C ATOM 29 C ALA A 2 -5.946 -2.393 -3.122 1.00 0.00 C ATOM 30 O ALA A 2 -5.047 -3.048 -2.603 1.00 0.00 O ATOM 31 CB ALA A 2 -7.016 -0.642 -1.628 1.00 0.00 C ATOM 0 H ALA A 2 -7.523 0.279 -3.828 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.085 -0.532 -2.597 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.645 -1.191 -0.762 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -7.039 0.424 -1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.022 -0.983 -1.870 1.00 0.00 H new ATOM 37 N ASP A 3 -6.806 -2.917 -3.998 1.00 0.00 N ATOM 38 CA ASP A 3 -6.721 -4.298 -4.472 1.00 0.00 C ATOM 39 C ASP A 3 -5.450 -4.594 -5.298 1.00 0.00 C ATOM 40 O ASP A 3 -4.788 -5.595 -5.023 1.00 0.00 O ATOM 41 CB ASP A 3 -8.012 -4.662 -5.227 1.00 0.00 C ATOM 42 CG ASP A 3 -8.393 -3.689 -6.358 1.00 0.00 C ATOM 43 OD1 ASP A 3 -8.676 -2.500 -6.058 1.00 0.00 O ATOM 44 OD2 ASP A 3 -8.460 -4.129 -7.529 1.00 0.00 O ATOM 0 H ASP A 3 -7.583 -2.393 -4.399 1.00 0.00 H new ATOM 0 HA ASP A 3 -6.629 -4.942 -3.597 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -7.901 -5.661 -5.648 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.834 -4.707 -4.513 1.00 0.00 H new ATOM 49 N GLU A 4 -5.041 -3.720 -6.231 1.00 0.00 N ATOM 50 CA GLU A 4 -3.784 -3.890 -6.970 1.00 0.00 C ATOM 51 C GLU A 4 -2.618 -3.737 -6.010 1.00 0.00 C ATOM 52 O GLU A 4 -1.707 -4.558 -5.990 1.00 0.00 O ATOM 53 CB GLU A 4 -3.611 -2.876 -8.110 1.00 0.00 C ATOM 54 CG GLU A 4 -4.633 -3.003 -9.251 1.00 0.00 C ATOM 55 CD GLU A 4 -5.850 -2.076 -9.076 1.00 0.00 C ATOM 56 OE1 GLU A 4 -6.152 -1.669 -7.929 1.00 0.00 O ATOM 57 OE2 GLU A 4 -6.486 -1.714 -10.096 1.00 0.00 O ATOM 0 H GLU A 4 -5.567 -2.885 -6.491 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.812 -4.884 -7.416 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.675 -1.870 -7.695 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.609 -2.986 -8.525 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.143 -2.775 -10.197 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.976 -4.036 -9.311 1.00 0.00 H new ATOM 64 N GLN A 5 -2.651 -2.714 -5.154 1.00 0.00 N ATOM 65 CA GLN A 5 -1.563 -2.481 -4.213 1.00 0.00 C ATOM 66 C GLN A 5 -1.396 -3.647 -3.229 1.00 0.00 C ATOM 67 O GLN A 5 -0.267 -4.062 -2.966 1.00 0.00 O ATOM 68 CB GLN A 5 -1.683 -1.121 -3.516 1.00 0.00 C ATOM 69 CG GLN A 5 -1.373 0.030 -4.495 1.00 0.00 C ATOM 70 CD GLN A 5 -0.697 1.212 -3.806 1.00 0.00 C ATOM 71 OE1 GLN A 5 -1.257 2.290 -3.655 1.00 0.00 O ATOM 72 NE2 GLN A 5 0.540 1.066 -3.382 1.00 0.00 N ATOM 0 H GLN A 5 -3.415 -2.040 -5.096 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.641 -2.439 -4.793 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.689 -1.001 -3.115 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.996 -1.079 -2.671 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.729 -0.339 -5.293 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.299 0.366 -4.962 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.018 0.173 -3.502 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.021 1.846 -2.934 1.00 0.00 H new ATOM 81 N ALA A 6 -2.489 -4.265 -2.776 1.00 0.00 N ATOM 82 CA ALA A 6 -2.420 -5.478 -1.966 1.00 0.00 C ATOM 83 C ALA A 6 -1.815 -6.652 -2.754 1.00 0.00 C ATOM 84 O ALA A 6 -0.845 -7.264 -2.296 1.00 0.00 O ATOM 85 CB ALA A 6 -3.818 -5.813 -1.432 1.00 0.00 C ATOM 0 H ALA A 6 -3.438 -3.940 -2.960 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.755 -5.300 -1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.769 -6.718 -0.827 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.181 -4.987 -0.821 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.499 -5.972 -2.268 1.00 0.00 H new ATOM 91 N PHE A 7 -2.304 -6.926 -3.970 1.00 0.00 N ATOM 92 CA PHE A 7 -1.775 -8.016 -4.799 1.00 0.00 C ATOM 93 C PHE A 7 -0.385 -7.733 -5.403 1.00 0.00 C ATOM 94 O PHE A 7 0.307 -8.676 -5.796 1.00 0.00 O ATOM 95 CB PHE A 7 -2.842 -8.519 -5.791 1.00 0.00 C ATOM 96 CG PHE A 7 -3.105 -7.814 -7.120 1.00 0.00 C ATOM 97 CD1 PHE A 7 -2.098 -7.678 -8.096 1.00 0.00 C ATOM 98 CD2 PHE A 7 -4.429 -7.455 -7.457 1.00 0.00 C ATOM 99 CE1 PHE A 7 -2.395 -7.138 -9.362 1.00 0.00 C ATOM 100 CE2 PHE A 7 -4.729 -6.926 -8.725 1.00 0.00 C ATOM 101 CZ PHE A 7 -3.709 -6.759 -9.677 1.00 0.00 C ATOM 0 H PHE A 7 -3.067 -6.406 -4.402 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.563 -8.857 -4.139 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.589 -9.553 -6.028 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.789 -8.538 -5.252 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.089 -7.991 -7.871 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.219 -7.588 -6.733 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.609 -7.015 -10.093 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.744 -6.648 -8.967 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.935 -6.341 -10.647 1.00 0.00 H new ATOM 111 N LEU A 8 0.095 -6.482 -5.363 1.00 0.00 N ATOM 112 CA LEU A 8 1.443 -6.192 -5.871 1.00 0.00 C ATOM 113 C LEU A 8 2.436 -6.070 -4.708 1.00 0.00 C ATOM 114 O LEU A 8 3.624 -6.275 -4.927 1.00 0.00 O ATOM 115 CB LEU A 8 1.411 -4.962 -6.792 1.00 0.00 C ATOM 116 CG LEU A 8 0.634 -5.261 -8.089 1.00 0.00 C ATOM 117 CD1 LEU A 8 0.350 -3.976 -8.862 1.00 0.00 C ATOM 118 CD2 LEU A 8 1.367 -6.244 -9.008 1.00 0.00 C ATOM 0 H LEU A 8 -0.412 -5.677 -4.996 1.00 0.00 H new ATOM 0 HA LEU A 8 1.796 -7.021 -6.484 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.946 -4.125 -6.271 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.429 -4.660 -7.036 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.302 -5.725 -7.778 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.199 -4.213 -9.773 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.245 -3.304 -8.244 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.291 -3.492 -9.122 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.772 -6.416 -9.905 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.334 -5.827 -9.289 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.517 -7.189 -8.485 1.00 0.00 H new ATOM 130 N VAL A 9 1.975 -5.818 -3.471 1.00 0.00 N ATOM 131 CA VAL A 9 2.814 -6.024 -2.273 1.00 0.00 C ATOM 132 C VAL A 9 3.007 -7.534 -2.081 1.00 0.00 C ATOM 133 O VAL A 9 4.119 -7.991 -1.830 1.00 0.00 O ATOM 134 CB VAL A 9 2.210 -5.352 -1.024 1.00 0.00 C ATOM 135 CG1 VAL A 9 2.845 -5.832 0.291 1.00 0.00 C ATOM 136 CG2 VAL A 9 2.421 -3.835 -1.095 1.00 0.00 C ATOM 0 H VAL A 9 1.035 -5.474 -3.273 1.00 0.00 H new ATOM 0 HA VAL A 9 3.784 -5.549 -2.418 1.00 0.00 H new ATOM 0 HB VAL A 9 1.154 -5.622 -1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.375 -5.320 1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.699 -6.907 0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.912 -5.610 0.282 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.992 -3.366 -0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.488 -3.618 -1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.933 -3.441 -1.987 1.00 0.00 H new ATOM 146 N ALA A 10 1.939 -8.313 -2.285 1.00 0.00 N ATOM 147 CA ALA A 10 2.032 -9.775 -2.345 1.00 0.00 C ATOM 148 C ALA A 10 3.035 -10.265 -3.416 1.00 0.00 C ATOM 149 O ALA A 10 3.954 -11.028 -3.089 1.00 0.00 O ATOM 150 CB ALA A 10 0.637 -10.371 -2.551 1.00 0.00 C ATOM 0 H ALA A 10 0.994 -7.951 -2.412 1.00 0.00 H new ATOM 0 HA ALA A 10 2.427 -10.128 -1.392 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.709 -11.458 -2.595 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.008 -10.083 -1.721 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.216 -9.997 -3.484 1.00 0.00 H new ATOM 156 N LEU A 11 2.942 -9.763 -4.662 1.00 0.00 N ATOM 157 CA LEU A 11 3.978 -10.045 -5.665 1.00 0.00 C ATOM 158 C LEU A 11 5.372 -9.573 -5.229 1.00 0.00 C ATOM 159 O LEU A 11 6.324 -10.331 -5.367 1.00 0.00 O ATOM 160 CB LEU A 11 3.596 -9.489 -7.046 1.00 0.00 C ATOM 161 CG LEU A 11 4.658 -9.847 -8.113 1.00 0.00 C ATOM 162 CD1 LEU A 11 3.995 -10.181 -9.444 1.00 0.00 C ATOM 163 CD2 LEU A 11 5.665 -8.714 -8.340 1.00 0.00 C ATOM 0 H LEU A 11 2.177 -9.173 -4.990 1.00 0.00 H new ATOM 0 HA LEU A 11 4.035 -11.130 -5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.628 -9.890 -7.346 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.488 -8.406 -6.987 1.00 0.00 H new ATOM 0 HG LEU A 11 5.194 -10.715 -7.730 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.760 -10.430 -10.179 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.326 -11.032 -9.314 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.423 -9.321 -9.792 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.388 -9.016 -9.098 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.138 -7.821 -8.677 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.186 -8.498 -7.407 1.00 0.00 H new ATOM 175 N TYR A 12 5.521 -8.360 -4.692 1.00 0.00 N ATOM 176 CA TYR A 12 6.798 -7.819 -4.207 1.00 0.00 C ATOM 177 C TYR A 12 7.430 -8.711 -3.121 1.00 0.00 C ATOM 178 O TYR A 12 8.631 -8.988 -3.177 1.00 0.00 O ATOM 179 CB TYR A 12 6.563 -6.376 -3.735 1.00 0.00 C ATOM 180 CG TYR A 12 7.610 -5.709 -2.858 1.00 0.00 C ATOM 181 CD1 TYR A 12 8.991 -5.926 -3.041 1.00 0.00 C ATOM 182 CD2 TYR A 12 7.175 -4.824 -1.851 1.00 0.00 C ATOM 183 CE1 TYR A 12 9.927 -5.285 -2.206 1.00 0.00 C ATOM 184 CE2 TYR A 12 8.104 -4.170 -1.027 1.00 0.00 C ATOM 185 CZ TYR A 12 9.486 -4.404 -1.194 1.00 0.00 C ATOM 186 OH TYR A 12 10.379 -3.772 -0.384 1.00 0.00 O ATOM 0 H TYR A 12 4.742 -7.711 -4.579 1.00 0.00 H new ATOM 0 HA TYR A 12 7.526 -7.810 -5.018 1.00 0.00 H new ATOM 0 HB2 TYR A 12 6.433 -5.756 -4.622 1.00 0.00 H new ATOM 0 HB3 TYR A 12 5.618 -6.357 -3.192 1.00 0.00 H new ATOM 0 HD1 TYR A 12 9.333 -6.586 -3.824 1.00 0.00 H new ATOM 0 HD2 TYR A 12 6.119 -4.648 -1.712 1.00 0.00 H new ATOM 0 HE1 TYR A 12 10.983 -5.467 -2.340 1.00 0.00 H new ATOM 0 HE2 TYR A 12 7.761 -3.487 -0.264 1.00 0.00 H new ATOM 0 HH TYR A 12 9.898 -3.204 0.253 1.00 0.00 H new ATOM 196 N LYS A 13 6.634 -9.248 -2.189 1.00 0.00 N ATOM 197 CA LYS A 13 7.101 -10.241 -1.214 1.00 0.00 C ATOM 198 C LYS A 13 7.557 -11.538 -1.886 1.00 0.00 C ATOM 199 O LYS A 13 8.648 -12.013 -1.569 1.00 0.00 O ATOM 200 CB LYS A 13 6.018 -10.504 -0.154 1.00 0.00 C ATOM 201 CG LYS A 13 5.872 -9.314 0.810 1.00 0.00 C ATOM 202 CD LYS A 13 4.752 -9.569 1.827 1.00 0.00 C ATOM 203 CE LYS A 13 4.644 -8.388 2.800 1.00 0.00 C ATOM 204 NZ LYS A 13 3.603 -8.623 3.834 1.00 0.00 N ATOM 0 H LYS A 13 5.648 -9.007 -2.089 1.00 0.00 H new ATOM 0 HA LYS A 13 7.976 -9.827 -0.713 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.064 -10.694 -0.646 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.270 -11.402 0.410 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.813 -9.147 1.334 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.656 -8.407 0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.804 -9.710 1.308 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.953 -10.487 2.379 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.607 -8.225 3.283 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.408 -7.480 2.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.558 -7.804 4.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.680 -8.754 3.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.842 -9.476 4.379 1.00 0.00 H new ATOM 218 N TYR A 14 6.811 -12.089 -2.853 1.00 0.00 N ATOM 219 CA TYR A 14 7.236 -13.296 -3.582 1.00 0.00 C ATOM 220 C TYR A 14 8.481 -13.058 -4.458 1.00 0.00 C ATOM 221 O TYR A 14 9.368 -13.904 -4.554 1.00 0.00 O ATOM 222 CB TYR A 14 6.034 -13.752 -4.425 1.00 0.00 C ATOM 223 CG TYR A 14 6.274 -14.924 -5.362 1.00 0.00 C ATOM 224 CD1 TYR A 14 6.658 -16.177 -4.842 1.00 0.00 C ATOM 225 CD2 TYR A 14 6.082 -14.767 -6.748 1.00 0.00 C ATOM 226 CE1 TYR A 14 6.860 -17.269 -5.710 1.00 0.00 C ATOM 227 CE2 TYR A 14 6.273 -15.860 -7.617 1.00 0.00 C ATOM 228 CZ TYR A 14 6.669 -17.112 -7.100 1.00 0.00 C ATOM 229 OH TYR A 14 6.917 -18.145 -7.951 1.00 0.00 O ATOM 0 H TYR A 14 5.908 -11.719 -3.150 1.00 0.00 H new ATOM 0 HA TYR A 14 7.535 -14.068 -2.873 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.222 -14.016 -3.748 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.691 -12.904 -5.018 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.797 -16.300 -3.778 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.788 -13.807 -7.146 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.161 -18.227 -5.311 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.116 -15.739 -8.679 1.00 0.00 H new ATOM 0 HH TYR A 14 6.732 -17.863 -8.871 1.00 0.00 H new ATOM 239 N MET A 15 8.589 -11.870 -5.045 1.00 0.00 N ATOM 240 CA MET A 15 9.723 -11.385 -5.829 1.00 0.00 C ATOM 241 C MET A 15 11.004 -11.286 -4.982 1.00 0.00 C ATOM 242 O MET A 15 12.039 -11.847 -5.352 1.00 0.00 O ATOM 243 CB MET A 15 9.304 -10.028 -6.407 1.00 0.00 C ATOM 244 CG MET A 15 10.426 -9.346 -7.168 1.00 0.00 C ATOM 245 SD MET A 15 10.946 -10.141 -8.720 1.00 0.00 S ATOM 246 CE MET A 15 9.377 -10.175 -9.632 1.00 0.00 C ATOM 0 H MET A 15 7.843 -11.177 -4.983 1.00 0.00 H new ATOM 0 HA MET A 15 9.968 -12.082 -6.630 1.00 0.00 H new ATOM 0 HB2 MET A 15 8.452 -10.168 -7.072 1.00 0.00 H new ATOM 0 HB3 MET A 15 8.973 -9.379 -5.597 1.00 0.00 H new ATOM 0 HG2 MET A 15 10.116 -8.326 -7.393 1.00 0.00 H new ATOM 0 HG3 MET A 15 11.293 -9.278 -6.511 1.00 0.00 H new ATOM 0 HE1 MET A 15 9.576 -10.328 -10.693 1.00 0.00 H new ATOM 0 HE2 MET A 15 8.756 -10.989 -9.258 1.00 0.00 H new ATOM 0 HE3 MET A 15 8.855 -9.228 -9.494 1.00 0.00 H new ATOM 256 N LYS A 16 10.934 -10.627 -3.813 1.00 0.00 N ATOM 257 CA LYS A 16 12.039 -10.630 -2.836 1.00 0.00 C ATOM 258 C LYS A 16 12.411 -12.054 -2.408 1.00 0.00 C ATOM 259 O LYS A 16 13.591 -12.379 -2.295 1.00 0.00 O ATOM 260 CB LYS A 16 11.610 -9.756 -1.638 1.00 0.00 C ATOM 261 CG LYS A 16 12.586 -9.746 -0.451 1.00 0.00 C ATOM 262 CD LYS A 16 13.980 -9.212 -0.816 1.00 0.00 C ATOM 263 CE LYS A 16 14.906 -9.155 0.405 1.00 0.00 C ATOM 264 NZ LYS A 16 15.310 -10.507 0.885 1.00 0.00 N ATOM 0 H LYS A 16 10.122 -10.084 -3.520 1.00 0.00 H new ATOM 0 HA LYS A 16 12.940 -10.215 -3.287 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.476 -8.732 -1.986 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.638 -10.103 -1.286 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.168 -9.135 0.349 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.683 -10.759 -0.061 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.425 -9.850 -1.580 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.886 -8.216 -1.248 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.798 -8.582 0.153 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.403 -8.623 1.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.935 -10.410 1.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.463 -11.048 1.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.815 -11.008 0.126 1.00 0.00 H new ATOM 278 N GLU A 17 11.397 -12.897 -2.224 1.00 0.00 N ATOM 279 CA GLU A 17 11.607 -14.299 -1.804 1.00 0.00 C ATOM 280 C GLU A 17 12.349 -15.131 -2.874 1.00 0.00 C ATOM 281 O GLU A 17 13.162 -15.991 -2.533 1.00 0.00 O ATOM 282 CB GLU A 17 10.262 -14.936 -1.402 1.00 0.00 C ATOM 283 CG GLU A 17 10.358 -16.356 -0.818 1.00 0.00 C ATOM 284 CD GLU A 17 11.214 -16.454 0.465 1.00 0.00 C ATOM 285 OE1 GLU A 17 11.176 -15.531 1.316 1.00 0.00 O ATOM 286 OE2 GLU A 17 11.914 -17.478 0.652 1.00 0.00 O ATOM 0 H GLU A 17 10.418 -12.643 -2.357 1.00 0.00 H new ATOM 0 HA GLU A 17 12.259 -14.295 -0.931 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.778 -14.291 -0.669 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.615 -14.964 -2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.353 -16.716 -0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.777 -17.020 -1.573 1.00 0.00 H new ATOM 293 N ARG A 18 12.129 -14.817 -4.160 1.00 0.00 N ATOM 294 CA ARG A 18 12.914 -15.387 -5.280 1.00 0.00 C ATOM 295 C ARG A 18 14.355 -14.853 -5.387 1.00 0.00 C ATOM 296 O ARG A 18 15.116 -15.347 -6.222 1.00 0.00 O ATOM 297 CB ARG A 18 12.147 -15.137 -6.591 1.00 0.00 C ATOM 298 CG ARG A 18 10.833 -15.937 -6.664 1.00 0.00 C ATOM 299 CD ARG A 18 9.820 -15.248 -7.583 1.00 0.00 C ATOM 300 NE ARG A 18 10.281 -15.200 -8.985 1.00 0.00 N ATOM 301 CZ ARG A 18 9.997 -16.055 -9.953 1.00 0.00 C ATOM 302 NH1 ARG A 18 9.174 -17.053 -9.796 1.00 0.00 N ATOM 303 NH2 ARG A 18 10.552 -15.920 -11.124 1.00 0.00 N ATOM 0 H ARG A 18 11.405 -14.163 -4.458 1.00 0.00 H new ATOM 0 HA ARG A 18 13.025 -16.453 -5.083 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.927 -14.073 -6.683 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.780 -15.406 -7.436 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.036 -16.943 -7.030 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.411 -16.041 -5.665 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.868 -15.777 -7.533 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.640 -14.234 -7.227 1.00 0.00 H new ATOM 0 HE ARG A 18 10.887 -14.419 -9.235 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.717 -17.201 -8.896 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.986 -17.686 -10.573 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.205 -15.155 -11.294 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.333 -16.579 -11.871 1.00 0.00 H new ATOM 317 N LYS A 19 14.740 -13.881 -4.546 1.00 0.00 N ATOM 318 CA LYS A 19 16.093 -13.324 -4.348 1.00 0.00 C ATOM 319 C LYS A 19 16.511 -12.322 -5.432 1.00 0.00 C ATOM 320 O LYS A 19 17.705 -12.152 -5.682 1.00 0.00 O ATOM 321 CB LYS A 19 17.149 -14.418 -4.060 1.00 0.00 C ATOM 322 CG LYS A 19 16.762 -15.327 -2.881 1.00 0.00 C ATOM 323 CD LYS A 19 17.892 -16.304 -2.528 1.00 0.00 C ATOM 324 CE LYS A 19 17.461 -17.189 -1.351 1.00 0.00 C ATOM 325 NZ LYS A 19 18.532 -18.144 -0.966 1.00 0.00 N ATOM 0 H LYS A 19 14.061 -13.426 -3.936 1.00 0.00 H new ATOM 0 HA LYS A 19 16.040 -12.725 -3.439 1.00 0.00 H new ATOM 0 HB2 LYS A 19 17.286 -15.028 -4.953 1.00 0.00 H new ATOM 0 HB3 LYS A 19 18.107 -13.944 -3.848 1.00 0.00 H new ATOM 0 HG2 LYS A 19 16.524 -14.715 -2.011 1.00 0.00 H new ATOM 0 HG3 LYS A 19 15.861 -15.887 -3.132 1.00 0.00 H new ATOM 0 HD2 LYS A 19 18.134 -16.923 -3.392 1.00 0.00 H new ATOM 0 HD3 LYS A 19 18.795 -15.752 -2.269 1.00 0.00 H new ATOM 0 HE2 LYS A 19 17.207 -16.561 -0.497 1.00 0.00 H new ATOM 0 HE3 LYS A 19 16.560 -17.740 -1.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 18.207 -18.726 -0.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 18.756 -18.759 -1.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 19.383 -17.616 -0.686 1.00 0.00 H new ATOM 339 N THR A 20 15.536 -11.615 -6.019 1.00 0.00 N ATOM 340 CA THR A 20 15.820 -10.481 -6.903 1.00 0.00 C ATOM 341 C THR A 20 14.847 -9.345 -6.553 1.00 0.00 C ATOM 342 O THR A 20 13.751 -9.306 -7.112 1.00 0.00 O ATOM 343 CB THR A 20 15.738 -10.872 -8.392 1.00 0.00 C ATOM 344 OG1 THR A 20 16.498 -12.033 -8.665 1.00 0.00 O ATOM 345 CG2 THR A 20 16.314 -9.760 -9.273 1.00 0.00 C ATOM 0 H THR A 20 14.542 -11.810 -5.896 1.00 0.00 H new ATOM 0 HA THR A 20 16.845 -10.146 -6.746 1.00 0.00 H new ATOM 0 HB THR A 20 14.684 -11.045 -8.607 1.00 0.00 H new ATOM 0 HG1 THR A 20 16.424 -12.256 -9.616 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.247 -10.054 -10.320 1.00 0.00 H new ATOM 0 HG22 THR A 20 15.747 -8.842 -9.117 1.00 0.00 H new ATOM 0 HG23 THR A 20 17.358 -9.591 -9.009 1.00 0.00 H new ATOM 353 N PRO A 21 15.175 -8.473 -5.573 1.00 0.00 N ATOM 354 CA PRO A 21 14.290 -7.406 -5.085 1.00 0.00 C ATOM 355 C PRO A 21 13.651 -6.555 -6.191 1.00 0.00 C ATOM 356 O PRO A 21 14.239 -6.357 -7.256 1.00 0.00 O ATOM 357 CB PRO A 21 15.154 -6.541 -4.162 1.00 0.00 C ATOM 358 CG PRO A 21 16.205 -7.520 -3.643 1.00 0.00 C ATOM 359 CD PRO A 21 16.428 -8.455 -4.827 1.00 0.00 C ATOM 0 HA PRO A 21 13.438 -7.853 -4.573 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.610 -5.710 -4.700 1.00 0.00 H new ATOM 0 HB3 PRO A 21 14.568 -6.111 -3.349 1.00 0.00 H new ATOM 0 HG2 PRO A 21 17.124 -7.009 -3.355 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.852 -8.060 -2.764 1.00 0.00 H new ATOM 0 HD2 PRO A 21 17.248 -8.102 -5.452 1.00 0.00 H new ATOM 0 HD3 PRO A 21 16.693 -9.456 -4.488 1.00 0.00 H new ATOM 367 N ILE A 22 12.467 -5.991 -5.921 1.00 0.00 N ATOM 368 CA ILE A 22 11.738 -5.183 -6.915 1.00 0.00 C ATOM 369 C ILE A 22 12.483 -3.905 -7.341 1.00 0.00 C ATOM 370 O ILE A 22 12.242 -3.388 -8.426 1.00 0.00 O ATOM 371 CB ILE A 22 10.290 -4.914 -6.454 1.00 0.00 C ATOM 372 CG1 ILE A 22 9.390 -4.613 -7.671 1.00 0.00 C ATOM 373 CG2 ILE A 22 10.215 -3.801 -5.396 1.00 0.00 C ATOM 374 CD1 ILE A 22 7.899 -4.791 -7.356 1.00 0.00 C ATOM 0 H ILE A 22 11.991 -6.078 -5.023 1.00 0.00 H new ATOM 0 HA ILE A 22 11.685 -5.780 -7.826 1.00 0.00 H new ATOM 0 HB ILE A 22 9.918 -5.817 -5.970 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.568 -3.591 -8.007 1.00 0.00 H new ATOM 0 HG13 ILE A 22 9.665 -5.272 -8.495 1.00 0.00 H new ATOM 0 HG21 ILE A 22 9.177 -3.647 -5.102 1.00 0.00 H new ATOM 0 HG22 ILE A 22 10.800 -4.089 -4.523 1.00 0.00 H new ATOM 0 HG23 ILE A 22 10.615 -2.876 -5.812 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.310 -4.567 -8.245 1.00 0.00 H new ATOM 0 HD12 ILE A 22 7.713 -5.820 -7.047 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.614 -4.113 -6.552 1.00 0.00 H new ATOM 386 N GLU A 23 13.468 -3.448 -6.559 1.00 0.00 N ATOM 387 CA GLU A 23 14.393 -2.377 -6.980 1.00 0.00 C ATOM 388 C GLU A 23 15.250 -2.722 -8.225 1.00 0.00 C ATOM 389 O GLU A 23 16.040 -1.891 -8.682 1.00 0.00 O ATOM 390 CB GLU A 23 15.298 -1.995 -5.793 1.00 0.00 C ATOM 391 CG GLU A 23 14.511 -1.454 -4.591 1.00 0.00 C ATOM 392 CD GLU A 23 15.462 -0.983 -3.474 1.00 0.00 C ATOM 393 OE1 GLU A 23 15.872 -1.817 -2.628 1.00 0.00 O ATOM 394 OE2 GLU A 23 15.803 0.225 -3.427 1.00 0.00 O ATOM 0 H GLU A 23 13.650 -3.805 -5.621 1.00 0.00 H new ATOM 0 HA GLU A 23 13.774 -1.533 -7.284 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.870 -2.870 -5.483 1.00 0.00 H new ATOM 0 HB3 GLU A 23 16.017 -1.243 -6.118 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.879 -0.625 -4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.849 -2.230 -4.206 1.00 0.00 H new ATOM 401 N ARG A 24 15.086 -3.921 -8.812 1.00 0.00 N ATOM 402 CA ARG A 24 15.650 -4.321 -10.116 1.00 0.00 C ATOM 403 C ARG A 24 15.154 -3.438 -11.271 1.00 0.00 C ATOM 404 O ARG A 24 15.780 -3.404 -12.329 1.00 0.00 O ATOM 405 CB ARG A 24 15.410 -5.823 -10.357 1.00 0.00 C ATOM 406 CG ARG A 24 13.941 -6.214 -10.619 1.00 0.00 C ATOM 407 CD ARG A 24 13.767 -7.743 -10.708 1.00 0.00 C ATOM 408 NE ARG A 24 12.683 -8.104 -11.648 1.00 0.00 N ATOM 409 CZ ARG A 24 12.781 -8.210 -12.965 1.00 0.00 C ATOM 410 NH1 ARG A 24 13.906 -8.036 -13.600 1.00 0.00 N ATOM 411 NH2 ARG A 24 11.738 -8.461 -13.700 1.00 0.00 N ATOM 0 H ARG A 24 14.539 -4.664 -8.378 1.00 0.00 H new ATOM 0 HA ARG A 24 16.727 -4.159 -10.085 1.00 0.00 H new ATOM 0 HB2 ARG A 24 16.012 -6.140 -11.209 1.00 0.00 H new ATOM 0 HB3 ARG A 24 15.769 -6.377 -9.489 1.00 0.00 H new ATOM 0 HG2 ARG A 24 13.312 -5.822 -9.820 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.602 -5.754 -11.547 1.00 0.00 H new ATOM 0 HD2 ARG A 24 14.702 -8.200 -11.034 1.00 0.00 H new ATOM 0 HD3 ARG A 24 13.544 -8.144 -9.720 1.00 0.00 H new ATOM 0 HE ARG A 24 11.767 -8.290 -11.241 1.00 0.00 H new ATOM 0 HH11 ARG A 24 14.755 -7.809 -13.081 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.938 -8.127 -14.615 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.824 -8.580 -13.264 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.834 -8.539 -14.712 1.00 0.00 H new ATOM 425 N ILE A 25 14.058 -2.706 -11.044 1.00 0.00 N ATOM 426 CA ILE A 25 13.560 -1.611 -11.877 1.00 0.00 C ATOM 427 C ILE A 25 13.754 -0.293 -11.090 1.00 0.00 C ATOM 428 O ILE A 25 13.256 -0.175 -9.967 1.00 0.00 O ATOM 429 CB ILE A 25 12.101 -1.856 -12.332 1.00 0.00 C ATOM 430 CG1 ILE A 25 11.620 -0.667 -13.195 1.00 0.00 C ATOM 431 CG2 ILE A 25 11.133 -2.238 -11.200 1.00 0.00 C ATOM 432 CD1 ILE A 25 10.182 -0.803 -13.702 1.00 0.00 C ATOM 0 H ILE A 25 13.465 -2.872 -10.231 1.00 0.00 H new ATOM 0 HA ILE A 25 14.125 -1.546 -12.807 1.00 0.00 H new ATOM 0 HB ILE A 25 12.098 -2.751 -12.954 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.702 0.249 -12.610 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.287 -0.560 -14.051 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.135 -2.390 -11.611 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.474 -3.158 -10.724 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.103 -1.437 -10.461 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.922 0.072 -14.299 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.096 -1.700 -14.316 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.502 -0.878 -12.853 1.00 0.00 H new ATOM 444 N PRO A 26 14.512 0.691 -11.617 1.00 0.00 N ATOM 445 CA PRO A 26 14.861 1.909 -10.880 1.00 0.00 C ATOM 446 C PRO A 26 13.742 2.969 -10.892 1.00 0.00 C ATOM 447 O PRO A 26 13.461 3.567 -9.852 1.00 0.00 O ATOM 448 CB PRO A 26 16.136 2.415 -11.559 1.00 0.00 C ATOM 449 CG PRO A 26 15.993 1.950 -13.007 1.00 0.00 C ATOM 450 CD PRO A 26 15.254 0.619 -12.866 1.00 0.00 C ATOM 0 HA PRO A 26 15.007 1.701 -9.820 1.00 0.00 H new ATOM 0 HB2 PRO A 26 16.219 3.500 -11.495 1.00 0.00 H new ATOM 0 HB3 PRO A 26 17.029 1.999 -11.092 1.00 0.00 H new ATOM 0 HG2 PRO A 26 15.429 2.664 -13.607 1.00 0.00 H new ATOM 0 HG3 PRO A 26 16.963 1.825 -13.489 1.00 0.00 H new ATOM 0 HD2 PRO A 26 14.581 0.457 -13.708 1.00 0.00 H new ATOM 0 HD3 PRO A 26 15.955 -0.215 -12.853 1.00 0.00 H new ATOM 458 N TYR A 27 13.082 3.162 -12.044 1.00 0.00 N ATOM 459 CA TYR A 27 11.992 4.141 -12.193 1.00 0.00 C ATOM 460 C TYR A 27 11.005 3.699 -13.287 1.00 0.00 C ATOM 461 O TYR A 27 11.384 3.034 -14.252 1.00 0.00 O ATOM 462 CB TYR A 27 12.558 5.517 -12.594 1.00 0.00 C ATOM 463 CG TYR A 27 13.351 6.241 -11.523 1.00 0.00 C ATOM 464 CD1 TYR A 27 12.678 6.889 -10.467 1.00 0.00 C ATOM 465 CD2 TYR A 27 14.758 6.280 -11.588 1.00 0.00 C ATOM 466 CE1 TYR A 27 13.408 7.566 -9.472 1.00 0.00 C ATOM 467 CE2 TYR A 27 15.493 6.954 -10.594 1.00 0.00 C ATOM 468 CZ TYR A 27 14.821 7.598 -9.530 1.00 0.00 C ATOM 469 OH TYR A 27 15.538 8.250 -8.573 1.00 0.00 O ATOM 0 H TYR A 27 13.288 2.645 -12.899 1.00 0.00 H new ATOM 0 HA TYR A 27 11.478 4.206 -11.234 1.00 0.00 H new ATOM 0 HB2 TYR A 27 13.198 5.386 -13.467 1.00 0.00 H new ATOM 0 HB3 TYR A 27 11.729 6.155 -12.900 1.00 0.00 H new ATOM 0 HD1 TYR A 27 11.599 6.866 -10.421 1.00 0.00 H new ATOM 0 HD2 TYR A 27 15.274 5.792 -12.402 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.889 8.061 -8.664 1.00 0.00 H new ATOM 0 HE2 TYR A 27 16.572 6.979 -10.645 1.00 0.00 H new ATOM 0 HH TYR A 27 16.495 8.169 -8.769 1.00 0.00 H new ATOM 479 N LEU A 28 9.753 4.153 -13.175 1.00 0.00 N ATOM 480 CA LEU A 28 8.711 4.043 -14.205 1.00 0.00 C ATOM 481 C LEU A 28 8.633 5.369 -14.983 1.00 0.00 C ATOM 482 O LEU A 28 7.705 6.157 -14.820 1.00 0.00 O ATOM 483 CB LEU A 28 7.391 3.605 -13.537 1.00 0.00 C ATOM 484 CG LEU A 28 6.187 3.428 -14.489 1.00 0.00 C ATOM 485 CD1 LEU A 28 6.472 2.442 -15.622 1.00 0.00 C ATOM 486 CD2 LEU A 28 4.989 2.919 -13.691 1.00 0.00 C ATOM 0 H LEU A 28 9.423 4.625 -12.333 1.00 0.00 H new ATOM 0 HA LEU A 28 8.943 3.276 -14.944 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.563 2.662 -13.018 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.126 4.342 -12.779 1.00 0.00 H new ATOM 0 HG LEU A 28 5.983 4.401 -14.937 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.592 2.356 -16.260 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.315 2.800 -16.213 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.712 1.465 -15.202 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.136 2.792 -14.357 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.237 1.962 -13.233 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.738 3.640 -12.913 1.00 0.00 H new ATOM 498 N GLY A 29 9.701 5.683 -15.721 1.00 0.00 N ATOM 499 CA GLY A 29 9.802 6.937 -16.482 1.00 0.00 C ATOM 500 C GLY A 29 10.237 8.125 -15.621 1.00 0.00 C ATOM 501 O GLY A 29 11.264 8.741 -15.902 1.00 0.00 O ATOM 0 H GLY A 29 10.519 5.080 -15.810 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.515 6.805 -17.296 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.836 7.159 -16.936 1.00 0.00 H new ATOM 505 N PHE A 30 9.504 8.409 -14.539 1.00 0.00 N ATOM 506 CA PHE A 30 9.809 9.512 -13.611 1.00 0.00 C ATOM 507 C PHE A 30 9.362 9.263 -12.151 1.00 0.00 C ATOM 508 O PHE A 30 9.395 10.184 -11.329 1.00 0.00 O ATOM 509 CB PHE A 30 9.193 10.809 -14.181 1.00 0.00 C ATOM 510 CG PHE A 30 10.032 12.054 -13.947 1.00 0.00 C ATOM 511 CD1 PHE A 30 11.111 12.332 -14.807 1.00 0.00 C ATOM 512 CD2 PHE A 30 9.739 12.940 -12.890 1.00 0.00 C ATOM 513 CE1 PHE A 30 11.895 13.486 -14.614 1.00 0.00 C ATOM 514 CE2 PHE A 30 10.524 14.092 -12.692 1.00 0.00 C ATOM 515 CZ PHE A 30 11.602 14.364 -13.556 1.00 0.00 C ATOM 0 H PHE A 30 8.674 7.877 -14.277 1.00 0.00 H new ATOM 0 HA PHE A 30 10.894 9.597 -13.544 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.040 10.684 -15.253 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.210 10.958 -13.734 1.00 0.00 H new ATOM 0 HD1 PHE A 30 11.339 11.657 -15.619 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.909 12.734 -12.230 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.720 13.696 -15.278 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.300 14.766 -11.879 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.204 15.248 -13.406 1.00 0.00 H new ATOM 525 N LYS A 31 8.917 8.037 -11.825 1.00 0.00 N ATOM 526 CA LYS A 31 8.260 7.740 -10.530 1.00 0.00 C ATOM 527 C LYS A 31 8.619 6.358 -9.969 1.00 0.00 C ATOM 528 O LYS A 31 9.125 5.499 -10.690 1.00 0.00 O ATOM 529 CB LYS A 31 6.738 7.949 -10.688 1.00 0.00 C ATOM 530 CG LYS A 31 6.074 7.016 -11.722 1.00 0.00 C ATOM 531 CD LYS A 31 4.704 7.503 -12.220 1.00 0.00 C ATOM 532 CE LYS A 31 4.826 8.813 -13.018 1.00 0.00 C ATOM 533 NZ LYS A 31 3.546 9.201 -13.665 1.00 0.00 N ATOM 0 H LYS A 31 8.999 7.228 -12.441 1.00 0.00 H new ATOM 0 HA LYS A 31 8.639 8.434 -9.780 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.260 7.799 -9.720 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.553 8.983 -10.978 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.741 6.906 -12.577 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.957 6.027 -11.280 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.250 6.735 -12.846 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.040 7.655 -11.369 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.151 9.612 -12.352 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.597 8.701 -13.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.457 10.237 -13.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.533 8.853 -14.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.751 8.785 -13.139 1.00 0.00 H new ATOM 547 N GLN A 32 8.353 6.157 -8.678 1.00 0.00 N ATOM 548 CA GLN A 32 8.779 5.020 -7.836 1.00 0.00 C ATOM 549 C GLN A 32 8.016 3.691 -8.074 1.00 0.00 C ATOM 550 O GLN A 32 7.565 3.030 -7.140 1.00 0.00 O ATOM 551 CB GLN A 32 8.829 5.482 -6.360 1.00 0.00 C ATOM 552 CG GLN A 32 7.500 5.582 -5.582 1.00 0.00 C ATOM 553 CD GLN A 32 6.345 6.168 -6.390 1.00 0.00 C ATOM 554 OE1 GLN A 32 6.357 7.321 -6.799 1.00 0.00 O ATOM 555 NE2 GLN A 32 5.339 5.380 -6.693 1.00 0.00 N ATOM 0 H GLN A 32 7.795 6.827 -8.148 1.00 0.00 H new ATOM 0 HA GLN A 32 9.785 4.736 -8.146 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.481 4.797 -5.818 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.305 6.462 -6.334 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.219 4.587 -5.236 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.656 6.196 -4.695 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.325 4.418 -6.354 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.572 5.730 -7.267 1.00 0.00 H new ATOM 564 N ILE A 33 7.882 3.301 -9.346 1.00 0.00 N ATOM 565 CA ILE A 33 7.246 2.038 -9.746 1.00 0.00 C ATOM 566 C ILE A 33 5.758 1.999 -9.344 1.00 0.00 C ATOM 567 O ILE A 33 5.318 1.186 -8.530 1.00 0.00 O ATOM 568 CB ILE A 33 8.081 0.804 -9.316 1.00 0.00 C ATOM 569 CG1 ILE A 33 9.615 1.002 -9.348 1.00 0.00 C ATOM 570 CG2 ILE A 33 7.703 -0.446 -10.150 1.00 0.00 C ATOM 571 CD1 ILE A 33 10.182 1.547 -10.660 1.00 0.00 C ATOM 0 H ILE A 33 8.214 3.856 -10.134 1.00 0.00 H new ATOM 0 HA ILE A 33 7.238 1.986 -10.835 1.00 0.00 H new ATOM 0 HB ILE A 33 7.819 0.657 -8.268 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.893 1.682 -8.542 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.092 0.045 -9.136 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.305 -1.295 -9.826 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.647 -0.674 -10.006 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.891 -0.250 -11.206 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.264 1.648 -10.575 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.944 0.860 -11.472 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.742 2.522 -10.869 1.00 0.00 H new ATOM 583 N ASN A 34 4.979 2.927 -9.919 1.00 0.00 N ATOM 584 CA ASN A 34 3.507 2.988 -9.891 1.00 0.00 C ATOM 585 C ASN A 34 2.884 1.764 -10.616 1.00 0.00 C ATOM 586 O ASN A 34 2.246 1.874 -11.658 1.00 0.00 O ATOM 587 CB ASN A 34 3.067 4.359 -10.468 1.00 0.00 C ATOM 588 CG ASN A 34 2.552 5.310 -9.404 1.00 0.00 C ATOM 589 OD1 ASN A 34 3.304 5.864 -8.619 1.00 0.00 O ATOM 590 ND2 ASN A 34 1.261 5.538 -9.349 1.00 0.00 N ATOM 0 H ASN A 34 5.381 3.701 -10.447 1.00 0.00 H new ATOM 0 HA ASN A 34 3.133 2.923 -8.869 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.911 4.819 -10.981 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.288 4.200 -11.214 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.886 6.179 -8.650 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.633 5.075 -10.006 1.00 0.00 H new ATOM 597 N LEU A 35 3.136 0.562 -10.101 1.00 0.00 N ATOM 598 CA LEU A 35 2.857 -0.725 -10.745 1.00 0.00 C ATOM 599 C LEU A 35 1.353 -1.006 -10.957 1.00 0.00 C ATOM 600 O LEU A 35 0.966 -1.574 -11.975 1.00 0.00 O ATOM 601 CB LEU A 35 3.569 -1.799 -9.903 1.00 0.00 C ATOM 602 CG LEU A 35 4.180 -2.993 -10.663 1.00 0.00 C ATOM 603 CD1 LEU A 35 4.690 -3.950 -9.583 1.00 0.00 C ATOM 604 CD2 LEU A 35 3.244 -3.742 -11.608 1.00 0.00 C ATOM 0 H LEU A 35 3.560 0.451 -9.180 1.00 0.00 H new ATOM 0 HA LEU A 35 3.242 -0.723 -11.765 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.365 -1.314 -9.338 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.855 -2.189 -9.177 1.00 0.00 H new ATOM 0 HG LEU A 35 4.953 -2.603 -11.325 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.139 -4.825 -10.054 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.437 -3.444 -8.972 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.858 -4.264 -8.953 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.786 -4.559 -12.084 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.403 -4.144 -11.044 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.874 -3.058 -12.372 1.00 0.00 H new ATOM 616 N TRP A 36 0.475 -0.538 -10.060 1.00 0.00 N ATOM 617 CA TRP A 36 -0.982 -0.556 -10.285 1.00 0.00 C ATOM 618 C TRP A 36 -1.363 0.291 -11.525 1.00 0.00 C ATOM 619 O TRP A 36 -2.138 -0.146 -12.381 1.00 0.00 O ATOM 620 CB TRP A 36 -1.709 -0.073 -9.020 1.00 0.00 C ATOM 621 CG TRP A 36 -1.606 1.387 -8.701 1.00 0.00 C ATOM 622 CD1 TRP A 36 -0.561 2.004 -8.103 1.00 0.00 C ATOM 623 CD2 TRP A 36 -2.586 2.436 -8.976 1.00 0.00 C ATOM 624 NE1 TRP A 36 -0.805 3.362 -8.035 1.00 0.00 N ATOM 625 CE2 TRP A 36 -2.033 3.687 -8.568 1.00 0.00 C ATOM 626 CE3 TRP A 36 -3.886 2.461 -9.529 1.00 0.00 C ATOM 627 CZ2 TRP A 36 -2.713 4.901 -8.735 1.00 0.00 C ATOM 628 CZ3 TRP A 36 -4.595 3.673 -9.666 1.00 0.00 C ATOM 629 CH2 TRP A 36 -4.006 4.892 -9.287 1.00 0.00 C ATOM 0 H TRP A 36 0.749 -0.138 -9.163 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.297 -1.579 -10.490 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.765 -0.327 -9.117 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.323 -0.635 -8.170 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.327 1.511 -7.736 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.155 4.041 -7.639 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.344 1.538 -9.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -2.250 5.832 -8.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.598 3.664 -10.065 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.545 5.818 -9.419 1.00 0.00 H new ATOM 640 N THR A 37 -0.749 1.476 -11.673 1.00 0.00 N ATOM 641 CA THR A 37 -0.885 2.354 -12.847 1.00 0.00 C ATOM 642 C THR A 37 -0.289 1.717 -14.102 1.00 0.00 C ATOM 643 O THR A 37 -0.911 1.764 -15.158 1.00 0.00 O ATOM 644 CB THR A 37 -0.222 3.725 -12.628 1.00 0.00 C ATOM 645 OG1 THR A 37 -0.432 4.196 -11.316 1.00 0.00 O ATOM 646 CG2 THR A 37 -0.764 4.793 -13.578 1.00 0.00 C ATOM 0 H THR A 37 -0.128 1.860 -10.961 1.00 0.00 H new ATOM 0 HA THR A 37 -1.957 2.497 -12.986 1.00 0.00 H new ATOM 0 HB THR A 37 0.839 3.564 -12.818 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.357 4.016 -11.048 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.264 5.742 -13.383 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.579 4.491 -14.609 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.836 4.909 -13.421 1.00 0.00 H new ATOM 654 N MET A 38 0.875 1.069 -14.001 1.00 0.00 N ATOM 655 CA MET A 38 1.509 0.301 -15.084 1.00 0.00 C ATOM 656 C MET A 38 0.588 -0.812 -15.603 1.00 0.00 C ATOM 657 O MET A 38 0.425 -0.968 -16.813 1.00 0.00 O ATOM 658 CB MET A 38 2.829 -0.282 -14.547 1.00 0.00 C ATOM 659 CG MET A 38 3.732 -0.951 -15.584 1.00 0.00 C ATOM 660 SD MET A 38 4.864 -2.189 -14.869 1.00 0.00 S ATOM 661 CE MET A 38 5.911 -1.177 -13.789 1.00 0.00 C ATOM 0 H MET A 38 1.421 1.062 -13.139 1.00 0.00 H new ATOM 0 HA MET A 38 1.706 0.960 -15.930 1.00 0.00 H new ATOM 0 HB2 MET A 38 3.390 0.520 -14.068 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.593 -1.012 -13.773 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.111 -1.432 -16.340 1.00 0.00 H new ATOM 0 HG3 MET A 38 4.318 -0.185 -16.093 1.00 0.00 H new ATOM 0 HE1 MET A 38 6.416 -1.818 -13.067 1.00 0.00 H new ATOM 0 HE2 MET A 38 6.653 -0.652 -14.390 1.00 0.00 H new ATOM 0 HE3 MET A 38 5.294 -0.451 -13.260 1.00 0.00 H new ATOM 671 N PHE A 39 -0.057 -1.534 -14.684 1.00 0.00 N ATOM 672 CA PHE A 39 -1.080 -2.516 -15.030 1.00 0.00 C ATOM 673 C PHE A 39 -2.250 -1.889 -15.792 1.00 0.00 C ATOM 674 O PHE A 39 -2.467 -2.271 -16.944 1.00 0.00 O ATOM 675 CB PHE A 39 -1.534 -3.261 -13.768 1.00 0.00 C ATOM 676 CG PHE A 39 -2.691 -4.208 -14.020 1.00 0.00 C ATOM 677 CD1 PHE A 39 -2.525 -5.311 -14.880 1.00 0.00 C ATOM 678 CD2 PHE A 39 -3.950 -3.956 -13.442 1.00 0.00 C ATOM 679 CE1 PHE A 39 -3.605 -6.166 -15.150 1.00 0.00 C ATOM 680 CE2 PHE A 39 -5.035 -4.799 -13.728 1.00 0.00 C ATOM 681 CZ PHE A 39 -4.860 -5.899 -14.582 1.00 0.00 C ATOM 0 H PHE A 39 0.117 -1.453 -13.682 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.642 -3.243 -15.714 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.693 -3.824 -13.363 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.826 -2.534 -13.010 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.563 -5.500 -15.333 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.081 -3.114 -12.779 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.471 -7.025 -15.791 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.003 -4.602 -13.292 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.697 -6.544 -14.804 1.00 0.00 H new ATOM 691 N GLN A 40 -2.964 -0.902 -15.237 1.00 0.00 N ATOM 692 CA GLN A 40 -4.088 -0.303 -15.982 1.00 0.00 C ATOM 693 C GLN A 40 -3.655 0.412 -17.275 1.00 0.00 C ATOM 694 O GLN A 40 -4.425 0.433 -18.236 1.00 0.00 O ATOM 695 CB GLN A 40 -4.959 0.613 -15.101 1.00 0.00 C ATOM 696 CG GLN A 40 -4.199 1.796 -14.483 1.00 0.00 C ATOM 697 CD GLN A 40 -5.094 2.966 -14.089 1.00 0.00 C ATOM 698 OE1 GLN A 40 -5.774 3.562 -14.914 1.00 0.00 O ATOM 699 NE2 GLN A 40 -5.102 3.383 -12.842 1.00 0.00 N ATOM 0 H GLN A 40 -2.797 -0.510 -14.310 1.00 0.00 H new ATOM 0 HA GLN A 40 -4.706 -1.147 -16.288 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.784 0.998 -15.700 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -5.398 0.018 -14.300 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.661 1.449 -13.601 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.451 2.147 -15.194 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.542 2.900 -12.139 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -5.668 4.189 -12.578 1.00 0.00 H new ATOM 708 N ALA A 41 -2.432 0.953 -17.354 1.00 0.00 N ATOM 709 CA ALA A 41 -1.899 1.533 -18.583 1.00 0.00 C ATOM 710 C ALA A 41 -1.713 0.457 -19.655 1.00 0.00 C ATOM 711 O ALA A 41 -2.236 0.605 -20.759 1.00 0.00 O ATOM 712 CB ALA A 41 -0.590 2.270 -18.282 1.00 0.00 C ATOM 0 H ALA A 41 -1.788 0.998 -16.564 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.612 2.256 -18.978 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.195 2.701 -19.202 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.778 3.065 -17.560 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.136 1.569 -17.870 1.00 0.00 H new ATOM 718 N ALA A 42 -1.063 -0.665 -19.329 1.00 0.00 N ATOM 719 CA ALA A 42 -0.922 -1.770 -20.271 1.00 0.00 C ATOM 720 C ALA A 42 -2.287 -2.337 -20.689 1.00 0.00 C ATOM 721 O ALA A 42 -2.513 -2.554 -21.873 1.00 0.00 O ATOM 722 CB ALA A 42 -0.022 -2.838 -19.650 1.00 0.00 C ATOM 0 H ALA A 42 -0.628 -0.828 -18.421 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.456 -1.406 -21.187 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.090 -3.669 -20.346 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.957 -2.409 -19.436 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.470 -3.198 -18.724 1.00 0.00 H new ATOM 728 N GLN A 43 -3.218 -2.514 -19.742 1.00 0.00 N ATOM 729 CA GLN A 43 -4.559 -3.028 -20.043 1.00 0.00 C ATOM 730 C GLN A 43 -5.385 -2.094 -20.947 1.00 0.00 C ATOM 731 O GLN A 43 -6.117 -2.578 -21.811 1.00 0.00 O ATOM 732 CB GLN A 43 -5.321 -3.407 -18.764 1.00 0.00 C ATOM 733 CG GLN A 43 -4.683 -4.567 -17.973 1.00 0.00 C ATOM 734 CD GLN A 43 -4.471 -5.866 -18.761 1.00 0.00 C ATOM 735 OE1 GLN A 43 -5.329 -6.345 -19.491 1.00 0.00 O ATOM 736 NE2 GLN A 43 -3.320 -6.494 -18.642 1.00 0.00 N ATOM 0 H GLN A 43 -3.064 -2.307 -18.755 1.00 0.00 H new ATOM 0 HA GLN A 43 -4.407 -3.939 -20.621 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -5.383 -2.531 -18.118 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -6.342 -3.681 -19.030 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -3.719 -4.234 -17.589 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -5.312 -4.785 -17.110 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.591 -6.113 -18.039 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.157 -7.362 -19.153 1.00 0.00 H new ATOM 745 N LYS A 44 -5.210 -0.767 -20.828 1.00 0.00 N ATOM 746 CA LYS A 44 -5.830 0.201 -21.754 1.00 0.00 C ATOM 747 C LYS A 44 -5.179 0.135 -23.130 1.00 0.00 C ATOM 748 O LYS A 44 -5.886 0.106 -24.139 1.00 0.00 O ATOM 749 CB LYS A 44 -5.762 1.624 -21.166 1.00 0.00 C ATOM 750 CG LYS A 44 -6.963 1.863 -20.237 1.00 0.00 C ATOM 751 CD LYS A 44 -6.918 3.230 -19.539 1.00 0.00 C ATOM 752 CE LYS A 44 -6.051 3.178 -18.279 1.00 0.00 C ATOM 753 NZ LYS A 44 -6.042 4.481 -17.570 1.00 0.00 N ATOM 0 H LYS A 44 -4.643 -0.337 -20.097 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.880 -0.063 -21.879 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.832 1.755 -20.613 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.761 2.360 -21.970 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.884 1.787 -20.815 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.994 1.077 -19.483 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.523 3.979 -20.225 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.929 3.541 -19.276 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.425 2.402 -17.611 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.031 2.903 -18.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.881 4.323 -16.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.282 5.079 -17.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.957 4.956 -17.705 1.00 0.00 H new ATOM 767 N LEU A 45 -3.850 0.016 -23.162 1.00 0.00 N ATOM 768 CA LEU A 45 -3.113 -0.268 -24.397 1.00 0.00 C ATOM 769 C LEU A 45 -3.190 -1.758 -24.864 1.00 0.00 C ATOM 770 O LEU A 45 -2.419 -2.166 -25.735 1.00 0.00 O ATOM 771 CB LEU A 45 -1.678 0.328 -24.310 1.00 0.00 C ATOM 772 CG LEU A 45 -1.500 1.876 -24.371 1.00 0.00 C ATOM 773 CD1 LEU A 45 -2.350 2.516 -25.470 1.00 0.00 C ATOM 774 CD2 LEU A 45 -1.808 2.613 -23.070 1.00 0.00 C ATOM 0 H LEU A 45 -3.256 0.113 -22.338 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.618 0.246 -25.215 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.233 -0.018 -23.377 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.092 -0.103 -25.122 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.436 1.988 -24.582 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.191 3.594 -25.472 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.063 2.105 -26.438 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.403 2.305 -25.285 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.655 3.683 -23.213 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.844 2.429 -22.784 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.145 2.254 -22.283 1.00 0.00 H new ATOM 786 N GLY A 46 -4.135 -2.560 -24.335 1.00 0.00 N ATOM 787 CA GLY A 46 -4.450 -3.897 -24.898 1.00 0.00 C ATOM 788 C GLY A 46 -3.832 -5.113 -24.185 1.00 0.00 C ATOM 789 O GLY A 46 -3.703 -6.194 -24.763 1.00 0.00 O ATOM 0 H GLY A 46 -4.695 -2.310 -23.520 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.533 -4.018 -24.900 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.126 -3.912 -25.939 1.00 0.00 H new ATOM 793 N GLY A 47 -3.459 -4.910 -22.923 1.00 0.00 N ATOM 794 CA GLY A 47 -2.664 -5.860 -22.149 1.00 0.00 C ATOM 795 C GLY A 47 -1.308 -6.175 -22.786 1.00 0.00 C ATOM 796 O GLY A 47 -0.962 -5.683 -23.863 1.00 0.00 O ATOM 0 H GLY A 47 -3.704 -4.068 -22.402 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.503 -5.458 -21.149 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.228 -6.786 -22.034 1.00 0.00 H new ATOM 800 N TYR A 48 -0.545 -7.055 -22.133 1.00 0.00 N ATOM 801 CA TYR A 48 0.664 -7.637 -22.731 1.00 0.00 C ATOM 802 C TYR A 48 0.375 -8.311 -24.094 1.00 0.00 C ATOM 803 O TYR A 48 1.257 -8.417 -24.948 1.00 0.00 O ATOM 804 CB TYR A 48 1.262 -8.623 -21.717 1.00 0.00 C ATOM 805 CG TYR A 48 2.710 -9.003 -21.960 1.00 0.00 C ATOM 806 CD1 TYR A 48 3.741 -8.182 -21.462 1.00 0.00 C ATOM 807 CD2 TYR A 48 3.027 -10.191 -22.647 1.00 0.00 C ATOM 808 CE1 TYR A 48 5.091 -8.548 -21.641 1.00 0.00 C ATOM 809 CE2 TYR A 48 4.375 -10.553 -22.836 1.00 0.00 C ATOM 810 CZ TYR A 48 5.411 -9.736 -22.333 1.00 0.00 C ATOM 811 OH TYR A 48 6.708 -10.103 -22.516 1.00 0.00 O ATOM 0 H TYR A 48 -0.742 -7.382 -21.187 1.00 0.00 H new ATOM 0 HA TYR A 48 1.383 -6.847 -22.948 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.180 -8.189 -20.721 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.660 -9.531 -21.720 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.496 -7.268 -20.941 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.238 -10.823 -23.028 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.878 -7.921 -21.250 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.618 -11.461 -23.369 1.00 0.00 H new ATOM 0 HH TYR A 48 6.742 -10.948 -23.012 1.00 0.00 H new ATOM 821 N GLU A 49 -0.878 -8.736 -24.310 1.00 0.00 N ATOM 822 CA GLU A 49 -1.249 -9.496 -25.512 1.00 0.00 C ATOM 823 C GLU A 49 -1.188 -8.653 -26.794 1.00 0.00 C ATOM 824 O GLU A 49 -0.450 -9.005 -27.719 1.00 0.00 O ATOM 825 CB GLU A 49 -2.651 -10.102 -25.316 1.00 0.00 C ATOM 826 CG GLU A 49 -2.672 -11.160 -24.198 1.00 0.00 C ATOM 827 CD GLU A 49 -4.101 -11.666 -23.921 1.00 0.00 C ATOM 828 OE1 GLU A 49 -4.644 -12.449 -24.737 1.00 0.00 O ATOM 829 OE2 GLU A 49 -4.681 -11.285 -22.872 1.00 0.00 O ATOM 0 H GLU A 49 -1.652 -8.566 -23.668 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.517 -10.293 -25.643 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.359 -9.308 -25.077 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.984 -10.555 -26.250 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.036 -12.000 -24.479 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.253 -10.735 -23.286 1.00 0.00 H new ATOM 836 N THR A 50 -1.883 -7.508 -26.851 1.00 0.00 N ATOM 837 CA THR A 50 -1.754 -6.571 -27.978 1.00 0.00 C ATOM 838 C THR A 50 -0.369 -5.923 -27.997 1.00 0.00 C ATOM 839 O THR A 50 0.169 -5.675 -29.075 1.00 0.00 O ATOM 840 CB THR A 50 -2.848 -5.493 -27.967 1.00 0.00 C ATOM 841 OG1 THR A 50 -4.120 -6.109 -27.949 1.00 0.00 O ATOM 842 CG2 THR A 50 -2.825 -4.594 -29.210 1.00 0.00 C ATOM 0 H THR A 50 -2.540 -7.208 -26.131 1.00 0.00 H new ATOM 0 HA THR A 50 -1.881 -7.156 -28.889 1.00 0.00 H new ATOM 0 HB THR A 50 -2.658 -4.886 -27.082 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.364 -6.330 -27.026 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.623 -3.855 -29.139 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.863 -4.085 -29.273 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.973 -5.203 -30.102 1.00 0.00 H new ATOM 850 N ILE A 51 0.262 -5.704 -26.834 1.00 0.00 N ATOM 851 CA ILE A 51 1.650 -5.220 -26.776 1.00 0.00 C ATOM 852 C ILE A 51 2.607 -6.131 -27.562 1.00 0.00 C ATOM 853 O ILE A 51 3.463 -5.625 -28.292 1.00 0.00 O ATOM 854 CB ILE A 51 2.071 -5.021 -25.295 1.00 0.00 C ATOM 855 CG1 ILE A 51 2.084 -3.530 -24.900 1.00 0.00 C ATOM 856 CG2 ILE A 51 3.425 -5.646 -24.936 1.00 0.00 C ATOM 857 CD1 ILE A 51 0.674 -2.932 -24.813 1.00 0.00 C ATOM 0 H ILE A 51 -0.167 -5.854 -25.921 1.00 0.00 H new ATOM 0 HA ILE A 51 1.711 -4.250 -27.269 1.00 0.00 H new ATOM 0 HB ILE A 51 1.308 -5.551 -24.724 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.583 -3.417 -23.937 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.668 -2.969 -25.630 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.644 -5.461 -23.884 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.389 -6.720 -25.116 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.206 -5.201 -25.552 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.741 -1.881 -24.532 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.182 -3.017 -25.782 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.095 -3.472 -24.063 1.00 0.00 H new ATOM 869 N THR A 52 2.433 -7.451 -27.460 1.00 0.00 N ATOM 870 CA THR A 52 3.320 -8.420 -28.130 1.00 0.00 C ATOM 871 C THR A 52 3.140 -8.379 -29.648 1.00 0.00 C ATOM 872 O THR A 52 4.124 -8.412 -30.389 1.00 0.00 O ATOM 873 CB THR A 52 3.063 -9.843 -27.597 1.00 0.00 C ATOM 874 OG1 THR A 52 3.308 -9.893 -26.207 1.00 0.00 O ATOM 875 CG2 THR A 52 3.979 -10.897 -28.223 1.00 0.00 C ATOM 0 H THR A 52 1.683 -7.880 -26.918 1.00 0.00 H new ATOM 0 HA THR A 52 4.350 -8.142 -27.906 1.00 0.00 H new ATOM 0 HB THR A 52 2.026 -10.063 -27.850 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.614 -9.388 -25.734 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.746 -11.876 -27.805 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.826 -10.918 -29.302 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.019 -10.649 -28.009 1.00 0.00 H new ATOM 883 N ALA A 53 1.893 -8.260 -30.121 1.00 0.00 N ATOM 884 CA ALA A 53 1.600 -8.217 -31.550 1.00 0.00 C ATOM 885 C ALA A 53 1.842 -6.840 -32.207 1.00 0.00 C ATOM 886 O ALA A 53 2.013 -6.784 -33.429 1.00 0.00 O ATOM 887 CB ALA A 53 0.135 -8.640 -31.730 1.00 0.00 C ATOM 0 H ALA A 53 1.068 -8.192 -29.525 1.00 0.00 H new ATOM 0 HA ALA A 53 2.289 -8.894 -32.054 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.122 -8.620 -32.789 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.003 -9.649 -31.342 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.512 -7.951 -31.187 1.00 0.00 H new ATOM 893 N ARG A 54 1.855 -5.749 -31.416 1.00 0.00 N ATOM 894 CA ARG A 54 1.791 -4.389 -31.998 1.00 0.00 C ATOM 895 C ARG A 54 2.773 -3.343 -31.433 1.00 0.00 C ATOM 896 O ARG A 54 2.763 -2.210 -31.905 1.00 0.00 O ATOM 897 CB ARG A 54 0.301 -3.978 -31.916 1.00 0.00 C ATOM 898 CG ARG A 54 -0.124 -2.776 -32.766 1.00 0.00 C ATOM 899 CD ARG A 54 -1.655 -2.692 -32.782 1.00 0.00 C ATOM 900 NE ARG A 54 -2.118 -1.500 -33.517 1.00 0.00 N ATOM 901 CZ ARG A 54 -3.373 -1.136 -33.715 1.00 0.00 C ATOM 902 NH1 ARG A 54 -4.378 -1.849 -33.291 1.00 0.00 N ATOM 903 NH2 ARG A 54 -3.647 -0.039 -34.362 1.00 0.00 N ATOM 0 H ARG A 54 1.908 -5.777 -30.398 1.00 0.00 H new ATOM 0 HA ARG A 54 2.149 -4.421 -33.027 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.306 -4.835 -32.209 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.064 -3.760 -30.875 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.299 -1.858 -32.358 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.258 -2.879 -33.782 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.066 -3.589 -33.244 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.030 -2.660 -31.759 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.397 -0.896 -33.912 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.209 -2.720 -32.788 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.334 -1.536 -33.462 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.891 0.545 -34.719 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.618 0.236 -34.511 1.00 0.00 H new ATOM 917 N ARG A 55 3.670 -3.706 -30.498 1.00 0.00 N ATOM 918 CA ARG A 55 4.779 -2.856 -29.985 1.00 0.00 C ATOM 919 C ARG A 55 4.256 -1.543 -29.400 1.00 0.00 C ATOM 920 O ARG A 55 4.664 -0.446 -29.784 1.00 0.00 O ATOM 921 CB ARG A 55 5.876 -2.679 -31.057 1.00 0.00 C ATOM 922 CG ARG A 55 6.482 -4.016 -31.527 1.00 0.00 C ATOM 923 CD ARG A 55 7.512 -3.823 -32.652 1.00 0.00 C ATOM 924 NE ARG A 55 8.707 -3.072 -32.211 1.00 0.00 N ATOM 925 CZ ARG A 55 9.797 -3.555 -31.641 1.00 0.00 C ATOM 926 NH1 ARG A 55 9.940 -4.822 -31.369 1.00 0.00 N ATOM 927 NH2 ARG A 55 10.779 -2.760 -31.328 1.00 0.00 N ATOM 0 H ARG A 55 3.649 -4.627 -30.060 1.00 0.00 H new ATOM 0 HA ARG A 55 5.258 -3.367 -29.150 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.456 -2.155 -31.916 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.669 -2.048 -30.656 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.958 -4.514 -30.682 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.684 -4.672 -31.876 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.820 -4.799 -33.028 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.042 -3.295 -33.482 1.00 0.00 H new ATOM 0 HE ARG A 55 8.688 -2.064 -32.365 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.195 -5.480 -31.597 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.797 -5.155 -30.928 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.708 -1.761 -31.523 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.619 -3.136 -30.888 1.00 0.00 H new ATOM 941 N GLN A 56 3.322 -1.692 -28.456 1.00 0.00 N ATOM 942 CA GLN A 56 2.564 -0.555 -27.918 1.00 0.00 C ATOM 943 C GLN A 56 3.108 0.007 -26.596 1.00 0.00 C ATOM 944 O GLN A 56 2.483 0.896 -26.018 1.00 0.00 O ATOM 945 CB GLN A 56 1.057 -0.844 -27.861 1.00 0.00 C ATOM 946 CG GLN A 56 0.484 -1.234 -29.229 1.00 0.00 C ATOM 947 CD GLN A 56 -1.001 -0.910 -29.359 1.00 0.00 C ATOM 948 OE1 GLN A 56 -1.445 -0.305 -30.324 1.00 0.00 O ATOM 949 NE2 GLN A 56 -1.829 -1.279 -28.408 1.00 0.00 N ATOM 0 H GLN A 56 3.071 -2.592 -28.046 1.00 0.00 H new ATOM 0 HA GLN A 56 2.714 0.251 -28.636 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.871 -1.648 -27.149 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.535 0.038 -27.489 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.035 -0.712 -30.011 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.634 -2.301 -29.390 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.479 -1.785 -27.595 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.822 -1.060 -28.483 1.00 0.00 H new ATOM 958 N TRP A 57 4.285 -0.430 -26.120 1.00 0.00 N ATOM 959 CA TRP A 57 4.970 0.251 -25.003 1.00 0.00 C ATOM 960 C TRP A 57 5.180 1.737 -25.305 1.00 0.00 C ATOM 961 O TRP A 57 5.003 2.553 -24.409 1.00 0.00 O ATOM 962 CB TRP A 57 6.289 -0.409 -24.587 1.00 0.00 C ATOM 963 CG TRP A 57 6.169 -1.828 -24.155 1.00 0.00 C ATOM 964 CD1 TRP A 57 6.414 -2.911 -24.924 1.00 0.00 C ATOM 965 CD2 TRP A 57 5.729 -2.332 -22.855 1.00 0.00 C ATOM 966 NE1 TRP A 57 6.129 -4.053 -24.202 1.00 0.00 N ATOM 967 CE2 TRP A 57 5.655 -3.751 -22.943 1.00 0.00 C ATOM 968 CE3 TRP A 57 5.361 -1.738 -21.624 1.00 0.00 C ATOM 969 CZ2 TRP A 57 5.174 -4.541 -21.892 1.00 0.00 C ATOM 970 CZ3 TRP A 57 4.870 -2.521 -20.559 1.00 0.00 C ATOM 971 CH2 TRP A 57 4.746 -3.913 -20.714 1.00 0.00 C ATOM 0 H TRP A 57 4.780 -1.243 -26.485 1.00 0.00 H new ATOM 0 HA TRP A 57 4.301 0.152 -24.148 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.985 -0.357 -25.424 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.726 0.168 -23.772 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.775 -2.888 -25.942 1.00 0.00 H new ATOM 0 HE1 TRP A 57 6.254 -5.002 -24.556 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.458 -0.670 -21.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.133 -5.616 -21.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 4.590 -2.053 -19.627 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.317 -4.504 -19.918 1.00 0.00 H new ATOM 982 N LYS A 58 5.423 2.139 -26.561 1.00 0.00 N ATOM 983 CA LYS A 58 5.452 3.575 -26.918 1.00 0.00 C ATOM 984 C LYS A 58 4.138 4.337 -26.658 1.00 0.00 C ATOM 985 O LYS A 58 4.187 5.553 -26.487 1.00 0.00 O ATOM 986 CB LYS A 58 5.968 3.787 -28.353 1.00 0.00 C ATOM 987 CG LYS A 58 7.502 3.678 -28.485 1.00 0.00 C ATOM 988 CD LYS A 58 8.333 4.564 -27.528 1.00 0.00 C ATOM 989 CE LYS A 58 7.820 6.011 -27.421 1.00 0.00 C ATOM 990 NZ LYS A 58 8.619 6.808 -26.457 1.00 0.00 N ATOM 0 H LYS A 58 5.601 1.505 -27.340 1.00 0.00 H new ATOM 0 HA LYS A 58 6.164 4.023 -26.226 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.503 3.051 -29.009 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.651 4.770 -28.702 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.787 2.638 -28.324 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.777 3.929 -29.510 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.331 4.113 -26.536 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.368 4.579 -27.869 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.857 6.484 -28.403 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.775 6.004 -27.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.001 7.493 -25.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.046 6.174 -25.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.370 7.316 -26.966 1.00 0.00 H new ATOM 1004 N HIS A 59 3.000 3.652 -26.529 1.00 0.00 N ATOM 1005 CA HIS A 59 1.754 4.274 -26.059 1.00 0.00 C ATOM 1006 C HIS A 59 1.495 4.047 -24.552 1.00 0.00 C ATOM 1007 O HIS A 59 0.730 4.791 -23.941 1.00 0.00 O ATOM 1008 CB HIS A 59 0.595 3.768 -26.932 1.00 0.00 C ATOM 1009 CG HIS A 59 0.825 3.929 -28.417 1.00 0.00 C ATOM 1010 ND1 HIS A 59 1.263 5.065 -29.063 1.00 0.00 N ATOM 1011 CD2 HIS A 59 0.650 2.964 -29.372 1.00 0.00 C ATOM 1012 CE1 HIS A 59 1.355 4.791 -30.376 1.00 0.00 C ATOM 1013 NE2 HIS A 59 0.989 3.518 -30.615 1.00 0.00 N ATOM 0 H HIS A 59 2.913 2.659 -26.744 1.00 0.00 H new ATOM 0 HA HIS A 59 1.843 5.355 -26.164 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.423 2.714 -26.714 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -0.314 4.303 -26.656 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.311 1.954 -29.199 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.677 5.493 -31.131 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.963 3.049 -31.521 1.00 0.00 H new ATOM 1021 N ILE A 60 2.159 3.075 -23.908 1.00 0.00 N ATOM 1022 CA ILE A 60 2.194 2.971 -22.434 1.00 0.00 C ATOM 1023 C ILE A 60 3.058 4.120 -21.894 1.00 0.00 C ATOM 1024 O ILE A 60 2.729 4.701 -20.868 1.00 0.00 O ATOM 1025 CB ILE A 60 2.684 1.578 -21.965 1.00 0.00 C ATOM 1026 CG1 ILE A 60 1.649 0.508 -22.387 1.00 0.00 C ATOM 1027 CG2 ILE A 60 2.896 1.532 -20.439 1.00 0.00 C ATOM 1028 CD1 ILE A 60 2.108 -0.940 -22.179 1.00 0.00 C ATOM 0 H ILE A 60 2.684 2.343 -24.386 1.00 0.00 H new ATOM 0 HA ILE A 60 1.186 3.066 -22.030 1.00 0.00 H new ATOM 0 HB ILE A 60 3.646 1.376 -22.436 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.730 0.668 -21.824 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.407 0.651 -23.440 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.240 0.539 -20.149 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.643 2.272 -20.153 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.955 1.752 -19.934 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.321 -1.621 -22.501 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.009 -1.124 -22.764 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.321 -1.106 -21.123 1.00 0.00 H new ATOM 1040 N TYR A 61 4.109 4.511 -22.624 1.00 0.00 N ATOM 1041 CA TYR A 61 4.881 5.737 -22.410 1.00 0.00 C ATOM 1042 C TYR A 61 3.960 6.971 -22.460 1.00 0.00 C ATOM 1043 O TYR A 61 4.043 7.842 -21.591 1.00 0.00 O ATOM 1044 CB TYR A 61 6.005 5.798 -23.459 1.00 0.00 C ATOM 1045 CG TYR A 61 6.795 7.089 -23.535 1.00 0.00 C ATOM 1046 CD1 TYR A 61 6.349 8.133 -24.369 1.00 0.00 C ATOM 1047 CD2 TYR A 61 8.009 7.226 -22.833 1.00 0.00 C ATOM 1048 CE1 TYR A 61 7.101 9.316 -24.482 1.00 0.00 C ATOM 1049 CE2 TYR A 61 8.767 8.410 -22.946 1.00 0.00 C ATOM 1050 CZ TYR A 61 8.311 9.463 -23.770 1.00 0.00 C ATOM 1051 OH TYR A 61 9.020 10.615 -23.901 1.00 0.00 O ATOM 0 H TYR A 61 4.457 3.960 -23.409 1.00 0.00 H new ATOM 0 HA TYR A 61 5.335 5.733 -21.419 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.702 4.984 -23.259 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.567 5.609 -24.439 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.428 8.025 -24.923 1.00 0.00 H new ATOM 0 HD2 TYR A 61 8.361 6.421 -22.205 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.751 10.116 -25.117 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.695 8.512 -22.403 1.00 0.00 H new ATOM 0 HH TYR A 61 9.630 10.712 -23.140 1.00 0.00 H new ATOM 1061 N ASP A 62 3.037 7.004 -23.431 1.00 0.00 N ATOM 1062 CA ASP A 62 1.995 8.039 -23.490 1.00 0.00 C ATOM 1063 C ASP A 62 1.115 8.069 -22.224 1.00 0.00 C ATOM 1064 O ASP A 62 0.973 9.115 -21.589 1.00 0.00 O ATOM 1065 CB ASP A 62 1.174 7.952 -24.783 1.00 0.00 C ATOM 1066 CG ASP A 62 0.307 9.210 -24.970 1.00 0.00 C ATOM 1067 OD1 ASP A 62 0.858 10.275 -25.337 1.00 0.00 O ATOM 1068 OD2 ASP A 62 -0.928 9.135 -24.771 1.00 0.00 O ATOM 0 H ASP A 62 2.991 6.323 -24.189 1.00 0.00 H new ATOM 0 HA ASP A 62 2.509 9.000 -23.514 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.843 7.837 -25.636 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.537 7.068 -24.755 1.00 0.00 H new ATOM 1073 N GLU A 63 0.575 6.916 -21.818 1.00 0.00 N ATOM 1074 CA GLU A 63 -0.290 6.845 -20.630 1.00 0.00 C ATOM 1075 C GLU A 63 0.428 7.050 -19.275 1.00 0.00 C ATOM 1076 O GLU A 63 -0.156 7.650 -18.370 1.00 0.00 O ATOM 1077 CB GLU A 63 -1.035 5.502 -20.678 1.00 0.00 C ATOM 1078 CG GLU A 63 -2.117 5.288 -19.607 1.00 0.00 C ATOM 1079 CD GLU A 63 -3.328 6.242 -19.674 1.00 0.00 C ATOM 1080 OE1 GLU A 63 -3.473 7.043 -20.628 1.00 0.00 O ATOM 1081 OE2 GLU A 63 -4.185 6.155 -18.759 1.00 0.00 O ATOM 0 H GLU A 63 0.718 6.023 -22.289 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.980 7.688 -20.675 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.499 5.403 -21.659 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.302 4.700 -20.590 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.481 4.264 -19.685 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.654 5.388 -18.625 1.00 0.00 H new ATOM 1088 N LEU A 64 1.679 6.590 -19.112 1.00 0.00 N ATOM 1089 CA LEU A 64 2.441 6.692 -17.853 1.00 0.00 C ATOM 1090 C LEU A 64 2.920 8.121 -17.530 1.00 0.00 C ATOM 1091 O LEU A 64 3.215 8.413 -16.367 1.00 0.00 O ATOM 1092 CB LEU A 64 3.591 5.647 -17.820 1.00 0.00 C ATOM 1093 CG LEU A 64 4.897 5.975 -18.577 1.00 0.00 C ATOM 1094 CD1 LEU A 64 5.893 6.815 -17.769 1.00 0.00 C ATOM 1095 CD2 LEU A 64 5.645 4.681 -18.919 1.00 0.00 C ATOM 0 H LEU A 64 2.198 6.130 -19.860 1.00 0.00 H new ATOM 0 HA LEU A 64 1.749 6.451 -17.046 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.847 5.467 -16.776 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.201 4.710 -18.219 1.00 0.00 H new ATOM 0 HG LEU A 64 4.574 6.536 -19.454 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.783 7.002 -18.370 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.432 7.765 -17.498 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.173 6.276 -16.864 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.564 4.922 -19.453 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.888 4.148 -18.000 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.015 4.052 -19.548 1.00 0.00 H new ATOM 1107 N GLY A 65 3.007 8.992 -18.546 1.00 0.00 N ATOM 1108 CA GLY A 65 3.535 10.360 -18.386 1.00 0.00 C ATOM 1109 C GLY A 65 4.926 10.592 -19.004 1.00 0.00 C ATOM 1110 O GLY A 65 5.489 11.675 -18.831 1.00 0.00 O ATOM 0 H GLY A 65 2.716 8.772 -19.498 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.832 11.061 -18.836 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.582 10.594 -17.322 1.00 0.00 H new ATOM 1114 N GLY A 66 5.455 9.600 -19.735 1.00 0.00 N ATOM 1115 CA GLY A 66 6.772 9.702 -20.382 1.00 0.00 C ATOM 1116 C GLY A 66 7.984 10.106 -19.517 1.00 0.00 C ATOM 1117 O GLY A 66 7.978 10.042 -18.285 1.00 0.00 O ATOM 0 H GLY A 66 4.985 8.709 -19.894 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.995 8.736 -20.836 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.688 10.424 -21.194 1.00 0.00 H new ATOM 1121 N ASN A 67 9.049 10.504 -20.218 1.00 0.00 N ATOM 1122 CA ASN A 67 10.271 11.139 -19.714 1.00 0.00 C ATOM 1123 C ASN A 67 10.890 11.965 -20.870 1.00 0.00 C ATOM 1124 O ASN A 67 10.960 11.429 -21.982 1.00 0.00 O ATOM 1125 CB ASN A 67 11.247 10.047 -19.225 1.00 0.00 C ATOM 1126 CG ASN A 67 12.576 10.606 -18.727 1.00 0.00 C ATOM 1127 OD1 ASN A 67 13.320 11.254 -19.448 1.00 0.00 O ATOM 1128 ND2 ASN A 67 12.940 10.366 -17.492 1.00 0.00 N ATOM 0 H ASN A 67 9.082 10.382 -21.230 1.00 0.00 H new ATOM 0 HA ASN A 67 10.056 11.799 -18.874 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.775 9.481 -18.422 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.437 9.348 -20.039 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.832 10.718 -17.146 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.331 9.827 -16.876 1.00 0.00 H new ATOM 1135 N PRO A 68 11.333 13.225 -20.655 1.00 0.00 N ATOM 1136 CA PRO A 68 11.877 14.094 -21.706 1.00 0.00 C ATOM 1137 C PRO A 68 12.908 13.449 -22.648 1.00 0.00 C ATOM 1138 O PRO A 68 12.744 13.513 -23.869 1.00 0.00 O ATOM 1139 CB PRO A 68 12.448 15.316 -20.977 1.00 0.00 C ATOM 1140 CG PRO A 68 11.559 15.420 -19.742 1.00 0.00 C ATOM 1141 CD PRO A 68 11.263 13.962 -19.397 1.00 0.00 C ATOM 0 HA PRO A 68 11.074 14.350 -22.397 1.00 0.00 H new ATOM 0 HB2 PRO A 68 13.495 15.175 -20.710 1.00 0.00 H new ATOM 0 HB3 PRO A 68 12.394 16.215 -21.591 1.00 0.00 H new ATOM 0 HG2 PRO A 68 12.066 15.932 -18.924 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.646 15.977 -19.950 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.987 13.577 -18.679 1.00 0.00 H new ATOM 0 HD3 PRO A 68 10.278 13.862 -18.941 1.00 0.00 H new ATOM 1149 N GLY A 69 13.944 12.816 -22.086 1.00 0.00 N ATOM 1150 CA GLY A 69 15.002 12.184 -22.894 1.00 0.00 C ATOM 1151 C GLY A 69 14.994 10.650 -22.886 1.00 0.00 C ATOM 1152 O GLY A 69 15.368 10.038 -23.889 1.00 0.00 O ATOM 0 H GLY A 69 14.075 12.726 -21.079 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.906 12.528 -23.924 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.970 12.529 -22.532 1.00 0.00 H new ATOM 1156 N SER A 70 14.533 10.015 -21.801 1.00 0.00 N ATOM 1157 CA SER A 70 14.468 8.543 -21.700 1.00 0.00 C ATOM 1158 C SER A 70 13.224 7.978 -22.404 1.00 0.00 C ATOM 1159 O SER A 70 12.375 7.335 -21.788 1.00 0.00 O ATOM 1160 CB SER A 70 14.558 8.071 -20.240 1.00 0.00 C ATOM 1161 OG SER A 70 15.737 8.569 -19.624 1.00 0.00 O ATOM 0 H SER A 70 14.195 10.500 -20.970 1.00 0.00 H new ATOM 0 HA SER A 70 15.339 8.146 -22.222 1.00 0.00 H new ATOM 0 HB2 SER A 70 13.682 8.411 -19.688 1.00 0.00 H new ATOM 0 HB3 SER A 70 14.555 6.982 -20.204 1.00 0.00 H new ATOM 0 HG SER A 70 15.776 8.260 -18.695 1.00 0.00 H new ATOM 1167 N THR A 71 13.108 8.238 -23.710 1.00 0.00 N ATOM 1168 CA THR A 71 12.009 7.782 -24.583 1.00 0.00 C ATOM 1169 C THR A 71 11.730 6.271 -24.490 1.00 0.00 C ATOM 1170 O THR A 71 10.586 5.828 -24.619 1.00 0.00 O ATOM 1171 CB THR A 71 12.282 8.229 -26.032 1.00 0.00 C ATOM 1172 OG1 THR A 71 11.171 7.963 -26.861 1.00 0.00 O ATOM 1173 CG2 THR A 71 13.501 7.566 -26.683 1.00 0.00 C ATOM 0 H THR A 71 13.801 8.793 -24.212 1.00 0.00 H new ATOM 0 HA THR A 71 11.094 8.255 -24.227 1.00 0.00 H new ATOM 0 HB THR A 71 12.480 9.298 -25.948 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.367 8.257 -27.775 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.618 7.939 -27.701 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.395 7.801 -26.105 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.358 6.486 -26.707 1.00 0.00 H new ATOM 1181 N SER A 72 12.768 5.482 -24.191 1.00 0.00 N ATOM 1182 CA SER A 72 12.728 4.025 -24.008 1.00 0.00 C ATOM 1183 C SER A 72 12.108 3.549 -22.683 1.00 0.00 C ATOM 1184 O SER A 72 12.058 2.342 -22.471 1.00 0.00 O ATOM 1185 CB SER A 72 14.152 3.455 -24.120 1.00 0.00 C ATOM 1186 OG SER A 72 14.775 3.883 -25.324 1.00 0.00 O ATOM 0 H SER A 72 13.707 5.861 -24.063 1.00 0.00 H new ATOM 0 HA SER A 72 12.074 3.654 -24.797 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.745 3.777 -23.264 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.116 2.366 -24.091 1.00 0.00 H new ATOM 0 HG SER A 72 15.680 3.511 -25.374 1.00 0.00 H new ATOM 1192 N ALA A 73 11.673 4.438 -21.779 1.00 0.00 N ATOM 1193 CA ALA A 73 11.173 4.007 -20.456 1.00 0.00 C ATOM 1194 C ALA A 73 10.156 2.841 -20.456 1.00 0.00 C ATOM 1195 O ALA A 73 10.406 1.807 -19.836 1.00 0.00 O ATOM 1196 CB ALA A 73 10.613 5.238 -19.729 1.00 0.00 C ATOM 0 H ALA A 73 11.655 5.446 -21.931 1.00 0.00 H new ATOM 0 HA ALA A 73 12.028 3.583 -19.929 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.238 4.943 -18.749 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.403 5.979 -19.607 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.800 5.668 -20.314 1.00 0.00 H new ATOM 1202 N ALA A 74 9.049 2.941 -21.199 1.00 0.00 N ATOM 1203 CA ALA A 74 8.119 1.826 -21.440 1.00 0.00 C ATOM 1204 C ALA A 74 8.755 0.611 -22.154 1.00 0.00 C ATOM 1205 O ALA A 74 8.418 -0.534 -21.859 1.00 0.00 O ATOM 1206 CB ALA A 74 6.925 2.402 -22.185 1.00 0.00 C ATOM 0 H ALA A 74 8.768 3.808 -21.657 1.00 0.00 H new ATOM 0 HA ALA A 74 7.807 1.402 -20.486 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.205 1.609 -22.387 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.454 3.174 -21.576 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.259 2.837 -23.127 1.00 0.00 H new ATOM 1212 N THR A 75 9.733 0.846 -23.031 1.00 0.00 N ATOM 1213 CA THR A 75 10.476 -0.248 -23.694 1.00 0.00 C ATOM 1214 C THR A 75 11.434 -0.982 -22.739 1.00 0.00 C ATOM 1215 O THR A 75 11.757 -2.145 -22.968 1.00 0.00 O ATOM 1216 CB THR A 75 11.221 0.311 -24.923 1.00 0.00 C ATOM 1217 OG1 THR A 75 10.284 0.857 -25.830 1.00 0.00 O ATOM 1218 CG2 THR A 75 12.006 -0.731 -25.718 1.00 0.00 C ATOM 0 H THR A 75 10.035 1.781 -23.304 1.00 0.00 H new ATOM 0 HA THR A 75 9.754 -0.997 -24.019 1.00 0.00 H new ATOM 0 HB THR A 75 11.922 1.041 -24.518 1.00 0.00 H new ATOM 0 HG1 THR A 75 10.755 1.215 -26.611 1.00 0.00 H new ATOM 0 HG21 THR A 75 12.497 -0.249 -26.563 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.757 -1.189 -25.075 1.00 0.00 H new ATOM 0 HG23 THR A 75 11.324 -1.499 -26.084 1.00 0.00 H new ATOM 1226 N CYS A 76 11.836 -0.360 -21.627 1.00 0.00 N ATOM 1227 CA CYS A 76 12.550 -1.008 -20.521 1.00 0.00 C ATOM 1228 C CYS A 76 11.576 -1.547 -19.467 1.00 0.00 C ATOM 1229 O CYS A 76 11.866 -2.548 -18.826 1.00 0.00 O ATOM 1230 CB CYS A 76 13.522 0.002 -19.893 1.00 0.00 C ATOM 1231 SG CYS A 76 14.680 0.636 -21.143 1.00 0.00 S ATOM 0 H CYS A 76 11.670 0.633 -21.466 1.00 0.00 H new ATOM 0 HA CYS A 76 13.107 -1.860 -20.911 1.00 0.00 H new ATOM 0 HB2 CYS A 76 12.963 0.829 -19.454 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.076 -0.473 -19.084 1.00 0.00 H new ATOM 0 HG CYS A 76 14.051 1.438 -21.950 1.00 0.00 H new ATOM 1237 N THR A 77 10.383 -0.962 -19.341 1.00 0.00 N ATOM 1238 CA THR A 77 9.310 -1.519 -18.498 1.00 0.00 C ATOM 1239 C THR A 77 8.920 -2.938 -18.929 1.00 0.00 C ATOM 1240 O THR A 77 8.589 -3.753 -18.069 1.00 0.00 O ATOM 1241 CB THR A 77 8.084 -0.589 -18.496 1.00 0.00 C ATOM 1242 OG1 THR A 77 8.445 0.671 -17.971 1.00 0.00 O ATOM 1243 CG2 THR A 77 6.912 -1.082 -17.657 1.00 0.00 C ATOM 0 H THR A 77 10.129 -0.095 -19.815 1.00 0.00 H new ATOM 0 HA THR A 77 9.696 -1.587 -17.481 1.00 0.00 H new ATOM 0 HB THR A 77 7.764 -0.549 -19.537 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.104 1.094 -18.560 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.095 -0.363 -17.716 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.574 -2.047 -18.035 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.227 -1.189 -16.619 1.00 0.00 H new ATOM 1251 N ARG A 78 9.041 -3.279 -20.227 1.00 0.00 N ATOM 1252 CA ARG A 78 8.607 -4.583 -20.738 1.00 0.00 C ATOM 1253 C ARG A 78 9.308 -5.745 -20.064 1.00 0.00 C ATOM 1254 O ARG A 78 8.674 -6.773 -19.832 1.00 0.00 O ATOM 1255 CB ARG A 78 8.768 -4.637 -22.273 1.00 0.00 C ATOM 1256 CG ARG A 78 10.195 -4.935 -22.771 1.00 0.00 C ATOM 1257 CD ARG A 78 10.365 -4.646 -24.271 1.00 0.00 C ATOM 1258 NE ARG A 78 9.630 -5.605 -25.119 1.00 0.00 N ATOM 1259 CZ ARG A 78 10.027 -6.808 -25.502 1.00 0.00 C ATOM 1260 NH1 ARG A 78 11.174 -7.310 -25.142 1.00 0.00 N ATOM 1261 NH2 ARG A 78 9.269 -7.539 -26.268 1.00 0.00 N ATOM 0 H ARG A 78 9.437 -2.664 -20.938 1.00 0.00 H new ATOM 0 HA ARG A 78 7.550 -4.690 -20.492 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.096 -5.400 -22.666 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.446 -3.683 -22.690 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.907 -4.334 -22.205 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.434 -5.980 -22.576 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.016 -3.636 -24.485 1.00 0.00 H new ATOM 0 HD3 ARG A 78 11.424 -4.678 -24.526 1.00 0.00 H new ATOM 0 HE ARG A 78 8.712 -5.306 -25.447 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.801 -6.772 -24.544 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.445 -8.241 -25.458 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.363 -7.185 -26.576 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.581 -8.465 -26.560 1.00 0.00 H new ATOM 1275 N ARG A 79 10.594 -5.577 -19.706 1.00 0.00 N ATOM 1276 CA ARG A 79 11.379 -6.660 -19.100 1.00 0.00 C ATOM 1277 C ARG A 79 11.142 -6.827 -17.592 1.00 0.00 C ATOM 1278 O ARG A 79 11.551 -7.815 -16.980 1.00 0.00 O ATOM 1279 CB ARG A 79 12.874 -6.475 -19.435 1.00 0.00 C ATOM 1280 CG ARG A 79 13.503 -5.402 -18.532 1.00 0.00 C ATOM 1281 CD ARG A 79 14.732 -4.691 -19.100 1.00 0.00 C ATOM 1282 NE ARG A 79 15.059 -3.553 -18.224 1.00 0.00 N ATOM 1283 CZ ARG A 79 16.036 -2.679 -18.332 1.00 0.00 C ATOM 1284 NH1 ARG A 79 16.909 -2.718 -19.297 1.00 0.00 N ATOM 1285 NH2 ARG A 79 16.136 -1.736 -17.443 1.00 0.00 N ATOM 0 H ARG A 79 11.107 -4.704 -19.827 1.00 0.00 H new ATOM 0 HA ARG A 79 11.030 -7.594 -19.540 1.00 0.00 H new ATOM 0 HB2 ARG A 79 13.401 -7.421 -19.306 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.985 -6.188 -20.481 1.00 0.00 H new ATOM 0 HG2 ARG A 79 12.744 -4.652 -18.308 1.00 0.00 H new ATOM 0 HG3 ARG A 79 13.781 -5.867 -17.586 1.00 0.00 H new ATOM 0 HD2 ARG A 79 15.575 -5.379 -19.158 1.00 0.00 H new ATOM 0 HD3 ARG A 79 14.534 -4.344 -20.114 1.00 0.00 H new ATOM 0 HE ARG A 79 14.442 -3.425 -17.422 1.00 0.00 H new ATOM 0 HH11 ARG A 79 16.851 -3.447 -20.008 1.00 0.00 H new ATOM 0 HH12 ARG A 79 17.651 -2.019 -19.342 1.00 0.00 H new ATOM 0 HH21 ARG A 79 15.463 -1.683 -16.678 1.00 0.00 H new ATOM 0 HH22 ARG A 79 16.887 -1.049 -17.510 1.00 0.00 H new ATOM 1299 N HIS A 80 10.477 -5.840 -16.998 1.00 0.00 N ATOM 1300 CA HIS A 80 10.040 -5.826 -15.611 1.00 0.00 C ATOM 1301 C HIS A 80 8.598 -6.339 -15.530 1.00 0.00 C ATOM 1302 O HIS A 80 8.339 -7.276 -14.778 1.00 0.00 O ATOM 1303 CB HIS A 80 10.282 -4.418 -15.056 1.00 0.00 C ATOM 1304 CG HIS A 80 11.738 -4.011 -15.184 1.00 0.00 C ATOM 1305 ND1 HIS A 80 12.824 -4.691 -14.676 1.00 0.00 N ATOM 1306 CD2 HIS A 80 12.232 -2.895 -15.807 1.00 0.00 C ATOM 1307 CE1 HIS A 80 13.938 -4.000 -14.970 1.00 0.00 C ATOM 1308 NE2 HIS A 80 13.629 -2.894 -15.673 1.00 0.00 N ATOM 0 H HIS A 80 10.217 -4.989 -17.497 1.00 0.00 H new ATOM 0 HA HIS A 80 10.609 -6.504 -14.975 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.655 -3.703 -15.589 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.984 -4.383 -14.008 1.00 0.00 H new ATOM 0 HD1 HIS A 80 12.788 -5.572 -14.163 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.646 -2.144 -16.315 1.00 0.00 H new ATOM 0 HE1 HIS A 80 14.938 -4.290 -14.684 1.00 0.00 H new ATOM 1316 N TYR A 81 7.697 -5.863 -16.397 1.00 0.00 N ATOM 1317 CA TYR A 81 6.299 -6.304 -16.503 1.00 0.00 C ATOM 1318 C TYR A 81 6.142 -7.825 -16.665 1.00 0.00 C ATOM 1319 O TYR A 81 5.243 -8.410 -16.059 1.00 0.00 O ATOM 1320 CB TYR A 81 5.637 -5.569 -17.680 1.00 0.00 C ATOM 1321 CG TYR A 81 4.114 -5.625 -17.705 1.00 0.00 C ATOM 1322 CD1 TYR A 81 3.432 -6.782 -18.133 1.00 0.00 C ATOM 1323 CD2 TYR A 81 3.376 -4.476 -17.361 1.00 0.00 C ATOM 1324 CE1 TYR A 81 2.021 -6.810 -18.155 1.00 0.00 C ATOM 1325 CE2 TYR A 81 1.969 -4.490 -17.392 1.00 0.00 C ATOM 1326 CZ TYR A 81 1.286 -5.667 -17.773 1.00 0.00 C ATOM 1327 OH TYR A 81 -0.076 -5.695 -17.776 1.00 0.00 O ATOM 0 H TYR A 81 7.929 -5.132 -17.070 1.00 0.00 H new ATOM 0 HA TYR A 81 5.806 -6.056 -15.563 1.00 0.00 H new ATOM 0 HB2 TYR A 81 5.946 -4.524 -17.655 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.016 -5.991 -18.611 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.992 -7.651 -18.446 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.895 -3.575 -17.070 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.504 -7.706 -18.464 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.413 -3.604 -17.125 1.00 0.00 H new ATOM 0 HH TYR A 81 -0.420 -4.928 -17.272 1.00 0.00 H new ATOM 1337 N GLU A 82 7.046 -8.487 -17.406 1.00 0.00 N ATOM 1338 CA GLU A 82 7.007 -9.935 -17.645 1.00 0.00 C ATOM 1339 C GLU A 82 7.207 -10.760 -16.365 1.00 0.00 C ATOM 1340 O GLU A 82 6.912 -11.958 -16.371 1.00 0.00 O ATOM 1341 CB GLU A 82 8.015 -10.351 -18.730 1.00 0.00 C ATOM 1342 CG GLU A 82 9.464 -9.982 -18.395 1.00 0.00 C ATOM 1343 CD GLU A 82 10.462 -10.816 -19.212 1.00 0.00 C ATOM 1344 OE1 GLU A 82 10.825 -11.925 -18.748 1.00 0.00 O ATOM 1345 OE2 GLU A 82 10.888 -10.379 -20.307 1.00 0.00 O ATOM 0 H GLU A 82 7.833 -8.024 -17.860 1.00 0.00 H new ATOM 0 HA GLU A 82 6.002 -10.156 -18.005 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.949 -11.428 -18.882 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.737 -9.879 -19.672 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.626 -8.923 -18.594 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.643 -10.138 -17.331 1.00 0.00 H new ATOM 1352 N ARG A 83 7.650 -10.114 -15.268 1.00 0.00 N ATOM 1353 CA ARG A 83 7.713 -10.754 -13.946 1.00 0.00 C ATOM 1354 C ARG A 83 7.008 -9.983 -12.823 1.00 0.00 C ATOM 1355 O ARG A 83 6.774 -10.571 -11.771 1.00 0.00 O ATOM 1356 CB ARG A 83 9.168 -11.086 -13.533 1.00 0.00 C ATOM 1357 CG ARG A 83 10.060 -11.755 -14.595 1.00 0.00 C ATOM 1358 CD ARG A 83 9.590 -13.153 -15.021 1.00 0.00 C ATOM 1359 NE ARG A 83 9.973 -13.440 -16.415 1.00 0.00 N ATOM 1360 CZ ARG A 83 9.724 -14.532 -17.104 1.00 0.00 C ATOM 1361 NH1 ARG A 83 9.154 -15.584 -16.587 1.00 0.00 N ATOM 1362 NH2 ARG A 83 10.062 -14.560 -18.358 1.00 0.00 N ATOM 0 H ARG A 83 7.970 -9.145 -15.276 1.00 0.00 H new ATOM 0 HA ARG A 83 7.153 -11.681 -14.074 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.651 -10.160 -13.219 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.132 -11.739 -12.661 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.101 -11.114 -15.475 1.00 0.00 H new ATOM 0 HG3 ARG A 83 11.076 -11.828 -14.207 1.00 0.00 H new ATOM 0 HD2 ARG A 83 10.024 -13.903 -14.360 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.507 -13.224 -14.916 1.00 0.00 H new ATOM 0 HE ARG A 83 10.491 -12.708 -16.901 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.879 -15.584 -15.605 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.983 -16.407 -17.165 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.509 -13.748 -18.784 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.881 -15.394 -18.917 1.00 0.00 H new ATOM 1376 N LEU A 84 6.656 -8.702 -13.010 1.00 0.00 N ATOM 1377 CA LEU A 84 6.064 -7.883 -11.943 1.00 0.00 C ATOM 1378 C LEU A 84 4.529 -7.896 -11.945 1.00 0.00 C ATOM 1379 O LEU A 84 3.923 -7.376 -11.010 1.00 0.00 O ATOM 1380 CB LEU A 84 6.586 -6.433 -12.093 1.00 0.00 C ATOM 1381 CG LEU A 84 7.769 -6.095 -11.169 1.00 0.00 C ATOM 1382 CD1 LEU A 84 9.051 -6.852 -11.519 1.00 0.00 C ATOM 1383 CD2 LEU A 84 8.088 -4.602 -11.261 1.00 0.00 C ATOM 0 H LEU A 84 6.772 -8.209 -13.896 1.00 0.00 H new ATOM 0 HA LEU A 84 6.365 -8.313 -10.988 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.889 -6.272 -13.128 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.769 -5.741 -11.889 1.00 0.00 H new ATOM 0 HG LEU A 84 7.456 -6.390 -10.167 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.843 -6.565 -10.827 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.873 -7.925 -11.442 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.352 -6.607 -12.537 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.926 -4.368 -10.605 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.349 -4.348 -12.288 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.216 -4.024 -10.955 1.00 0.00 H new ATOM 1395 N ILE A 85 3.907 -8.440 -12.996 1.00 0.00 N ATOM 1396 CA ILE A 85 2.444 -8.367 -13.164 1.00 0.00 C ATOM 1397 C ILE A 85 1.907 -9.338 -14.219 1.00 0.00 C ATOM 1398 O ILE A 85 0.823 -9.877 -14.011 1.00 0.00 O ATOM 1399 CB ILE A 85 2.037 -6.904 -13.470 1.00 0.00 C ATOM 1400 CG1 ILE A 85 0.546 -6.701 -13.809 1.00 0.00 C ATOM 1401 CG2 ILE A 85 2.868 -6.281 -14.598 1.00 0.00 C ATOM 1402 CD1 ILE A 85 -0.402 -7.010 -12.648 1.00 0.00 C ATOM 0 H ILE A 85 4.390 -8.936 -13.745 1.00 0.00 H new ATOM 0 HA ILE A 85 1.985 -8.683 -12.227 1.00 0.00 H new ATOM 0 HB ILE A 85 2.239 -6.398 -12.526 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.393 -5.669 -14.125 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.286 -7.336 -14.656 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.539 -5.256 -14.769 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.921 -6.282 -14.317 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.735 -6.862 -15.511 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.432 -6.843 -12.965 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.279 -8.050 -12.345 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.171 -6.357 -11.806 1.00 0.00 H new ATOM 1414 N LEU A 86 2.658 -9.653 -15.280 1.00 0.00 N ATOM 1415 CA LEU A 86 2.322 -10.741 -16.211 1.00 0.00 C ATOM 1416 C LEU A 86 1.996 -12.071 -15.487 1.00 0.00 C ATOM 1417 O LEU A 86 0.962 -12.662 -15.803 1.00 0.00 O ATOM 1418 CB LEU A 86 3.448 -10.847 -17.257 1.00 0.00 C ATOM 1419 CG LEU A 86 3.270 -11.796 -18.459 1.00 0.00 C ATOM 1420 CD1 LEU A 86 3.487 -13.270 -18.114 1.00 0.00 C ATOM 1421 CD2 LEU A 86 1.918 -11.631 -19.151 1.00 0.00 C ATOM 0 H LEU A 86 3.519 -9.161 -15.520 1.00 0.00 H new ATOM 0 HA LEU A 86 1.394 -10.508 -16.733 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.624 -9.847 -17.652 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.355 -11.147 -16.733 1.00 0.00 H new ATOM 0 HG LEU A 86 4.056 -11.495 -19.151 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.345 -13.878 -19.008 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.500 -13.410 -17.737 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.771 -13.574 -17.351 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.851 -12.325 -19.989 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.118 -11.841 -18.441 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.819 -10.609 -19.517 1.00 0.00 H new ATOM 1433 N PRO A 87 2.768 -12.534 -14.472 1.00 0.00 N ATOM 1434 CA PRO A 87 2.409 -13.727 -13.698 1.00 0.00 C ATOM 1435 C PRO A 87 1.217 -13.542 -12.736 1.00 0.00 C ATOM 1436 O PRO A 87 0.722 -14.550 -12.225 1.00 0.00 O ATOM 1437 CB PRO A 87 3.681 -14.137 -12.946 1.00 0.00 C ATOM 1438 CG PRO A 87 4.432 -12.822 -12.787 1.00 0.00 C ATOM 1439 CD PRO A 87 4.108 -12.100 -14.094 1.00 0.00 C ATOM 0 HA PRO A 87 2.058 -14.502 -14.380 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.450 -14.588 -11.981 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.263 -14.867 -13.508 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.090 -12.261 -11.917 1.00 0.00 H new ATOM 0 HG3 PRO A 87 5.504 -12.978 -12.664 1.00 0.00 H new ATOM 0 HD2 PRO A 87 4.145 -11.019 -13.962 1.00 0.00 H new ATOM 0 HD3 PRO A 87 4.833 -12.351 -14.869 1.00 0.00 H new ATOM 1447 N TYR A 88 0.733 -12.317 -12.491 1.00 0.00 N ATOM 1448 CA TYR A 88 -0.429 -12.082 -11.614 1.00 0.00 C ATOM 1449 C TYR A 88 -1.725 -11.829 -12.399 1.00 0.00 C ATOM 1450 O TYR A 88 -2.762 -12.372 -12.025 1.00 0.00 O ATOM 1451 CB TYR A 88 -0.110 -11.010 -10.557 1.00 0.00 C ATOM 1452 CG TYR A 88 0.412 -11.569 -9.235 1.00 0.00 C ATOM 1453 CD1 TYR A 88 1.398 -12.580 -9.206 1.00 0.00 C ATOM 1454 CD2 TYR A 88 -0.111 -11.092 -8.017 1.00 0.00 C ATOM 1455 CE1 TYR A 88 1.852 -13.106 -7.980 1.00 0.00 C ATOM 1456 CE2 TYR A 88 0.327 -11.625 -6.789 1.00 0.00 C ATOM 1457 CZ TYR A 88 1.315 -12.629 -6.767 1.00 0.00 C ATOM 1458 OH TYR A 88 1.742 -13.126 -5.574 1.00 0.00 O ATOM 0 H TYR A 88 1.129 -11.466 -12.890 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.628 -13.002 -11.065 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.631 -10.322 -10.965 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.011 -10.429 -10.362 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.808 -12.954 -10.133 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.855 -10.310 -8.025 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.611 -13.874 -7.970 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.095 -11.263 -5.863 1.00 0.00 H new ATOM 0 HH TYR A 88 1.264 -12.680 -4.844 1.00 0.00 H new ATOM 1468 N GLU A 89 -1.680 -11.157 -13.556 1.00 0.00 N ATOM 1469 CA GLU A 89 -2.843 -11.100 -14.468 1.00 0.00 C ATOM 1470 C GLU A 89 -3.335 -12.501 -14.906 1.00 0.00 C ATOM 1471 O GLU A 89 -4.466 -12.638 -15.372 1.00 0.00 O ATOM 1472 CB GLU A 89 -2.648 -10.143 -15.661 1.00 0.00 C ATOM 1473 CG GLU A 89 -1.816 -10.682 -16.835 1.00 0.00 C ATOM 1474 CD GLU A 89 -2.085 -9.874 -18.120 1.00 0.00 C ATOM 1475 OE1 GLU A 89 -3.177 -10.037 -18.723 1.00 0.00 O ATOM 1476 OE2 GLU A 89 -1.215 -9.084 -18.548 1.00 0.00 O ATOM 0 H GLU A 89 -0.861 -10.647 -13.886 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.646 -10.664 -13.874 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.631 -9.862 -16.039 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.174 -9.232 -15.295 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.756 -10.634 -16.586 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.057 -11.732 -17.004 1.00 0.00 H new ATOM 1483 N ARG A 90 -2.524 -13.550 -14.670 1.00 0.00 N ATOM 1484 CA ARG A 90 -2.973 -14.948 -14.820 1.00 0.00 C ATOM 1485 C ARG A 90 -4.246 -15.269 -14.032 1.00 0.00 C ATOM 1486 O ARG A 90 -5.079 -16.008 -14.554 1.00 0.00 O ATOM 1487 CB ARG A 90 -1.870 -15.942 -14.422 1.00 0.00 C ATOM 1488 CG ARG A 90 -0.651 -15.916 -15.357 1.00 0.00 C ATOM 1489 CD ARG A 90 0.325 -17.058 -15.036 1.00 0.00 C ATOM 1490 NE ARG A 90 0.846 -16.959 -13.661 1.00 0.00 N ATOM 1491 CZ ARG A 90 1.593 -17.826 -13.008 1.00 0.00 C ATOM 1492 NH1 ARG A 90 1.992 -18.944 -13.538 1.00 0.00 N ATOM 1493 NH2 ARG A 90 1.949 -17.565 -11.784 1.00 0.00 N ATOM 0 H ARG A 90 -1.552 -13.455 -14.374 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.203 -15.058 -15.880 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.543 -15.721 -13.406 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.287 -16.949 -14.411 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.982 -15.999 -16.392 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.138 -14.959 -15.262 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.180 -18.015 -15.166 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.155 -17.037 -15.742 1.00 0.00 H new ATOM 0 HE ARG A 90 0.597 -16.112 -13.150 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.727 -19.178 -14.495 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.570 -19.587 -12.997 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.650 -16.697 -11.340 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.527 -18.229 -11.269 1.00 0.00 H new ATOM 1507 N PHE A 91 -4.480 -14.703 -12.842 1.00 0.00 N ATOM 1508 CA PHE A 91 -5.772 -14.930 -12.162 1.00 0.00 C ATOM 1509 C PHE A 91 -6.980 -14.262 -12.856 1.00 0.00 C ATOM 1510 O PHE A 91 -8.114 -14.678 -12.630 1.00 0.00 O ATOM 1511 CB PHE A 91 -5.695 -14.660 -10.646 1.00 0.00 C ATOM 1512 CG PHE A 91 -5.180 -13.307 -10.178 1.00 0.00 C ATOM 1513 CD1 PHE A 91 -5.850 -12.117 -10.521 1.00 0.00 C ATOM 1514 CD2 PHE A 91 -4.047 -13.241 -9.342 1.00 0.00 C ATOM 1515 CE1 PHE A 91 -5.357 -10.873 -10.086 1.00 0.00 C ATOM 1516 CE2 PHE A 91 -3.565 -11.999 -8.892 1.00 0.00 C ATOM 1517 CZ PHE A 91 -4.212 -10.814 -9.275 1.00 0.00 C ATOM 0 H PHE A 91 -3.823 -14.105 -12.341 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.972 -15.997 -12.266 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.695 -14.796 -10.233 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.061 -15.428 -10.204 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.747 -12.159 -11.121 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.546 -14.150 -9.045 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.860 -9.962 -10.376 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -2.697 -11.957 -8.251 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.830 -9.859 -8.947 1.00 0.00 H new ATOM 1527 N ILE A 92 -6.745 -13.305 -13.763 1.00 0.00 N ATOM 1528 CA ILE A 92 -7.806 -12.704 -14.603 1.00 0.00 C ATOM 1529 C ILE A 92 -7.947 -13.408 -15.965 1.00 0.00 C ATOM 1530 O ILE A 92 -8.881 -13.134 -16.722 1.00 0.00 O ATOM 1531 CB ILE A 92 -7.585 -11.167 -14.771 1.00 0.00 C ATOM 1532 CG1 ILE A 92 -6.902 -10.492 -13.551 1.00 0.00 C ATOM 1533 CG2 ILE A 92 -8.933 -10.462 -15.041 1.00 0.00 C ATOM 1534 CD1 ILE A 92 -6.568 -9.008 -13.737 1.00 0.00 C ATOM 0 H ILE A 92 -5.817 -12.921 -13.940 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.750 -12.853 -14.079 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.908 -11.057 -15.618 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -7.554 -10.597 -12.684 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -5.982 -11.031 -13.324 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.767 -9.391 -15.156 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -9.376 -10.861 -15.954 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.609 -10.636 -14.204 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.094 -8.626 -12.833 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -5.887 -8.891 -14.580 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.484 -8.450 -13.930 1.00 0.00 H new ATOM 1546 N LYS A 93 -7.046 -14.356 -16.257 1.00 0.00 N ATOM 1547 CA LYS A 93 -6.931 -14.923 -17.612 1.00 0.00 C ATOM 1548 C LYS A 93 -6.877 -16.458 -17.697 1.00 0.00 C ATOM 1549 O LYS A 93 -7.138 -17.006 -18.768 1.00 0.00 O ATOM 1550 CB LYS A 93 -5.679 -14.309 -18.257 1.00 0.00 C ATOM 1551 CG LYS A 93 -5.673 -12.785 -18.482 1.00 0.00 C ATOM 1552 CD LYS A 93 -6.670 -12.327 -19.558 1.00 0.00 C ATOM 1553 CE LYS A 93 -6.657 -10.804 -19.755 1.00 0.00 C ATOM 1554 NZ LYS A 93 -5.393 -10.307 -20.355 1.00 0.00 N ATOM 0 H LYS A 93 -6.390 -14.745 -15.580 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.850 -14.669 -18.141 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -4.821 -14.561 -17.634 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.525 -14.793 -19.222 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.908 -12.285 -17.542 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -4.669 -12.471 -18.769 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.431 -12.815 -20.503 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.674 -12.646 -19.279 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.493 -10.519 -20.394 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.811 -10.317 -18.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.504 -9.307 -20.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.621 -10.399 -19.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.167 -10.866 -21.202 1.00 0.00 H new ATOM 1568 N GLY A 94 -6.575 -17.143 -16.588 1.00 0.00 N ATOM 1569 CA GLY A 94 -6.463 -18.614 -16.572 1.00 0.00 C ATOM 1570 C GLY A 94 -7.094 -19.289 -15.348 1.00 0.00 C ATOM 1571 O GLY A 94 -7.400 -20.480 -15.408 1.00 0.00 O ATOM 0 H GLY A 94 -6.402 -16.704 -15.684 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.933 -19.011 -17.472 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.408 -18.885 -16.617 1.00 0.00 H new ATOM 1575 N GLU A 95 -7.374 -18.536 -14.275 1.00 0.00 N ATOM 1576 CA GLU A 95 -8.101 -19.018 -13.080 1.00 0.00 C ATOM 1577 C GLU A 95 -9.426 -18.277 -12.821 1.00 0.00 C ATOM 1578 O GLU A 95 -10.093 -18.508 -11.814 1.00 0.00 O ATOM 1579 CB GLU A 95 -7.188 -18.970 -11.839 1.00 0.00 C ATOM 1580 CG GLU A 95 -5.868 -19.752 -11.959 1.00 0.00 C ATOM 1581 CD GLU A 95 -6.051 -21.270 -12.176 1.00 0.00 C ATOM 1582 OE1 GLU A 95 -6.986 -21.876 -11.598 1.00 0.00 O ATOM 1583 OE2 GLU A 95 -5.224 -21.883 -12.896 1.00 0.00 O ATOM 0 H GLU A 95 -7.099 -17.556 -14.207 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.377 -20.053 -13.284 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.954 -17.928 -11.621 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -7.744 -19.358 -10.985 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.291 -19.344 -12.789 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.281 -19.593 -11.054 1.00 0.00 H new ATOM 1590 N GLU A 96 -9.805 -17.420 -13.774 1.00 0.00 N ATOM 1591 CA GLU A 96 -10.991 -16.539 -13.811 1.00 0.00 C ATOM 1592 C GLU A 96 -11.519 -16.077 -12.431 1.00 0.00 C ATOM 1593 O GLU A 96 -12.705 -16.214 -12.116 1.00 0.00 O ATOM 1594 CB GLU A 96 -12.084 -17.142 -14.719 1.00 0.00 C ATOM 1595 CG GLU A 96 -12.596 -18.531 -14.305 1.00 0.00 C ATOM 1596 CD GLU A 96 -13.913 -18.866 -15.035 1.00 0.00 C ATOM 1597 OE1 GLU A 96 -14.988 -18.422 -14.563 1.00 0.00 O ATOM 1598 OE2 GLU A 96 -13.884 -19.567 -16.078 1.00 0.00 O ATOM 0 H GLU A 96 -9.243 -17.310 -14.618 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.656 -15.603 -14.257 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -12.930 -16.455 -14.745 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.694 -17.206 -15.735 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.844 -19.285 -14.537 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -12.754 -18.559 -13.227 1.00 0.00 H new ATOM 1605 N ASP A 97 -10.636 -15.523 -11.591 1.00 0.00 N ATOM 1606 CA ASP A 97 -10.944 -15.249 -10.175 1.00 0.00 C ATOM 1607 C ASP A 97 -11.832 -14.007 -9.930 1.00 0.00 C ATOM 1608 O ASP A 97 -12.160 -13.699 -8.780 1.00 0.00 O ATOM 1609 CB ASP A 97 -9.603 -15.127 -9.430 1.00 0.00 C ATOM 1610 CG ASP A 97 -9.747 -15.177 -7.896 1.00 0.00 C ATOM 1611 OD1 ASP A 97 -10.303 -16.172 -7.367 1.00 0.00 O ATOM 1612 OD2 ASP A 97 -9.261 -14.245 -7.210 1.00 0.00 O ATOM 0 H ASP A 97 -9.692 -15.252 -11.868 1.00 0.00 H new ATOM 0 HA ASP A 97 -11.545 -16.076 -9.798 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -8.943 -15.932 -9.752 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -9.123 -14.190 -9.712 1.00 0.00 H new ATOM 1617 N LYS A 98 -12.239 -13.310 -11.008 1.00 0.00 N ATOM 1618 CA LYS A 98 -13.122 -12.123 -10.922 1.00 0.00 C ATOM 1619 C LYS A 98 -12.769 -11.092 -9.816 1.00 0.00 C ATOM 1620 O LYS A 98 -13.656 -10.687 -9.059 1.00 0.00 O ATOM 1621 CB LYS A 98 -14.596 -12.598 -10.889 1.00 0.00 C ATOM 1622 CG LYS A 98 -14.973 -13.436 -12.127 1.00 0.00 C ATOM 1623 CD LYS A 98 -16.293 -14.201 -11.945 1.00 0.00 C ATOM 1624 CE LYS A 98 -16.412 -15.341 -12.970 1.00 0.00 C ATOM 1625 NZ LYS A 98 -15.526 -16.490 -12.632 1.00 0.00 N ATOM 0 H LYS A 98 -11.968 -13.550 -11.962 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.951 -11.532 -11.822 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.764 -13.189 -9.989 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.253 -11.730 -10.828 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -15.054 -12.780 -12.994 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -14.173 -14.145 -12.338 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.346 -14.608 -10.935 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -17.133 -13.516 -12.058 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -17.446 -15.682 -13.015 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.157 -14.966 -13.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -15.533 -17.176 -13.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -14.556 -16.147 -12.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -15.870 -16.950 -11.765 1.00 0.00 H new ATOM 1639 N PRO A 99 -11.503 -10.624 -9.715 1.00 0.00 N ATOM 1640 CA PRO A 99 -11.089 -9.616 -8.727 1.00 0.00 C ATOM 1641 C PRO A 99 -11.542 -8.182 -9.076 1.00 0.00 C ATOM 1642 O PRO A 99 -11.317 -7.257 -8.294 1.00 0.00 O ATOM 1643 CB PRO A 99 -9.560 -9.707 -8.714 1.00 0.00 C ATOM 1644 CG PRO A 99 -9.234 -10.018 -10.172 1.00 0.00 C ATOM 1645 CD PRO A 99 -10.367 -10.963 -10.568 1.00 0.00 C ATOM 0 HA PRO A 99 -11.550 -9.816 -7.760 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -9.101 -8.774 -8.386 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -9.206 -10.490 -8.043 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -9.223 -9.118 -10.786 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -8.257 -10.489 -10.278 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -10.622 -10.843 -11.621 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -10.072 -12.003 -10.428 1.00 0.00 H new ATOM 1653 N LEU A 100 -12.132 -7.981 -10.263 1.00 0.00 N ATOM 1654 CA LEU A 100 -12.460 -6.646 -10.776 1.00 0.00 C ATOM 1655 C LEU A 100 -13.611 -5.967 -9.988 1.00 0.00 C ATOM 1656 O LEU A 100 -14.417 -6.666 -9.362 1.00 0.00 O ATOM 1657 CB LEU A 100 -12.829 -6.782 -12.269 1.00 0.00 C ATOM 1658 CG LEU A 100 -11.754 -7.437 -13.164 1.00 0.00 C ATOM 1659 CD1 LEU A 100 -12.264 -7.532 -14.601 1.00 0.00 C ATOM 1660 CD2 LEU A 100 -10.439 -6.654 -13.175 1.00 0.00 C ATOM 0 H LEU A 100 -12.394 -8.739 -10.893 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.590 -6.002 -10.650 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -13.746 -7.366 -12.347 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.049 -5.790 -12.663 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.561 -8.425 -12.747 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -11.502 -7.995 -15.228 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -13.171 -8.137 -14.626 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -12.484 -6.532 -14.976 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.720 -7.159 -13.820 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.618 -5.647 -13.551 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.041 -6.597 -12.162 1.00 0.00 H new ATOM 1672 N PRO A 101 -13.730 -4.622 -10.028 1.00 0.00 N ATOM 1673 CA PRO A 101 -14.830 -3.880 -9.397 1.00 0.00 C ATOM 1674 C PRO A 101 -16.247 -4.324 -9.838 1.00 0.00 C ATOM 1675 O PRO A 101 -16.401 -4.878 -10.931 1.00 0.00 O ATOM 1676 CB PRO A 101 -14.591 -2.407 -9.758 1.00 0.00 C ATOM 1677 CG PRO A 101 -13.090 -2.331 -10.010 1.00 0.00 C ATOM 1678 CD PRO A 101 -12.780 -3.691 -10.627 1.00 0.00 C ATOM 0 HA PRO A 101 -14.818 -4.070 -8.324 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -15.160 -2.115 -10.641 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -14.895 -1.743 -8.949 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -12.834 -1.514 -10.684 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -12.533 -2.169 -9.087 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.890 -3.663 -11.711 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.753 -3.991 -10.418 1.00 0.00 H new ATOM 1686 N PRO A 102 -17.306 -4.006 -9.058 1.00 0.00 N ATOM 1687 CA PRO A 102 -18.718 -4.314 -9.360 1.00 0.00 C ATOM 1688 C PRO A 102 -19.292 -3.849 -10.715 1.00 0.00 C ATOM 1689 O PRO A 102 -20.423 -4.218 -11.043 1.00 0.00 O ATOM 1690 CB PRO A 102 -19.530 -3.692 -8.217 1.00 0.00 C ATOM 1691 CG PRO A 102 -18.555 -3.677 -7.049 1.00 0.00 C ATOM 1692 CD PRO A 102 -17.216 -3.407 -7.729 1.00 0.00 C ATOM 0 HA PRO A 102 -18.783 -5.399 -9.445 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -19.870 -2.687 -8.468 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -20.418 -4.282 -7.990 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -18.804 -2.902 -6.324 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -18.552 -4.626 -6.513 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -17.023 -2.336 -7.797 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -16.395 -3.844 -7.160 1.00 0.00 H new ATOM 1700 N ILE A 103 -18.534 -3.089 -11.521 1.00 0.00 N ATOM 1701 CA ILE A 103 -19.031 -2.606 -12.832 1.00 0.00 C ATOM 1702 C ILE A 103 -18.828 -3.609 -13.979 1.00 0.00 C ATOM 1703 O ILE A 103 -19.083 -3.301 -15.146 1.00 0.00 O ATOM 1704 CB ILE A 103 -18.457 -1.211 -13.172 1.00 0.00 C ATOM 1705 CG1 ILE A 103 -16.927 -1.251 -13.402 1.00 0.00 C ATOM 1706 CG2 ILE A 103 -18.854 -0.203 -12.076 1.00 0.00 C ATOM 1707 CD1 ILE A 103 -16.331 0.083 -13.864 1.00 0.00 C ATOM 0 H ILE A 103 -17.583 -2.795 -11.297 1.00 0.00 H new ATOM 0 HA ILE A 103 -20.111 -2.508 -12.726 1.00 0.00 H new ATOM 0 HB ILE A 103 -18.891 -0.881 -14.116 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -16.439 -1.554 -12.476 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -16.702 -2.015 -14.146 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -18.447 0.778 -12.320 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -19.941 -0.141 -12.015 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -18.455 -0.533 -11.117 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -15.256 -0.028 -14.003 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -16.790 0.379 -14.807 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -16.523 0.847 -13.111 1.00 0.00 H new ATOM 1719 N LYS A 104 -18.387 -4.809 -13.595 1.00 0.00 N ATOM 1720 CA LYS A 104 -18.140 -5.937 -14.523 1.00 0.00 C ATOM 1721 C LYS A 104 -17.434 -5.540 -15.841 1.00 0.00 C ATOM 1722 O LYS A 104 -18.048 -5.623 -16.908 1.00 0.00 O ATOM 1723 CB LYS A 104 -19.467 -6.703 -14.716 1.00 0.00 C ATOM 1724 CG LYS A 104 -19.948 -7.370 -13.410 1.00 0.00 C ATOM 1725 CD LYS A 104 -21.418 -7.818 -13.469 1.00 0.00 C ATOM 1726 CE LYS A 104 -22.427 -6.655 -13.473 1.00 0.00 C ATOM 1727 NZ LYS A 104 -22.482 -5.932 -12.171 1.00 0.00 N ATOM 0 H LYS A 104 -18.186 -5.037 -12.621 1.00 0.00 H new ATOM 0 HA LYS A 104 -17.408 -6.608 -14.073 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -20.233 -6.015 -15.075 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -19.337 -7.465 -15.485 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -19.319 -8.234 -13.197 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -19.820 -6.671 -12.583 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -21.568 -8.419 -14.366 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -21.625 -8.463 -12.615 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -22.161 -5.952 -14.262 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -23.418 -7.041 -13.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -23.298 -5.288 -12.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -22.578 -6.619 -11.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -21.608 -5.384 -12.041 1.00 0.00 H new ATOM 1741 N PRO A 105 -16.165 -5.072 -15.799 1.00 0.00 N ATOM 1742 CA PRO A 105 -15.441 -4.542 -16.968 1.00 0.00 C ATOM 1743 C PRO A 105 -15.362 -5.447 -18.215 1.00 0.00 C ATOM 1744 O PRO A 105 -15.128 -4.937 -19.314 1.00 0.00 O ATOM 1745 CB PRO A 105 -14.031 -4.209 -16.469 1.00 0.00 C ATOM 1746 CG PRO A 105 -14.220 -3.965 -14.976 1.00 0.00 C ATOM 1747 CD PRO A 105 -15.331 -4.945 -14.606 1.00 0.00 C ATOM 0 HA PRO A 105 -16.006 -3.684 -17.333 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -13.337 -5.029 -16.655 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -13.627 -3.329 -16.970 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -13.306 -4.161 -14.416 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -14.506 -2.934 -14.769 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -14.919 -5.910 -14.313 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -15.912 -4.576 -13.761 1.00 0.00 H new ATOM 1755 N ARG A 106 -15.566 -6.767 -18.069 1.00 0.00 N ATOM 1756 CA ARG A 106 -15.485 -7.776 -19.149 1.00 0.00 C ATOM 1757 C ARG A 106 -16.841 -8.381 -19.573 1.00 0.00 C ATOM 1758 O ARG A 106 -16.859 -9.415 -20.248 1.00 0.00 O ATOM 1759 CB ARG A 106 -14.445 -8.852 -18.778 1.00 0.00 C ATOM 1760 CG ARG A 106 -14.835 -9.706 -17.553 1.00 0.00 C ATOM 1761 CD ARG A 106 -14.205 -11.104 -17.607 1.00 0.00 C ATOM 1762 NE ARG A 106 -14.813 -11.921 -18.680 1.00 0.00 N ATOM 1763 CZ ARG A 106 -14.478 -13.150 -19.032 1.00 0.00 C ATOM 1764 NH1 ARG A 106 -13.524 -13.810 -18.437 1.00 0.00 N ATOM 1765 NH2 ARG A 106 -15.107 -13.745 -20.005 1.00 0.00 N ATOM 0 H ARG A 106 -15.800 -7.179 -17.166 1.00 0.00 H new ATOM 0 HA ARG A 106 -15.153 -7.251 -20.044 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -14.297 -9.510 -19.634 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -13.490 -8.366 -18.580 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -14.518 -9.200 -16.641 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -15.920 -9.798 -17.505 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -13.132 -11.016 -17.776 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -14.337 -11.603 -16.647 1.00 0.00 H new ATOM 0 HE ARG A 106 -15.573 -11.489 -19.205 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -13.007 -13.379 -17.671 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -13.295 -14.757 -18.738 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -15.859 -13.262 -20.496 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -14.847 -14.694 -20.276 1.00 0.00 H new ATOM 1779 N LYS A 107 -17.958 -7.772 -19.148 1.00 0.00 N ATOM 1780 CA LYS A 107 -19.313 -8.191 -19.570 1.00 0.00 C ATOM 1781 C LYS A 107 -19.528 -8.181 -21.097 1.00 0.00 C ATOM 1782 O LYS A 107 -20.292 -9.044 -21.586 1.00 0.00 O ATOM 1783 CB LYS A 107 -20.374 -7.358 -18.822 1.00 0.00 C ATOM 1784 CG LYS A 107 -20.361 -5.859 -19.178 1.00 0.00 C ATOM 1785 CD LYS A 107 -21.247 -5.052 -18.214 1.00 0.00 C ATOM 1786 CE LYS A 107 -21.069 -3.540 -18.398 1.00 0.00 C ATOM 1787 NZ LYS A 107 -19.742 -3.072 -17.913 1.00 0.00 N ATOM 1788 OXT LYS A 107 -18.949 -7.318 -21.795 1.00 0.00 O ATOM 0 H LYS A 107 -17.954 -6.979 -18.506 1.00 0.00 H new ATOM 0 HA LYS A 107 -19.425 -9.239 -19.292 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -21.361 -7.764 -19.042 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -20.216 -7.467 -17.749 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -19.339 -5.482 -19.139 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -20.713 -5.722 -20.201 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -22.292 -5.316 -18.375 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -21.005 -5.323 -17.186 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -21.179 -3.288 -19.453 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -21.858 -3.014 -17.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -19.682 -2.038 -18.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -19.625 -3.335 -16.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -18.990 -3.516 -18.478 1.00 0.00 H new TER 1802 LYS A 107