USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 922 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 48 HIS : no HE2:sc= -5.53! C(o=-5.4!,f=-10!) USER MOD Set 1.2: A 82 THR OG1 : rot -133:sc= 0.134 USER MOD Set 2.1: A 60 GLN : amide:sc= -3.12! C(o=-11!,f=-6.4!) USER MOD Set 2.2: A 76 ASN : amide:sc= -7.53! C(o=-11!,f=-6.4!) USER MOD Set 3.1: A 73 TYR OH : rot 63:sc= 1.77 USER MOD Set 3.2: A 115 TYR OH : rot 179:sc= 1.11 USER MOD Set 4.1: A 30 MET CE :methyl 169:sc= -3.06! (180deg=-0.491) USER MOD Set 4.2: A 44 ASN : amide:sc= -3.69! C(o=-6.7!,f=-9.6!) USER MOD Set 5.1: A 35 MET CE :methyl 169:sc= -0.0205 (180deg=-0.311) USER MOD Set 5.2: A 41 LYS NZ :NH3+ -150:sc= 0 (180deg=0) USER MOD Set 6.1: A 11 GLN : amide:sc= -0.933 K(o=-11,f=-10) USER MOD Set 6.2: A 12 HIS : no HD1:sc= -10.4! C(o=-11!,f=-8.1!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0193 X(o=-0.019,f=-0.15) USER MOD Single : A 13 MET CE :methyl -136:sc= -0.16 (180deg=-1.67!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -59:sc= 0.865 USER MOD Single : A 21 SER OG : rot -160:sc= 0.0773 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot -145:sc= 0.237 USER MOD Single : A 27 ASN : amide:sc= -3.46! C(o=-3.5!,f=-5.6!) USER MOD Single : A 28 GLN : amide:sc= -0.0934 X(o=-0.093,f=0) USER MOD Single : A 29 MET CE :methyl 165:sc= -0.115 (180deg=-0.698) USER MOD Single : A 34 ASN : amide:sc= -1.24 K(o=-1.2,f=-3!) USER MOD Single : A 36 THR OG1 : rot 81:sc= -2.58 USER MOD Single : A 37 GLN : amide:sc= -0.305 K(o=-0.31,f=-3.2!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -5.31! C(o=-5.3!,f=-3!) USER MOD Single : A 56 ASN : amide:sc= -0.287 X(o=-0.29,f=-0.12) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00445 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -3.06 K(o=-3.1,f=-0.8) USER MOD Single : A 69 GLN : amide:sc= -0.473 X(o=-0.47,f=-0.62) USER MOD Single : A 71 ASN : amide:sc= -4.97! C(o=-5!,f=-3.1!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 112:sc= 1.25 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -114:sc= -1.59 (180deg=-5.16!) USER MOD Single : A 80 HIS : no HD1:sc= -6.99! C(o=-7!,f=-6.7!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.192 X(o=-0.19,f=-0.017) USER MOD Single : A 90 SER OG : rot 100:sc= 1.25 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -2.39! C(o=-2.4!,f=-2.1!) USER MOD Single : A 97 TYR OH : rot 87:sc= 0.176 USER MOD Single : A 99 THR OG1 : rot 92:sc= 1.91 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -1.93! K(o=-1.9!,f=0.34) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= -4.64! C(o=-4.6!,f=-2.8!) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N ARG A 4 -5.663 -1.255 -7.201 1.00 1.21 N ATOM 50 CA ARG A 4 -6.851 -1.679 -7.932 1.00 42.20 C ATOM 51 C ARG A 4 -6.471 -2.309 -9.268 1.00 65.44 C ATOM 52 O ARG A 4 -6.694 -3.499 -9.491 1.00 14.12 O ATOM 53 CB ARG A 4 -7.784 -0.489 -8.164 1.00 73.35 C ATOM 54 CG ARG A 4 -9.159 -0.885 -8.679 1.00 22.13 C ATOM 55 CD ARG A 4 -10.151 0.261 -8.556 1.00 23.12 C ATOM 56 NE ARG A 4 -10.977 0.144 -7.357 1.00 63.21 N ATOM 57 CZ ARG A 4 -12.090 -0.579 -7.299 1.00 63.13 C ATOM 58 NH1 ARG A 4 -12.507 -1.246 -8.366 1.00 52.25 N ATOM 59 NH2 ARG A 4 -12.787 -0.636 -6.172 1.00 32.31 N ATOM 0 HA ARG A 4 -7.369 -2.427 -7.332 1.00 42.20 H new ATOM 0 HB2 ARG A 4 -7.899 0.059 -7.229 1.00 73.35 H new ATOM 0 HB3 ARG A 4 -7.320 0.192 -8.878 1.00 73.35 H new ATOM 0 HG2 ARG A 4 -9.084 -1.192 -9.722 1.00 22.13 H new ATOM 0 HG3 ARG A 4 -9.524 -1.746 -8.119 1.00 22.13 H new ATOM 0 HD2 ARG A 4 -9.611 1.207 -8.533 1.00 23.12 H new ATOM 0 HD3 ARG A 4 -10.792 0.282 -9.437 1.00 23.12 H new ATOM 0 HE ARG A 4 -10.683 0.645 -6.518 1.00 63.21 H new ATOM 0 HH11 ARG A 4 -11.973 -1.205 -9.234 1.00 52.25 H new ATOM 0 HH12 ARG A 4 -13.362 -1.800 -8.319 1.00 52.25 H new ATOM 0 HH21 ARG A 4 -12.469 -0.124 -5.349 1.00 32.31 H new ATOM 0 HH22 ARG A 4 -13.641 -1.191 -6.128 1.00 32.31 H new ATOM 73 N ALA A 5 -5.895 -1.503 -10.155 1.00 22.54 N ATOM 74 CA ALA A 5 -5.482 -1.983 -11.468 1.00 12.41 C ATOM 75 C ALA A 5 -4.493 -3.137 -11.345 1.00 53.14 C ATOM 76 O ALA A 5 -4.517 -4.076 -12.141 1.00 72.02 O ATOM 77 CB ALA A 5 -4.873 -0.847 -12.277 1.00 11.13 C ATOM 0 H ALA A 5 -5.704 -0.515 -9.988 1.00 22.54 H new ATOM 0 HA ALA A 5 -6.366 -2.352 -11.988 1.00 12.41 H new ATOM 0 HB1 ALA A 5 -4.569 -1.219 -13.255 1.00 11.13 H new ATOM 0 HB2 ALA A 5 -5.610 -0.054 -12.404 1.00 11.13 H new ATOM 0 HB3 ALA A 5 -4.003 -0.452 -11.752 1.00 11.13 H new ATOM 83 N LYS A 6 -3.623 -3.061 -10.344 1.00 14.21 N ATOM 84 CA LYS A 6 -2.626 -4.099 -10.116 1.00 24.20 C ATOM 85 C LYS A 6 -3.287 -5.464 -9.957 1.00 34.32 C ATOM 86 O LYS A 6 -2.837 -6.455 -10.532 1.00 71.24 O ATOM 87 CB LYS A 6 -1.797 -3.774 -8.871 1.00 64.33 C ATOM 88 CG LYS A 6 -0.760 -2.687 -9.097 1.00 70.45 C ATOM 89 CD LYS A 6 0.569 -3.270 -9.548 1.00 3.32 C ATOM 90 CE LYS A 6 1.556 -3.365 -8.394 1.00 34.01 C ATOM 91 NZ LYS A 6 1.461 -4.674 -7.690 1.00 13.21 N ATOM 0 H LYS A 6 -3.589 -2.290 -9.677 1.00 14.21 H new ATOM 0 HA LYS A 6 -1.969 -4.133 -10.985 1.00 24.20 H new ATOM 0 HB2 LYS A 6 -2.467 -3.464 -8.069 1.00 64.33 H new ATOM 0 HB3 LYS A 6 -1.294 -4.680 -8.533 1.00 64.33 H new ATOM 0 HG2 LYS A 6 -1.124 -1.986 -9.848 1.00 70.45 H new ATOM 0 HG3 LYS A 6 -0.617 -2.122 -8.176 1.00 70.45 H new ATOM 0 HD2 LYS A 6 0.408 -4.261 -9.973 1.00 3.32 H new ATOM 0 HD3 LYS A 6 0.990 -2.649 -10.339 1.00 3.32 H new ATOM 0 HE2 LYS A 6 2.570 -3.228 -8.771 1.00 34.01 H new ATOM 0 HE3 LYS A 6 1.367 -2.558 -7.687 1.00 34.01 H new ATOM 0 HZ1 LYS A 6 2.149 -4.700 -6.911 1.00 13.21 H new ATOM 0 HZ2 LYS A 6 0.501 -4.794 -7.308 1.00 13.21 H new ATOM 0 HZ3 LYS A 6 1.667 -5.444 -8.359 1.00 13.21 H new ATOM 105 N LYS A 7 -4.360 -5.509 -9.173 1.00 64.14 N ATOM 106 CA LYS A 7 -5.086 -6.752 -8.940 1.00 40.31 C ATOM 107 C LYS A 7 -5.595 -7.339 -10.253 1.00 11.14 C ATOM 108 O LYS A 7 -5.632 -8.557 -10.426 1.00 71.22 O ATOM 109 CB LYS A 7 -6.260 -6.509 -7.988 1.00 64.42 C ATOM 110 CG LYS A 7 -6.537 -7.675 -7.055 1.00 65.52 C ATOM 111 CD LYS A 7 -6.152 -7.347 -5.622 1.00 51.34 C ATOM 112 CE LYS A 7 -7.379 -7.205 -4.735 1.00 21.25 C ATOM 113 NZ LYS A 7 -8.150 -5.970 -5.047 1.00 32.21 N ATOM 0 H LYS A 7 -4.746 -4.699 -8.688 1.00 64.14 H new ATOM 0 HA LYS A 7 -4.399 -7.466 -8.486 1.00 40.31 H new ATOM 0 HB2 LYS A 7 -6.056 -5.619 -7.393 1.00 64.42 H new ATOM 0 HB3 LYS A 7 -7.156 -6.303 -8.574 1.00 64.42 H new ATOM 0 HG2 LYS A 7 -7.595 -7.933 -7.098 1.00 65.52 H new ATOM 0 HG3 LYS A 7 -5.981 -8.551 -7.391 1.00 65.52 H new ATOM 0 HD2 LYS A 7 -5.506 -8.132 -5.229 1.00 51.34 H new ATOM 0 HD3 LYS A 7 -5.577 -6.421 -5.601 1.00 51.34 H new ATOM 0 HE2 LYS A 7 -8.022 -8.076 -4.862 1.00 21.25 H new ATOM 0 HE3 LYS A 7 -7.071 -7.186 -3.690 1.00 21.25 H new ATOM 0 HZ1 LYS A 7 -8.978 -5.910 -4.421 1.00 32.21 H new ATOM 0 HZ2 LYS A 7 -7.545 -5.137 -4.901 1.00 32.21 H new ATOM 0 HZ3 LYS A 7 -8.466 -5.999 -6.037 1.00 32.21 H new ATOM 127 N PHE A 8 -5.985 -6.465 -11.175 1.00 34.04 N ATOM 128 CA PHE A 8 -6.492 -6.897 -12.472 1.00 21.41 C ATOM 129 C PHE A 8 -5.409 -7.624 -13.264 1.00 21.43 C ATOM 130 O PHE A 8 -5.673 -8.641 -13.906 1.00 4.51 O ATOM 131 CB PHE A 8 -7.003 -5.696 -13.270 1.00 11.03 C ATOM 132 CG PHE A 8 -7.493 -6.053 -14.644 1.00 21.51 C ATOM 133 CD1 PHE A 8 -8.715 -6.683 -14.816 1.00 30.40 C ATOM 134 CD2 PHE A 8 -6.732 -5.759 -15.763 1.00 64.25 C ATOM 135 CE1 PHE A 8 -9.168 -7.014 -16.079 1.00 65.13 C ATOM 136 CE2 PHE A 8 -7.179 -6.087 -17.029 1.00 72.24 C ATOM 137 CZ PHE A 8 -8.399 -6.715 -17.187 1.00 53.44 C ATOM 0 H PHE A 8 -5.960 -5.453 -11.048 1.00 34.04 H new ATOM 0 HA PHE A 8 -7.318 -7.587 -12.300 1.00 21.41 H new ATOM 0 HB2 PHE A 8 -7.813 -5.220 -12.717 1.00 11.03 H new ATOM 0 HB3 PHE A 8 -6.203 -4.961 -13.358 1.00 11.03 H new ATOM 0 HD1 PHE A 8 -9.320 -6.918 -13.953 1.00 30.40 H new ATOM 0 HD2 PHE A 8 -5.778 -5.267 -15.645 1.00 64.25 H new ATOM 0 HE1 PHE A 8 -10.122 -7.506 -16.200 1.00 65.13 H new ATOM 0 HE2 PHE A 8 -6.575 -5.853 -17.893 1.00 72.24 H new ATOM 0 HZ PHE A 8 -8.751 -6.972 -18.175 1.00 53.44 H new ATOM 147 N GLN A 9 -4.191 -7.095 -13.212 1.00 62.24 N ATOM 148 CA GLN A 9 -3.068 -7.693 -13.926 1.00 12.23 C ATOM 149 C GLN A 9 -2.892 -9.156 -13.535 1.00 20.42 C ATOM 150 O GLN A 9 -3.039 -10.053 -14.366 1.00 15.14 O ATOM 151 CB GLN A 9 -1.782 -6.917 -13.637 1.00 21.03 C ATOM 152 CG GLN A 9 -1.478 -5.838 -14.664 1.00 33.22 C ATOM 153 CD GLN A 9 -1.883 -4.455 -14.194 1.00 53.22 C ATOM 154 OE1 GLN A 9 -1.164 -3.810 -13.431 1.00 24.54 O ATOM 155 NE2 GLN A 9 -3.041 -3.990 -14.650 1.00 22.14 N ATOM 0 H GLN A 9 -3.956 -6.255 -12.684 1.00 62.24 H new ATOM 0 HA GLN A 9 -3.281 -7.645 -14.994 1.00 12.23 H new ATOM 0 HB2 GLN A 9 -1.859 -6.458 -12.652 1.00 21.03 H new ATOM 0 HB3 GLN A 9 -0.947 -7.616 -13.599 1.00 21.03 H new ATOM 0 HG2 GLN A 9 -0.411 -5.844 -14.887 1.00 33.22 H new ATOM 0 HG3 GLN A 9 -1.999 -6.069 -15.593 1.00 33.22 H new ATOM 0 HE21 GLN A 9 -3.606 -4.558 -15.281 1.00 22.14 H new ATOM 0 HE22 GLN A 9 -3.365 -3.065 -14.369 1.00 22.14 H new ATOM 164 N ARG A 10 -2.575 -9.391 -12.266 1.00 13.24 N ATOM 165 CA ARG A 10 -2.377 -10.746 -11.765 1.00 53.22 C ATOM 166 C ARG A 10 -3.694 -11.517 -11.748 1.00 41.21 C ATOM 167 O ARG A 10 -3.736 -12.681 -11.352 1.00 35.20 O ATOM 168 CB ARG A 10 -1.776 -10.710 -10.359 1.00 34.22 C ATOM 169 CG ARG A 10 -2.641 -9.978 -9.346 1.00 3.34 C ATOM 170 CD ARG A 10 -3.047 -10.889 -8.198 1.00 0.22 C ATOM 171 NE ARG A 10 -2.281 -10.616 -6.985 1.00 24.11 N ATOM 172 CZ ARG A 10 -2.700 -10.931 -5.764 1.00 64.24 C ATOM 173 NH1 ARG A 10 -3.872 -11.527 -5.596 1.00 21.23 N ATOM 174 NH2 ARG A 10 -1.945 -10.651 -4.710 1.00 12.44 N ATOM 0 H ARG A 10 -2.450 -8.660 -11.566 1.00 13.24 H new ATOM 0 HA ARG A 10 -1.685 -11.257 -12.435 1.00 53.22 H new ATOM 0 HB2 ARG A 10 -1.615 -11.732 -10.016 1.00 34.22 H new ATOM 0 HB3 ARG A 10 -0.798 -10.231 -10.403 1.00 34.22 H new ATOM 0 HG2 ARG A 10 -2.097 -9.119 -8.955 1.00 3.34 H new ATOM 0 HG3 ARG A 10 -3.533 -9.593 -9.839 1.00 3.34 H new ATOM 0 HD2 ARG A 10 -4.110 -10.761 -7.992 1.00 0.22 H new ATOM 0 HD3 ARG A 10 -2.902 -11.929 -8.492 1.00 0.22 H new ATOM 0 HE ARG A 10 -1.374 -10.158 -7.080 1.00 24.11 H new ATOM 0 HH11 ARG A 10 -4.454 -11.745 -6.405 1.00 21.23 H new ATOM 0 HH12 ARG A 10 -4.192 -11.768 -4.658 1.00 21.23 H new ATOM 0 HH21 ARG A 10 -1.042 -10.194 -4.836 1.00 12.44 H new ATOM 0 HH22 ARG A 10 -2.267 -10.893 -3.773 1.00 12.44 H new ATOM 188 N GLN A 11 -4.765 -10.859 -12.180 1.00 1.42 N ATOM 189 CA GLN A 11 -6.082 -11.482 -12.212 1.00 74.45 C ATOM 190 C GLN A 11 -6.329 -12.163 -13.555 1.00 33.13 C ATOM 191 O GLN A 11 -6.609 -13.361 -13.613 1.00 24.11 O ATOM 192 CB GLN A 11 -7.170 -10.440 -11.948 1.00 52.23 C ATOM 193 CG GLN A 11 -7.758 -10.515 -10.548 1.00 71.35 C ATOM 194 CD GLN A 11 -8.844 -9.483 -10.315 1.00 24.20 C ATOM 195 OE1 GLN A 11 -9.687 -9.246 -11.180 1.00 35.31 O ATOM 196 NE2 GLN A 11 -8.828 -8.862 -9.141 1.00 61.33 N ATOM 0 H GLN A 11 -4.746 -9.895 -12.512 1.00 1.42 H new ATOM 0 HA GLN A 11 -6.117 -12.239 -11.429 1.00 74.45 H new ATOM 0 HB2 GLN A 11 -6.754 -9.445 -12.105 1.00 52.23 H new ATOM 0 HB3 GLN A 11 -7.970 -10.570 -12.677 1.00 52.23 H new ATOM 0 HG2 GLN A 11 -8.168 -11.512 -10.383 1.00 71.35 H new ATOM 0 HG3 GLN A 11 -6.963 -10.372 -9.816 1.00 71.35 H new ATOM 0 HE21 GLN A 11 -8.110 -9.090 -8.453 1.00 61.33 H new ATOM 0 HE22 GLN A 11 -9.534 -8.157 -8.927 1.00 61.33 H new ATOM 205 N HIS A 12 -6.225 -11.392 -14.632 1.00 42.42 N ATOM 206 CA HIS A 12 -6.437 -11.921 -15.975 1.00 3.32 C ATOM 207 C HIS A 12 -5.169 -11.796 -16.814 1.00 42.22 C ATOM 208 O HIS A 12 -4.847 -12.682 -17.606 1.00 15.33 O ATOM 209 CB HIS A 12 -7.590 -11.186 -16.659 1.00 62.12 C ATOM 210 CG HIS A 12 -8.748 -10.910 -15.750 1.00 62.44 C ATOM 211 ND1 HIS A 12 -9.911 -11.652 -15.767 1.00 5.52 N ATOM 212 CD2 HIS A 12 -8.917 -9.969 -14.793 1.00 10.04 C ATOM 213 CE1 HIS A 12 -10.745 -11.177 -14.860 1.00 14.23 C ATOM 214 NE2 HIS A 12 -10.166 -10.156 -14.254 1.00 54.32 N ATOM 0 H HIS A 12 -5.995 -10.399 -14.602 1.00 42.42 H new ATOM 0 HA HIS A 12 -6.691 -12.977 -15.887 1.00 3.32 H new ATOM 0 HB2 HIS A 12 -7.221 -10.242 -17.061 1.00 62.12 H new ATOM 0 HB3 HIS A 12 -7.937 -11.779 -17.506 1.00 62.12 H new ATOM 0 HD2 HIS A 12 -8.203 -9.212 -14.506 1.00 10.04 H new ATOM 0 HE1 HIS A 12 -11.733 -11.559 -14.649 1.00 14.23 H new ATOM 0 HE2 HIS A 12 -10.579 -9.597 -13.507 1.00 54.32 H new ATOM 222 N MET A 13 -4.453 -10.690 -16.636 1.00 33.21 N ATOM 223 CA MET A 13 -3.220 -10.450 -17.377 1.00 34.40 C ATOM 224 C MET A 13 -2.145 -11.459 -16.985 1.00 35.11 C ATOM 225 O MET A 13 -1.516 -11.333 -15.934 1.00 73.02 O ATOM 226 CB MET A 13 -2.717 -9.028 -17.125 1.00 53.32 C ATOM 227 CG MET A 13 -3.791 -7.965 -17.292 1.00 52.12 C ATOM 228 SD MET A 13 -4.655 -8.092 -18.870 1.00 34.44 S ATOM 229 CE MET A 13 -3.314 -7.786 -20.016 1.00 61.52 C ATOM 0 H MET A 13 -4.706 -9.946 -15.985 1.00 33.21 H new ATOM 0 HA MET A 13 -3.435 -10.569 -18.439 1.00 34.40 H new ATOM 0 HB2 MET A 13 -2.312 -8.968 -16.115 1.00 53.32 H new ATOM 0 HB3 MET A 13 -1.897 -8.815 -17.810 1.00 53.32 H new ATOM 0 HG2 MET A 13 -4.512 -8.052 -16.479 1.00 52.12 H new ATOM 0 HG3 MET A 13 -3.336 -6.978 -17.210 1.00 52.12 H new ATOM 0 HE1 MET A 13 -3.650 -7.102 -20.795 1.00 61.52 H new ATOM 0 HE2 MET A 13 -2.473 -7.343 -19.482 1.00 61.52 H new ATOM 0 HE3 MET A 13 -3.001 -8.727 -20.469 1.00 61.52 H new ATOM 239 N ASP A 14 -1.941 -12.459 -17.835 1.00 64.01 N ATOM 240 CA ASP A 14 -0.941 -13.489 -17.577 1.00 70.14 C ATOM 241 C ASP A 14 0.136 -13.484 -18.658 1.00 74.12 C ATOM 242 O ASP A 14 0.887 -14.448 -18.805 1.00 34.34 O ATOM 243 CB ASP A 14 -1.603 -14.866 -17.506 1.00 52.01 C ATOM 244 CG ASP A 14 -0.591 -15.994 -17.467 1.00 0.14 C ATOM 245 OD1 ASP A 14 0.078 -16.153 -16.425 1.00 25.42 O ATOM 246 OD2 ASP A 14 -0.468 -16.717 -18.478 1.00 4.42 O ATOM 0 H ASP A 14 -2.454 -12.579 -18.708 1.00 64.01 H new ATOM 0 HA ASP A 14 -0.470 -13.271 -16.619 1.00 70.14 H new ATOM 0 HB2 ASP A 14 -2.234 -14.917 -16.619 1.00 52.01 H new ATOM 0 HB3 ASP A 14 -2.256 -14.997 -18.369 1.00 52.01 H new ATOM 251 N SER A 15 0.204 -12.392 -19.413 1.00 73.43 N ATOM 252 CA SER A 15 1.185 -12.264 -20.484 1.00 40.23 C ATOM 253 C SER A 15 2.489 -12.964 -20.113 1.00 72.15 C ATOM 254 O SER A 15 3.183 -13.504 -20.975 1.00 42.20 O ATOM 255 CB SER A 15 1.453 -10.788 -20.784 1.00 42.24 C ATOM 256 OG SER A 15 1.891 -10.103 -19.624 1.00 10.33 O ATOM 0 H SER A 15 -0.408 -11.584 -19.303 1.00 73.43 H new ATOM 0 HA SER A 15 0.778 -12.741 -21.375 1.00 40.23 H new ATOM 0 HB2 SER A 15 2.207 -10.704 -21.566 1.00 42.24 H new ATOM 0 HB3 SER A 15 0.545 -10.321 -21.165 1.00 42.24 H new ATOM 0 HG SER A 15 2.057 -9.162 -19.843 1.00 10.33 H new ATOM 262 N ASP A 16 2.814 -12.951 -18.826 1.00 3.13 N ATOM 263 CA ASP A 16 4.034 -13.585 -18.339 1.00 31.23 C ATOM 264 C ASP A 16 4.229 -14.954 -18.983 1.00 35.45 C ATOM 265 O ASP A 16 5.149 -15.153 -19.775 1.00 71.44 O ATOM 266 CB ASP A 16 3.988 -13.725 -16.816 1.00 64.44 C ATOM 267 CG ASP A 16 3.955 -12.383 -16.112 1.00 60.31 C ATOM 268 OD1 ASP A 16 3.241 -11.479 -16.593 1.00 41.01 O ATOM 269 OD2 ASP A 16 4.644 -12.237 -15.080 1.00 74.13 O ATOM 0 H ASP A 16 2.250 -12.509 -18.100 1.00 3.13 H new ATOM 0 HA ASP A 16 4.878 -12.952 -18.612 1.00 31.23 H new ATOM 0 HB2 ASP A 16 3.107 -14.302 -16.534 1.00 64.44 H new ATOM 0 HB3 ASP A 16 4.859 -14.287 -16.479 1.00 64.44 H new ATOM 274 N SER A 17 3.357 -15.895 -18.635 1.00 75.51 N ATOM 275 CA SER A 17 3.435 -17.248 -19.175 1.00 44.32 C ATOM 276 C SER A 17 3.172 -17.249 -20.678 1.00 14.41 C ATOM 277 O SER A 17 2.901 -16.205 -21.272 1.00 73.34 O ATOM 278 CB SER A 17 2.431 -18.161 -18.469 1.00 44.02 C ATOM 279 OG SER A 17 2.948 -18.630 -17.236 1.00 65.42 O ATOM 0 H SER A 17 2.588 -15.746 -17.982 1.00 75.51 H new ATOM 0 HA SER A 17 4.443 -17.625 -19.000 1.00 44.32 H new ATOM 0 HB2 SER A 17 1.502 -17.619 -18.295 1.00 44.02 H new ATOM 0 HB3 SER A 17 2.190 -19.008 -19.112 1.00 44.02 H new ATOM 0 HG SER A 17 2.287 -19.210 -16.803 1.00 65.42 H new ATOM 285 N SER A 18 3.253 -18.428 -21.286 1.00 3.21 N ATOM 286 CA SER A 18 3.027 -18.566 -22.720 1.00 4.41 C ATOM 287 C SER A 18 1.797 -19.424 -22.996 1.00 72.10 C ATOM 288 O SER A 18 1.487 -20.364 -22.264 1.00 30.12 O ATOM 289 CB SER A 18 4.255 -19.182 -23.394 1.00 52.10 C ATOM 290 OG SER A 18 5.117 -18.178 -23.901 1.00 15.53 O ATOM 0 H SER A 18 3.473 -19.302 -20.808 1.00 3.21 H new ATOM 0 HA SER A 18 2.855 -17.572 -23.133 1.00 4.41 H new ATOM 0 HB2 SER A 18 4.795 -19.801 -22.677 1.00 52.10 H new ATOM 0 HB3 SER A 18 3.938 -19.837 -24.206 1.00 52.10 H new ATOM 0 HG SER A 18 5.894 -18.598 -24.325 1.00 15.53 H new ATOM 296 N PRO A 19 1.077 -19.094 -24.079 1.00 21.13 N ATOM 297 CA PRO A 19 -0.131 -19.822 -24.478 1.00 51.11 C ATOM 298 C PRO A 19 0.180 -21.224 -24.991 1.00 14.11 C ATOM 299 O PRO A 19 1.293 -21.722 -24.828 1.00 63.10 O ATOM 300 CB PRO A 19 -0.711 -18.958 -25.601 1.00 23.00 C ATOM 301 CG PRO A 19 0.460 -18.223 -26.156 1.00 61.02 C ATOM 302 CD PRO A 19 1.388 -17.986 -24.997 1.00 12.52 C ATOM 0 HA PRO A 19 -0.813 -19.971 -23.641 1.00 51.11 H new ATOM 0 HB2 PRO A 19 -1.192 -19.570 -26.364 1.00 23.00 H new ATOM 0 HB3 PRO A 19 -1.467 -18.270 -25.221 1.00 23.00 H new ATOM 0 HG2 PRO A 19 0.951 -18.804 -26.937 1.00 61.02 H new ATOM 0 HG3 PRO A 19 0.151 -17.280 -26.607 1.00 61.02 H new ATOM 0 HD2 PRO A 19 2.432 -18.003 -25.308 1.00 12.52 H new ATOM 0 HD3 PRO A 19 1.210 -17.017 -24.532 1.00 12.52 H new ATOM 310 N SER A 20 -0.812 -21.855 -25.611 1.00 61.35 N ATOM 311 CA SER A 20 -0.645 -23.202 -26.145 1.00 41.14 C ATOM 312 C SER A 20 -0.284 -24.185 -25.036 1.00 71.31 C ATOM 313 O SER A 20 0.650 -24.975 -25.171 1.00 44.12 O ATOM 314 CB SER A 20 0.438 -23.214 -27.226 1.00 23.43 C ATOM 315 OG SER A 20 0.626 -24.520 -27.745 1.00 2.45 O ATOM 0 H SER A 20 -1.739 -21.456 -25.756 1.00 61.35 H new ATOM 0 HA SER A 20 -1.592 -23.512 -26.586 1.00 41.14 H new ATOM 0 HB2 SER A 20 0.159 -22.536 -28.032 1.00 23.43 H new ATOM 0 HB3 SER A 20 1.376 -22.846 -26.810 1.00 23.43 H new ATOM 0 HG SER A 20 0.878 -25.128 -27.019 1.00 2.45 H new ATOM 321 N SER A 21 -1.032 -24.131 -23.939 1.00 15.50 N ATOM 322 CA SER A 21 -0.790 -25.013 -22.804 1.00 12.04 C ATOM 323 C SER A 21 -1.441 -26.375 -23.025 1.00 54.25 C ATOM 324 O SER A 21 -0.757 -27.375 -23.240 1.00 23.01 O ATOM 325 CB SER A 21 -1.326 -24.382 -21.517 1.00 31.31 C ATOM 326 OG SER A 21 -0.696 -23.140 -21.257 1.00 23.11 O ATOM 0 H SER A 21 -1.811 -23.485 -23.812 1.00 15.50 H new ATOM 0 HA SER A 21 0.287 -25.155 -22.710 1.00 12.04 H new ATOM 0 HB2 SER A 21 -2.403 -24.236 -21.601 1.00 31.31 H new ATOM 0 HB3 SER A 21 -1.160 -25.060 -20.680 1.00 31.31 H new ATOM 0 HG SER A 21 -0.796 -22.915 -20.309 1.00 23.11 H new ATOM 332 N SER A 22 -2.769 -26.404 -22.972 1.00 72.50 N ATOM 333 CA SER A 22 -3.514 -27.643 -23.163 1.00 34.31 C ATOM 334 C SER A 22 -3.276 -28.605 -22.003 1.00 0.12 C ATOM 335 O SER A 22 -3.284 -29.823 -22.180 1.00 62.01 O ATOM 336 CB SER A 22 -3.112 -28.307 -24.481 1.00 73.14 C ATOM 337 OG SER A 22 -4.251 -28.759 -25.193 1.00 53.32 O ATOM 0 H SER A 22 -3.351 -25.584 -22.799 1.00 72.50 H new ATOM 0 HA SER A 22 -4.575 -27.397 -23.197 1.00 34.31 H new ATOM 0 HB2 SER A 22 -2.554 -27.599 -25.093 1.00 73.14 H new ATOM 0 HB3 SER A 22 -2.447 -29.147 -24.281 1.00 73.14 H new ATOM 0 HG SER A 22 -3.967 -29.178 -26.032 1.00 53.32 H new ATOM 343 N SER A 23 -3.064 -28.048 -20.815 1.00 10.13 N ATOM 344 CA SER A 23 -2.819 -28.855 -19.625 1.00 13.31 C ATOM 345 C SER A 23 -3.411 -28.189 -18.386 1.00 75.42 C ATOM 346 O SER A 23 -4.032 -27.129 -18.472 1.00 71.23 O ATOM 347 CB SER A 23 -1.318 -29.074 -19.431 1.00 44.34 C ATOM 348 OG SER A 23 -0.627 -27.838 -19.357 1.00 35.22 O ATOM 0 H SER A 23 -3.057 -27.041 -20.651 1.00 10.13 H new ATOM 0 HA SER A 23 -3.305 -29.821 -19.765 1.00 13.31 H new ATOM 0 HB2 SER A 23 -1.146 -29.646 -18.519 1.00 44.34 H new ATOM 0 HB3 SER A 23 -0.924 -29.666 -20.257 1.00 44.34 H new ATOM 0 HG SER A 23 0.330 -28.005 -19.231 1.00 35.22 H new ATOM 354 N THR A 24 -3.215 -28.820 -17.232 1.00 73.24 N ATOM 355 CA THR A 24 -3.730 -28.292 -15.975 1.00 50.14 C ATOM 356 C THR A 24 -3.138 -26.921 -15.672 1.00 4.43 C ATOM 357 O THR A 24 -3.389 -26.346 -14.612 1.00 53.44 O ATOM 358 CB THR A 24 -3.427 -29.241 -14.801 1.00 24.21 C ATOM 359 OG1 THR A 24 -2.012 -29.420 -14.669 1.00 31.43 O ATOM 360 CG2 THR A 24 -4.097 -30.591 -15.009 1.00 3.10 C ATOM 0 H THR A 24 -2.703 -29.698 -17.142 1.00 73.24 H new ATOM 0 HA THR A 24 -4.810 -28.201 -16.089 1.00 50.14 H new ATOM 0 HB THR A 24 -3.823 -28.794 -13.889 1.00 24.21 H new ATOM 0 HG1 THR A 24 -1.827 -30.023 -13.919 1.00 31.43 H new ATOM 0 HG21 THR A 24 -3.868 -31.244 -14.167 1.00 3.10 H new ATOM 0 HG22 THR A 24 -5.176 -30.455 -15.080 1.00 3.10 H new ATOM 0 HG23 THR A 24 -3.727 -31.043 -15.929 1.00 3.10 H new ATOM 368 N TYR A 25 -2.350 -26.401 -16.607 1.00 73.20 N ATOM 369 CA TYR A 25 -1.720 -25.097 -16.438 1.00 75.12 C ATOM 370 C TYR A 25 -2.605 -24.168 -15.613 1.00 51.50 C ATOM 371 O TYR A 25 -2.127 -23.464 -14.722 1.00 60.25 O ATOM 372 CB TYR A 25 -1.431 -24.467 -17.801 1.00 51.25 C ATOM 373 CG TYR A 25 -1.484 -22.956 -17.793 1.00 50.35 C ATOM 374 CD1 TYR A 25 -2.691 -22.283 -17.942 1.00 45.35 C ATOM 375 CD2 TYR A 25 -0.328 -22.201 -17.638 1.00 21.10 C ATOM 376 CE1 TYR A 25 -2.744 -20.902 -17.936 1.00 62.25 C ATOM 377 CE2 TYR A 25 -0.372 -20.820 -17.629 1.00 60.42 C ATOM 378 CZ TYR A 25 -1.582 -20.176 -17.779 1.00 50.41 C ATOM 379 OH TYR A 25 -1.630 -18.800 -17.772 1.00 61.44 O ATOM 0 H TYR A 25 -2.132 -26.863 -17.490 1.00 73.20 H new ATOM 0 HA TYR A 25 -0.780 -25.242 -15.905 1.00 75.12 H new ATOM 0 HB2 TYR A 25 -0.444 -24.786 -18.137 1.00 51.25 H new ATOM 0 HB3 TYR A 25 -2.152 -24.844 -18.526 1.00 51.25 H new ATOM 0 HD1 TYR A 25 -3.603 -22.849 -18.065 1.00 45.35 H new ATOM 0 HD2 TYR A 25 0.622 -22.702 -17.523 1.00 21.10 H new ATOM 0 HE1 TYR A 25 -3.690 -20.394 -18.054 1.00 62.25 H new ATOM 0 HE2 TYR A 25 0.536 -20.248 -17.505 1.00 60.42 H new ATOM 0 HH TYR A 25 -0.820 -18.442 -18.191 1.00 61.44 H new ATOM 389 N CYS A 26 -3.899 -24.170 -15.915 1.00 71.44 N ATOM 390 CA CYS A 26 -4.853 -23.329 -15.204 1.00 11.35 C ATOM 391 C CYS A 26 -5.007 -23.785 -13.756 1.00 23.44 C ATOM 392 O CYS A 26 -4.853 -22.995 -12.825 1.00 74.24 O ATOM 393 CB CYS A 26 -6.212 -23.356 -15.905 1.00 73.24 C ATOM 394 SG CYS A 26 -6.316 -22.276 -17.368 1.00 43.43 S ATOM 0 H CYS A 26 -4.311 -24.746 -16.649 1.00 71.44 H new ATOM 0 HA CYS A 26 -4.471 -22.308 -15.207 1.00 11.35 H new ATOM 0 HB2 CYS A 26 -6.433 -24.380 -16.206 1.00 73.24 H new ATOM 0 HB3 CYS A 26 -6.982 -23.060 -15.193 1.00 73.24 H new ATOM 399 N ASN A 27 -5.310 -25.067 -13.574 1.00 54.51 N ATOM 400 CA ASN A 27 -5.485 -25.629 -12.240 1.00 13.11 C ATOM 401 C ASN A 27 -4.574 -24.934 -11.233 1.00 11.22 C ATOM 402 O ASN A 27 -5.041 -24.388 -10.233 1.00 65.13 O ATOM 403 CB ASN A 27 -5.195 -27.131 -12.255 1.00 32.10 C ATOM 404 CG ASN A 27 -5.244 -27.743 -10.868 1.00 60.44 C ATOM 405 OD1 ASN A 27 -5.475 -27.049 -9.879 1.00 11.43 O ATOM 406 ND2 ASN A 27 -5.026 -29.051 -10.791 1.00 44.02 N ATOM 0 H ASN A 27 -5.439 -25.735 -14.334 1.00 54.51 H new ATOM 0 HA ASN A 27 -6.520 -25.468 -11.938 1.00 13.11 H new ATOM 0 HB2 ASN A 27 -5.920 -27.632 -12.896 1.00 32.10 H new ATOM 0 HB3 ASN A 27 -4.211 -27.304 -12.691 1.00 32.10 H new ATOM 0 HD21 ASN A 27 -5.046 -29.519 -9.885 1.00 44.02 H new ATOM 0 HD22 ASN A 27 -4.838 -29.587 -11.638 1.00 44.02 H new ATOM 413 N GLN A 28 -3.273 -24.958 -11.505 1.00 33.13 N ATOM 414 CA GLN A 28 -2.297 -24.330 -10.622 1.00 71.32 C ATOM 415 C GLN A 28 -2.301 -22.815 -10.797 1.00 25.21 C ATOM 416 O GLN A 28 -2.521 -22.071 -9.842 1.00 22.34 O ATOM 417 CB GLN A 28 -0.898 -24.884 -10.898 1.00 72.23 C ATOM 418 CG GLN A 28 -0.577 -26.145 -10.113 1.00 32.34 C ATOM 419 CD GLN A 28 0.351 -27.080 -10.863 1.00 73.20 C ATOM 420 OE1 GLN A 28 1.475 -27.335 -10.432 1.00 24.43 O ATOM 421 NE2 GLN A 28 -0.117 -27.597 -11.993 1.00 63.14 N ATOM 0 H GLN A 28 -2.871 -25.405 -12.329 1.00 33.13 H new ATOM 0 HA GLN A 28 -2.574 -24.559 -9.593 1.00 71.32 H new ATOM 0 HB2 GLN A 28 -0.804 -25.095 -11.963 1.00 72.23 H new ATOM 0 HB3 GLN A 28 -0.160 -24.119 -10.658 1.00 72.23 H new ATOM 0 HG2 GLN A 28 -0.119 -25.870 -9.163 1.00 32.34 H new ATOM 0 HG3 GLN A 28 -1.504 -26.669 -9.880 1.00 32.34 H new ATOM 0 HE21 GLN A 28 -1.056 -27.358 -12.313 1.00 63.14 H new ATOM 0 HE22 GLN A 28 0.462 -28.233 -12.541 1.00 63.14 H new ATOM 430 N MET A 29 -2.055 -22.365 -12.023 1.00 24.30 N ATOM 431 CA MET A 29 -2.030 -20.938 -12.322 1.00 74.24 C ATOM 432 C MET A 29 -3.010 -20.179 -11.433 1.00 74.52 C ATOM 433 O MET A 29 -2.606 -19.373 -10.596 1.00 35.43 O ATOM 434 CB MET A 29 -2.369 -20.698 -13.795 1.00 21.51 C ATOM 435 CG MET A 29 -1.168 -20.807 -14.720 1.00 63.21 C ATOM 436 SD MET A 29 -0.487 -19.198 -15.166 1.00 63.42 S ATOM 437 CE MET A 29 0.406 -18.782 -13.670 1.00 52.01 C ATOM 0 H MET A 29 -1.870 -22.968 -12.825 1.00 24.30 H new ATOM 0 HA MET A 29 -1.024 -20.568 -12.123 1.00 74.24 H new ATOM 0 HB2 MET A 29 -3.125 -21.419 -14.108 1.00 21.51 H new ATOM 0 HB3 MET A 29 -2.810 -19.707 -13.901 1.00 21.51 H new ATOM 0 HG2 MET A 29 -0.394 -21.403 -14.236 1.00 63.21 H new ATOM 0 HG3 MET A 29 -1.459 -21.338 -15.626 1.00 63.21 H new ATOM 0 HE1 MET A 29 1.091 -17.959 -13.872 1.00 52.01 H new ATOM 0 HE2 MET A 29 -0.301 -18.484 -12.895 1.00 52.01 H new ATOM 0 HE3 MET A 29 0.972 -19.650 -13.331 1.00 52.01 H new ATOM 447 N MET A 30 -4.299 -20.443 -11.622 1.00 13.15 N ATOM 448 CA MET A 30 -5.336 -19.785 -10.835 1.00 53.32 C ATOM 449 C MET A 30 -5.002 -19.832 -9.347 1.00 54.35 C ATOM 450 O MET A 30 -5.218 -18.860 -8.623 1.00 22.24 O ATOM 451 CB MET A 30 -6.693 -20.445 -11.086 1.00 72.24 C ATOM 452 CG MET A 30 -7.636 -19.596 -11.923 1.00 75.43 C ATOM 453 SD MET A 30 -8.275 -18.172 -11.021 1.00 33.35 S ATOM 454 CE MET A 30 -7.419 -16.835 -11.848 1.00 41.34 C ATOM 0 H MET A 30 -4.650 -21.107 -12.312 1.00 13.15 H new ATOM 0 HA MET A 30 -5.385 -18.741 -11.145 1.00 53.32 H new ATOM 0 HB2 MET A 30 -6.536 -21.400 -11.587 1.00 72.24 H new ATOM 0 HB3 MET A 30 -7.166 -20.661 -10.128 1.00 72.24 H new ATOM 0 HG2 MET A 30 -7.113 -19.251 -12.815 1.00 75.43 H new ATOM 0 HG3 MET A 30 -8.470 -20.211 -12.260 1.00 75.43 H new ATOM 0 HE1 MET A 30 -7.850 -15.882 -11.541 1.00 41.34 H new ATOM 0 HE2 MET A 30 -6.363 -16.859 -11.581 1.00 41.34 H new ATOM 0 HE3 MET A 30 -7.523 -16.949 -12.927 1.00 41.34 H new ATOM 464 N ARG A 31 -4.476 -20.967 -8.899 1.00 51.32 N ATOM 465 CA ARG A 31 -4.114 -21.140 -7.498 1.00 13.04 C ATOM 466 C ARG A 31 -2.893 -20.297 -7.143 1.00 40.21 C ATOM 467 O ARG A 31 -2.976 -19.378 -6.328 1.00 30.24 O ATOM 468 CB ARG A 31 -3.834 -22.614 -7.200 1.00 3.03 C ATOM 469 CG ARG A 31 -3.161 -22.847 -5.857 1.00 4.52 C ATOM 470 CD ARG A 31 -1.890 -23.668 -6.006 1.00 21.55 C ATOM 471 NE ARG A 31 -1.146 -23.758 -4.752 1.00 1.40 N ATOM 472 CZ ARG A 31 -0.226 -24.684 -4.508 1.00 21.13 C ATOM 473 NH1 ARG A 31 0.062 -25.596 -5.426 1.00 41.45 N ATOM 474 NH2 ARG A 31 0.409 -24.700 -3.342 1.00 54.34 N ATOM 0 H ARG A 31 -4.291 -21.780 -9.486 1.00 51.32 H new ATOM 0 HA ARG A 31 -4.954 -20.806 -6.888 1.00 13.04 H new ATOM 0 HB2 ARG A 31 -4.773 -23.166 -7.227 1.00 3.03 H new ATOM 0 HB3 ARG A 31 -3.202 -23.022 -7.989 1.00 3.03 H new ATOM 0 HG2 ARG A 31 -2.924 -21.888 -5.396 1.00 4.52 H new ATOM 0 HG3 ARG A 31 -3.851 -23.361 -5.187 1.00 4.52 H new ATOM 0 HD2 ARG A 31 -2.144 -24.671 -6.349 1.00 21.55 H new ATOM 0 HD3 ARG A 31 -1.257 -23.220 -6.772 1.00 21.55 H new ATOM 0 HE ARG A 31 -1.344 -23.072 -4.024 1.00 1.40 H new ATOM 0 HH11 ARG A 31 -0.424 -25.588 -6.323 1.00 41.45 H new ATOM 0 HH12 ARG A 31 0.769 -26.306 -5.235 1.00 41.45 H new ATOM 0 HH21 ARG A 31 0.190 -24.001 -2.633 1.00 54.34 H new ATOM 0 HH22 ARG A 31 1.115 -25.412 -3.156 1.00 54.34 H new ATOM 488 N ARG A 32 -1.760 -20.616 -7.761 1.00 35.01 N ATOM 489 CA ARG A 32 -0.522 -19.889 -7.509 1.00 62.43 C ATOM 490 C ARG A 32 -0.785 -18.391 -7.393 1.00 3.23 C ATOM 491 O ARG A 32 -0.013 -17.662 -6.770 1.00 3.24 O ATOM 492 CB ARG A 32 0.487 -20.156 -8.628 1.00 51.52 C ATOM 493 CG ARG A 32 1.695 -20.961 -8.180 1.00 61.40 C ATOM 494 CD ARG A 32 2.566 -20.171 -7.216 1.00 14.21 C ATOM 495 NE ARG A 32 3.428 -21.039 -6.419 1.00 61.22 N ATOM 496 CZ ARG A 32 4.250 -20.593 -5.475 1.00 75.32 C ATOM 497 NH1 ARG A 32 4.319 -19.296 -5.211 1.00 42.12 N ATOM 498 NH2 ARG A 32 5.003 -21.446 -4.793 1.00 20.12 N ATOM 0 H ARG A 32 -1.674 -21.373 -8.439 1.00 35.01 H new ATOM 0 HA ARG A 32 -0.109 -20.241 -6.564 1.00 62.43 H new ATOM 0 HB2 ARG A 32 -0.013 -20.688 -9.437 1.00 51.52 H new ATOM 0 HB3 ARG A 32 0.826 -19.203 -9.034 1.00 51.52 H new ATOM 0 HG2 ARG A 32 1.362 -21.881 -7.700 1.00 61.40 H new ATOM 0 HG3 ARG A 32 2.284 -21.250 -9.050 1.00 61.40 H new ATOM 0 HD2 ARG A 32 3.180 -19.467 -7.777 1.00 14.21 H new ATOM 0 HD3 ARG A 32 1.931 -19.583 -6.553 1.00 14.21 H new ATOM 0 HE ARG A 32 3.398 -22.043 -6.597 1.00 61.22 H new ATOM 0 HH11 ARG A 32 3.740 -18.638 -5.733 1.00 42.12 H new ATOM 0 HH12 ARG A 32 4.951 -18.956 -4.486 1.00 42.12 H new ATOM 0 HH21 ARG A 32 4.951 -22.445 -4.993 1.00 20.12 H new ATOM 0 HH22 ARG A 32 5.634 -21.103 -4.069 1.00 20.12 H new ATOM 512 N ARG A 33 -1.879 -17.938 -7.997 1.00 23.53 N ATOM 513 CA ARG A 33 -2.242 -16.527 -7.962 1.00 73.01 C ATOM 514 C ARG A 33 -2.931 -16.175 -6.647 1.00 34.21 C ATOM 515 O ARG A 33 -3.599 -15.148 -6.540 1.00 51.53 O ATOM 516 CB ARG A 33 -3.159 -16.186 -9.138 1.00 14.20 C ATOM 517 CG ARG A 33 -2.500 -16.363 -10.496 1.00 32.50 C ATOM 518 CD ARG A 33 -1.609 -15.181 -10.842 1.00 14.41 C ATOM 519 NE ARG A 33 -0.773 -15.448 -12.009 1.00 30.11 N ATOM 520 CZ ARG A 33 -0.110 -14.505 -12.669 1.00 61.44 C ATOM 521 NH1 ARG A 33 -0.185 -13.240 -12.279 1.00 61.53 N ATOM 522 NH2 ARG A 33 0.631 -14.828 -13.722 1.00 53.52 N ATOM 0 H ARG A 33 -2.529 -18.528 -8.516 1.00 23.53 H new ATOM 0 HA ARG A 33 -1.327 -15.940 -8.041 1.00 73.01 H new ATOM 0 HB2 ARG A 33 -4.047 -16.816 -9.090 1.00 14.20 H new ATOM 0 HB3 ARG A 33 -3.495 -15.154 -9.038 1.00 14.20 H new ATOM 0 HG2 ARG A 33 -1.908 -17.279 -10.498 1.00 32.50 H new ATOM 0 HG3 ARG A 33 -3.267 -16.478 -11.262 1.00 32.50 H new ATOM 0 HD2 ARG A 33 -2.228 -14.304 -11.033 1.00 14.41 H new ATOM 0 HD3 ARG A 33 -0.974 -14.944 -9.988 1.00 14.41 H new ATOM 0 HE ARG A 33 -0.694 -16.411 -12.335 1.00 30.11 H new ATOM 0 HH11 ARG A 33 -0.753 -12.989 -11.470 1.00 61.53 H new ATOM 0 HH12 ARG A 33 0.325 -12.518 -12.788 1.00 61.53 H new ATOM 0 HH21 ARG A 33 0.691 -15.800 -14.024 1.00 53.52 H new ATOM 0 HH22 ARG A 33 1.140 -14.104 -14.229 1.00 53.52 H new ATOM 536 N ASN A 34 -2.764 -17.036 -5.648 1.00 73.34 N ATOM 537 CA ASN A 34 -3.371 -16.817 -4.340 1.00 60.04 C ATOM 538 C ASN A 34 -4.867 -16.548 -4.473 1.00 1.11 C ATOM 539 O ASN A 34 -5.419 -15.697 -3.775 1.00 62.44 O ATOM 540 CB ASN A 34 -2.691 -15.645 -3.630 1.00 54.40 C ATOM 541 CG ASN A 34 -1.901 -16.086 -2.413 1.00 15.51 C ATOM 542 OD1 ASN A 34 -2.454 -16.663 -1.476 1.00 42.23 O ATOM 543 ND2 ASN A 34 -0.602 -15.814 -2.421 1.00 64.24 N ATOM 0 H ASN A 34 -2.213 -17.892 -5.719 1.00 73.34 H new ATOM 0 HA ASN A 34 -3.234 -17.721 -3.747 1.00 60.04 H new ATOM 0 HB2 ASN A 34 -2.025 -15.138 -4.328 1.00 54.40 H new ATOM 0 HB3 ASN A 34 -3.446 -14.920 -3.326 1.00 54.40 H new ATOM 0 HD21 ASN A 34 -0.019 -16.085 -1.629 1.00 64.24 H new ATOM 0 HD22 ASN A 34 -0.186 -15.334 -3.219 1.00 64.24 H new ATOM 550 N MET A 35 -5.517 -17.279 -5.372 1.00 63.33 N ATOM 551 CA MET A 35 -6.949 -17.121 -5.595 1.00 12.22 C ATOM 552 C MET A 35 -7.713 -18.351 -5.115 1.00 13.32 C ATOM 553 O MET A 35 -8.925 -18.298 -4.903 1.00 74.42 O ATOM 554 CB MET A 35 -7.233 -16.877 -7.078 1.00 43.32 C ATOM 555 CG MET A 35 -6.532 -15.649 -7.637 1.00 2.02 C ATOM 556 SD MET A 35 -7.662 -14.272 -7.919 1.00 63.53 S ATOM 557 CE MET A 35 -8.100 -13.843 -6.236 1.00 62.35 C ATOM 0 H MET A 35 -5.075 -17.987 -5.958 1.00 63.33 H new ATOM 0 HA MET A 35 -7.287 -16.258 -5.021 1.00 12.22 H new ATOM 0 HB2 MET A 35 -6.923 -17.753 -7.648 1.00 43.32 H new ATOM 0 HB3 MET A 35 -8.308 -16.768 -7.221 1.00 43.32 H new ATOM 0 HG2 MET A 35 -5.749 -15.336 -6.946 1.00 2.02 H new ATOM 0 HG3 MET A 35 -6.043 -15.910 -8.575 1.00 2.02 H new ATOM 0 HE1 MET A 35 -8.634 -12.893 -6.230 1.00 62.35 H new ATOM 0 HE2 MET A 35 -8.738 -14.621 -5.817 1.00 62.35 H new ATOM 0 HE3 MET A 35 -7.194 -13.754 -5.636 1.00 62.35 H new ATOM 567 N THR A 36 -6.997 -19.458 -4.945 1.00 13.12 N ATOM 568 CA THR A 36 -7.608 -20.701 -4.492 1.00 31.15 C ATOM 569 C THR A 36 -7.346 -20.934 -3.008 1.00 1.50 C ATOM 570 O THR A 36 -7.553 -22.034 -2.497 1.00 64.05 O ATOM 571 CB THR A 36 -7.082 -21.909 -5.290 1.00 32.14 C ATOM 572 OG1 THR A 36 -5.683 -22.089 -5.042 1.00 14.35 O ATOM 573 CG2 THR A 36 -7.317 -21.717 -6.780 1.00 55.22 C ATOM 0 H THR A 36 -5.993 -19.519 -5.114 1.00 13.12 H new ATOM 0 HA THR A 36 -8.681 -20.604 -4.658 1.00 31.15 H new ATOM 0 HB THR A 36 -7.625 -22.796 -4.964 1.00 32.14 H new ATOM 0 HG1 THR A 36 -5.560 -22.563 -4.193 1.00 14.35 H new ATOM 0 HG21 THR A 36 -6.937 -22.583 -7.323 1.00 55.22 H new ATOM 0 HG22 THR A 36 -8.385 -21.610 -6.969 1.00 55.22 H new ATOM 0 HG23 THR A 36 -6.797 -20.820 -7.118 1.00 55.22 H new ATOM 581 N GLN A 37 -6.891 -19.890 -2.322 1.00 24.33 N ATOM 582 CA GLN A 37 -6.600 -19.982 -0.896 1.00 34.43 C ATOM 583 C GLN A 37 -7.888 -20.023 -0.080 1.00 12.24 C ATOM 584 O GLN A 37 -8.711 -19.111 -0.154 1.00 21.11 O ATOM 585 CB GLN A 37 -5.738 -18.800 -0.452 1.00 12.52 C ATOM 586 CG GLN A 37 -4.255 -19.122 -0.377 1.00 24.43 C ATOM 587 CD GLN A 37 -3.727 -19.115 1.044 1.00 3.43 C ATOM 588 OE1 GLN A 37 -4.451 -18.792 1.986 1.00 12.52 O ATOM 589 NE2 GLN A 37 -2.458 -19.471 1.207 1.00 71.41 N ATOM 0 H GLN A 37 -6.716 -18.972 -2.730 1.00 24.33 H new ATOM 0 HA GLN A 37 -6.051 -20.907 -0.722 1.00 34.43 H new ATOM 0 HB2 GLN A 37 -5.887 -17.972 -1.145 1.00 12.52 H new ATOM 0 HB3 GLN A 37 -6.077 -18.461 0.527 1.00 12.52 H new ATOM 0 HG2 GLN A 37 -4.077 -20.101 -0.822 1.00 24.43 H new ATOM 0 HG3 GLN A 37 -3.699 -18.396 -0.971 1.00 24.43 H new ATOM 0 HE21 GLN A 37 -1.893 -19.731 0.398 1.00 71.41 H new ATOM 0 HE22 GLN A 37 -2.048 -19.484 2.141 1.00 71.41 H new ATOM 598 N GLY A 38 -8.057 -21.087 0.699 1.00 25.24 N ATOM 599 CA GLY A 38 -9.247 -21.227 1.518 1.00 42.32 C ATOM 600 C GLY A 38 -10.430 -21.758 0.734 1.00 74.20 C ATOM 601 O GLY A 38 -11.173 -22.611 1.221 1.00 52.24 O ATOM 0 H GLY A 38 -7.390 -21.855 0.778 1.00 25.24 H new ATOM 0 HA2 GLY A 38 -9.035 -21.899 2.350 1.00 42.32 H new ATOM 0 HA3 GLY A 38 -9.505 -20.259 1.948 1.00 42.32 H new ATOM 605 N ARG A 39 -10.608 -21.253 -0.482 1.00 43.33 N ATOM 606 CA ARG A 39 -11.711 -21.680 -1.334 1.00 13.12 C ATOM 607 C ARG A 39 -11.250 -21.846 -2.779 1.00 32.42 C ATOM 608 O ARG A 39 -10.155 -21.420 -3.145 1.00 41.44 O ATOM 609 CB ARG A 39 -12.857 -20.668 -1.266 1.00 61.31 C ATOM 610 CG ARG A 39 -12.391 -19.222 -1.222 1.00 63.31 C ATOM 611 CD ARG A 39 -13.178 -18.414 -0.202 1.00 64.14 C ATOM 612 NE ARG A 39 -12.479 -17.191 0.184 1.00 61.13 N ATOM 613 CZ ARG A 39 -13.003 -16.265 0.978 1.00 13.24 C ATOM 614 NH1 ARG A 39 -14.225 -16.422 1.469 1.00 50.21 N ATOM 615 NH2 ARG A 39 -12.305 -15.179 1.284 1.00 0.23 N ATOM 0 H ARG A 39 -10.002 -20.547 -0.900 1.00 43.33 H new ATOM 0 HA ARG A 39 -12.065 -22.645 -0.971 1.00 13.12 H new ATOM 0 HB2 ARG A 39 -13.504 -20.806 -2.132 1.00 61.31 H new ATOM 0 HB3 ARG A 39 -13.460 -20.874 -0.382 1.00 61.31 H new ATOM 0 HG2 ARG A 39 -11.330 -19.188 -0.975 1.00 63.31 H new ATOM 0 HG3 ARG A 39 -12.503 -18.772 -2.209 1.00 63.31 H new ATOM 0 HD2 ARG A 39 -14.153 -18.159 -0.616 1.00 64.14 H new ATOM 0 HD3 ARG A 39 -13.357 -19.024 0.683 1.00 64.14 H new ATOM 0 HE ARG A 39 -11.537 -17.040 -0.176 1.00 61.13 H new ATOM 0 HH11 ARG A 39 -14.765 -17.256 1.237 1.00 50.21 H new ATOM 0 HH12 ARG A 39 -14.625 -15.709 2.079 1.00 50.21 H new ATOM 0 HH21 ARG A 39 -11.365 -15.055 0.909 1.00 0.23 H new ATOM 0 HH22 ARG A 39 -12.709 -14.468 1.894 1.00 0.23 H new ATOM 629 N CYS A 40 -12.093 -22.470 -3.595 1.00 61.21 N ATOM 630 CA CYS A 40 -11.773 -22.695 -5.000 1.00 2.44 C ATOM 631 C CYS A 40 -12.379 -21.603 -5.877 1.00 32.11 C ATOM 632 O CYS A 40 -13.059 -20.702 -5.386 1.00 11.15 O ATOM 633 CB CYS A 40 -12.282 -24.066 -5.448 1.00 13.04 C ATOM 634 SG CYS A 40 -11.323 -24.808 -6.807 1.00 51.31 S ATOM 0 H CYS A 40 -13.003 -22.829 -3.307 1.00 61.21 H new ATOM 0 HA CYS A 40 -10.689 -22.665 -5.109 1.00 2.44 H new ATOM 0 HB2 CYS A 40 -12.267 -24.744 -4.595 1.00 13.04 H new ATOM 0 HB3 CYS A 40 -13.322 -23.971 -5.761 1.00 13.04 H new ATOM 639 N LYS A 41 -12.128 -21.691 -7.179 1.00 13.23 N ATOM 640 CA LYS A 41 -12.649 -20.713 -8.126 1.00 55.04 C ATOM 641 C LYS A 41 -13.534 -21.386 -9.171 1.00 53.31 C ATOM 642 O LYS A 41 -13.207 -22.444 -9.708 1.00 63.03 O ATOM 643 CB LYS A 41 -11.499 -19.976 -8.815 1.00 64.35 C ATOM 644 CG LYS A 41 -11.816 -18.529 -9.150 1.00 32.14 C ATOM 645 CD LYS A 41 -12.175 -17.735 -7.905 1.00 25.03 C ATOM 646 CE LYS A 41 -11.167 -16.627 -7.641 1.00 44.22 C ATOM 647 NZ LYS A 41 -11.228 -16.144 -6.234 1.00 31.33 N ATOM 0 H LYS A 41 -11.567 -22.430 -7.602 1.00 13.23 H new ATOM 0 HA LYS A 41 -13.253 -19.994 -7.572 1.00 55.04 H new ATOM 0 HB2 LYS A 41 -10.621 -20.007 -8.170 1.00 64.35 H new ATOM 0 HB3 LYS A 41 -11.239 -20.504 -9.733 1.00 64.35 H new ATOM 0 HG2 LYS A 41 -10.957 -18.071 -9.640 1.00 32.14 H new ATOM 0 HG3 LYS A 41 -12.644 -18.491 -9.858 1.00 32.14 H new ATOM 0 HD2 LYS A 41 -13.169 -17.304 -8.021 1.00 25.03 H new ATOM 0 HD3 LYS A 41 -12.216 -18.403 -7.045 1.00 25.03 H new ATOM 0 HE2 LYS A 41 -10.163 -16.991 -7.856 1.00 44.22 H new ATOM 0 HE3 LYS A 41 -11.357 -15.795 -8.319 1.00 44.22 H new ATOM 0 HZ1 LYS A 41 -10.956 -15.141 -6.199 1.00 31.33 H new ATOM 0 HZ2 LYS A 41 -12.197 -16.253 -5.871 1.00 31.33 H new ATOM 0 HZ3 LYS A 41 -10.574 -16.701 -5.647 1.00 31.33 H new ATOM 661 N PRO A 42 -14.682 -20.759 -9.468 1.00 51.52 N ATOM 662 CA PRO A 42 -15.636 -21.278 -10.452 1.00 72.13 C ATOM 663 C PRO A 42 -15.104 -21.189 -11.879 1.00 33.14 C ATOM 664 O PRO A 42 -15.120 -22.172 -12.620 1.00 50.42 O ATOM 665 CB PRO A 42 -16.855 -20.369 -10.279 1.00 14.04 C ATOM 666 CG PRO A 42 -16.305 -19.099 -9.726 1.00 75.34 C ATOM 667 CD PRO A 42 -15.136 -19.494 -8.867 1.00 14.42 C ATOM 0 HA PRO A 42 -15.849 -22.335 -10.293 1.00 72.13 H new ATOM 0 HB2 PRO A 42 -17.361 -20.200 -11.229 1.00 14.04 H new ATOM 0 HB3 PRO A 42 -17.586 -20.812 -9.602 1.00 14.04 H new ATOM 0 HG2 PRO A 42 -15.992 -18.428 -10.526 1.00 75.34 H new ATOM 0 HG3 PRO A 42 -17.057 -18.569 -9.142 1.00 75.34 H new ATOM 0 HD2 PRO A 42 -14.352 -18.737 -8.883 1.00 14.42 H new ATOM 0 HD3 PRO A 42 -15.429 -19.627 -7.826 1.00 14.42 H new ATOM 675 N VAL A 43 -14.633 -20.005 -12.257 1.00 31.12 N ATOM 676 CA VAL A 43 -14.095 -19.788 -13.594 1.00 65.33 C ATOM 677 C VAL A 43 -13.153 -18.590 -13.620 1.00 4.21 C ATOM 678 O VAL A 43 -13.150 -17.770 -12.703 1.00 21.14 O ATOM 679 CB VAL A 43 -15.219 -19.566 -14.623 1.00 12.42 C ATOM 680 CG1 VAL A 43 -14.668 -19.632 -16.039 1.00 54.52 C ATOM 681 CG2 VAL A 43 -16.330 -20.586 -14.426 1.00 53.30 C ATOM 0 H VAL A 43 -14.613 -19.181 -11.656 1.00 31.12 H new ATOM 0 HA VAL A 43 -13.541 -20.688 -13.861 1.00 65.33 H new ATOM 0 HB VAL A 43 -15.638 -18.572 -14.469 1.00 12.42 H new ATOM 0 HG11 VAL A 43 -15.477 -19.473 -16.752 1.00 54.52 H new ATOM 0 HG12 VAL A 43 -13.911 -18.859 -16.171 1.00 54.52 H new ATOM 0 HG13 VAL A 43 -14.221 -20.611 -16.210 1.00 54.52 H new ATOM 0 HG21 VAL A 43 -17.116 -20.414 -15.161 1.00 53.30 H new ATOM 0 HG22 VAL A 43 -15.928 -21.591 -14.552 1.00 53.30 H new ATOM 0 HG23 VAL A 43 -16.744 -20.484 -13.423 1.00 53.30 H new ATOM 691 N ASN A 44 -12.354 -18.494 -14.678 1.00 22.42 N ATOM 692 CA ASN A 44 -11.406 -17.395 -14.823 1.00 72.45 C ATOM 693 C ASN A 44 -10.831 -17.357 -16.236 1.00 52.41 C ATOM 694 O ASN A 44 -10.738 -18.383 -16.910 1.00 32.44 O ATOM 695 CB ASN A 44 -10.274 -17.532 -13.803 1.00 71.25 C ATOM 696 CG ASN A 44 -10.059 -16.261 -13.005 1.00 21.24 C ATOM 697 OD1 ASN A 44 -9.374 -15.342 -13.453 1.00 11.42 O ATOM 698 ND2 ASN A 44 -10.645 -16.205 -11.814 1.00 45.31 N ATOM 0 H ASN A 44 -12.344 -19.164 -15.447 1.00 22.42 H new ATOM 0 HA ASN A 44 -11.939 -16.462 -14.641 1.00 72.45 H new ATOM 0 HB2 ASN A 44 -10.500 -18.352 -13.121 1.00 71.25 H new ATOM 0 HB3 ASN A 44 -9.351 -17.793 -14.321 1.00 71.25 H new ATOM 0 HD21 ASN A 44 -10.536 -15.376 -11.230 1.00 45.31 H new ATOM 0 HD22 ASN A 44 -11.204 -16.991 -11.483 1.00 45.31 H new ATOM 705 N THR A 45 -10.445 -16.164 -16.680 1.00 35.13 N ATOM 706 CA THR A 45 -9.880 -15.990 -18.012 1.00 21.35 C ATOM 707 C THR A 45 -8.583 -15.192 -17.958 1.00 43.41 C ATOM 708 O THR A 45 -8.562 -14.052 -17.492 1.00 31.21 O ATOM 709 CB THR A 45 -10.869 -15.279 -18.954 1.00 13.45 C ATOM 710 OG1 THR A 45 -12.211 -15.668 -18.639 1.00 50.43 O ATOM 711 CG2 THR A 45 -10.567 -15.611 -20.407 1.00 2.41 C ATOM 0 H THR A 45 -10.514 -15.304 -16.136 1.00 35.13 H new ATOM 0 HA THR A 45 -9.674 -16.987 -18.401 1.00 21.35 H new ATOM 0 HB THR A 45 -10.760 -14.203 -18.814 1.00 13.45 H new ATOM 0 HG1 THR A 45 -12.834 -15.210 -19.241 1.00 50.43 H new ATOM 0 HG21 THR A 45 -11.279 -15.097 -21.053 1.00 2.41 H new ATOM 0 HG22 THR A 45 -9.555 -15.287 -20.652 1.00 2.41 H new ATOM 0 HG23 THR A 45 -10.650 -16.687 -20.559 1.00 2.41 H new ATOM 719 N PHE A 46 -7.501 -15.796 -18.439 1.00 10.31 N ATOM 720 CA PHE A 46 -6.199 -15.140 -18.446 1.00 25.04 C ATOM 721 C PHE A 46 -5.969 -14.400 -19.760 1.00 40.20 C ATOM 722 O PHE A 46 -6.830 -14.391 -20.640 1.00 33.54 O ATOM 723 CB PHE A 46 -5.086 -16.167 -18.224 1.00 41.24 C ATOM 724 CG PHE A 46 -4.830 -16.471 -16.776 1.00 2.41 C ATOM 725 CD1 PHE A 46 -4.627 -15.447 -15.865 1.00 2.40 C ATOM 726 CD2 PHE A 46 -4.792 -17.780 -16.325 1.00 65.44 C ATOM 727 CE1 PHE A 46 -4.391 -15.723 -14.531 1.00 53.42 C ATOM 728 CE2 PHE A 46 -4.557 -18.062 -14.993 1.00 21.51 C ATOM 729 CZ PHE A 46 -4.355 -17.032 -14.095 1.00 33.50 C ATOM 0 H PHE A 46 -7.500 -16.739 -18.829 1.00 10.31 H new ATOM 0 HA PHE A 46 -6.182 -14.414 -17.633 1.00 25.04 H new ATOM 0 HB2 PHE A 46 -5.347 -17.091 -18.740 1.00 41.24 H new ATOM 0 HB3 PHE A 46 -4.166 -15.798 -18.677 1.00 41.24 H new ATOM 0 HD1 PHE A 46 -4.653 -14.421 -16.201 1.00 2.40 H new ATOM 0 HD2 PHE A 46 -4.948 -18.590 -17.023 1.00 65.44 H new ATOM 0 HE1 PHE A 46 -4.235 -14.915 -13.831 1.00 53.42 H new ATOM 0 HE2 PHE A 46 -4.531 -19.087 -14.654 1.00 21.51 H new ATOM 0 HZ PHE A 46 -4.169 -17.251 -13.054 1.00 33.50 H new ATOM 739 N VAL A 47 -4.801 -13.778 -19.886 1.00 62.20 N ATOM 740 CA VAL A 47 -4.456 -13.035 -21.092 1.00 73.23 C ATOM 741 C VAL A 47 -2.967 -13.144 -21.398 1.00 3.40 C ATOM 742 O VAL A 47 -2.125 -12.821 -20.559 1.00 44.34 O ATOM 743 CB VAL A 47 -4.836 -11.548 -20.963 1.00 23.00 C ATOM 744 CG1 VAL A 47 -4.323 -10.760 -22.159 1.00 2.04 C ATOM 745 CG2 VAL A 47 -6.342 -11.394 -20.819 1.00 12.52 C ATOM 0 H VAL A 47 -4.077 -13.774 -19.167 1.00 62.20 H new ATOM 0 HA VAL A 47 -5.025 -13.478 -21.910 1.00 73.23 H new ATOM 0 HB VAL A 47 -4.365 -11.147 -20.065 1.00 23.00 H new ATOM 0 HG11 VAL A 47 -4.601 -9.712 -22.050 1.00 2.04 H new ATOM 0 HG12 VAL A 47 -3.238 -10.844 -22.212 1.00 2.04 H new ATOM 0 HG13 VAL A 47 -4.763 -11.159 -23.073 1.00 2.04 H new ATOM 0 HG21 VAL A 47 -6.593 -10.337 -20.729 1.00 12.52 H new ATOM 0 HG22 VAL A 47 -6.836 -11.811 -21.697 1.00 12.52 H new ATOM 0 HG23 VAL A 47 -6.678 -11.924 -19.928 1.00 12.52 H new ATOM 755 N HIS A 48 -2.648 -13.600 -22.605 1.00 45.10 N ATOM 756 CA HIS A 48 -1.258 -13.750 -23.023 1.00 31.12 C ATOM 757 C HIS A 48 -0.775 -12.505 -23.760 1.00 3.55 C ATOM 758 O HIS A 48 0.275 -12.520 -24.401 1.00 24.43 O ATOM 759 CB HIS A 48 -1.103 -14.979 -23.919 1.00 21.22 C ATOM 760 CG HIS A 48 -1.171 -16.276 -23.173 1.00 64.41 C ATOM 761 ND1 HIS A 48 -0.199 -16.685 -22.284 1.00 10.11 N ATOM 762 CD2 HIS A 48 -2.103 -17.258 -23.187 1.00 5.11 C ATOM 763 CE1 HIS A 48 -0.530 -17.862 -21.784 1.00 64.44 C ATOM 764 NE2 HIS A 48 -1.681 -18.232 -22.316 1.00 21.12 N ATOM 0 H HIS A 48 -3.332 -13.872 -23.311 1.00 45.10 H new ATOM 0 HA HIS A 48 -0.648 -13.881 -22.129 1.00 31.12 H new ATOM 0 HB2 HIS A 48 -1.884 -14.965 -24.679 1.00 21.22 H new ATOM 0 HB3 HIS A 48 -0.148 -14.919 -24.442 1.00 21.22 H new ATOM 0 HD1 HIS A 48 0.644 -16.161 -22.049 1.00 10.11 H new ATOM 0 HD2 HIS A 48 -3.009 -17.273 -23.774 1.00 5.11 H new ATOM 0 HE1 HIS A 48 0.043 -18.426 -21.063 1.00 64.44 H new ATOM 772 N GLU A 49 -1.549 -11.428 -23.663 1.00 62.03 N ATOM 773 CA GLU A 49 -1.199 -10.175 -24.322 1.00 71.23 C ATOM 774 C GLU A 49 -0.717 -9.142 -23.307 1.00 74.44 C ATOM 775 O GLU A 49 -1.065 -9.186 -22.127 1.00 24.10 O ATOM 776 CB GLU A 49 -2.401 -9.626 -25.094 1.00 31.13 C ATOM 777 CG GLU A 49 -2.171 -9.531 -26.593 1.00 24.34 C ATOM 778 CD GLU A 49 -2.262 -8.108 -27.108 1.00 60.20 C ATOM 779 OE1 GLU A 49 -2.886 -7.269 -26.425 1.00 25.25 O ATOM 780 OE2 GLU A 49 -1.711 -7.833 -28.194 1.00 63.42 O ATOM 0 H GLU A 49 -2.421 -11.398 -23.135 1.00 62.03 H new ATOM 0 HA GLU A 49 -0.388 -10.377 -25.022 1.00 71.23 H new ATOM 0 HB2 GLU A 49 -3.264 -10.265 -24.907 1.00 31.13 H new ATOM 0 HB3 GLU A 49 -2.648 -8.636 -24.709 1.00 31.13 H new ATOM 0 HG2 GLU A 49 -1.189 -9.938 -26.833 1.00 24.34 H new ATOM 0 HG3 GLU A 49 -2.906 -10.148 -27.109 1.00 24.34 H new ATOM 787 N PRO A 50 0.103 -8.190 -23.776 1.00 72.44 N ATOM 788 CA PRO A 50 0.650 -7.128 -22.927 1.00 63.41 C ATOM 789 C PRO A 50 -0.416 -6.131 -22.487 1.00 5.20 C ATOM 790 O PRO A 50 -1.289 -5.754 -23.270 1.00 3.33 O ATOM 791 CB PRO A 50 1.680 -6.447 -23.831 1.00 41.54 C ATOM 792 CG PRO A 50 1.208 -6.722 -25.217 1.00 44.15 C ATOM 793 CD PRO A 50 0.558 -8.077 -25.172 1.00 64.11 C ATOM 0 HA PRO A 50 1.070 -7.521 -22.001 1.00 63.41 H new ATOM 0 HB2 PRO A 50 1.732 -5.376 -23.636 1.00 41.54 H new ATOM 0 HB3 PRO A 50 2.679 -6.850 -23.666 1.00 41.54 H new ATOM 0 HG2 PRO A 50 0.501 -5.961 -25.547 1.00 44.15 H new ATOM 0 HG3 PRO A 50 2.039 -6.711 -25.922 1.00 44.15 H new ATOM 0 HD2 PRO A 50 -0.274 -8.147 -25.873 1.00 64.11 H new ATOM 0 HD3 PRO A 50 1.261 -8.869 -25.431 1.00 64.11 H new ATOM 801 N LEU A 51 -0.339 -5.706 -21.231 1.00 22.14 N ATOM 802 CA LEU A 51 -1.297 -4.751 -20.686 1.00 14.20 C ATOM 803 C LEU A 51 -1.343 -3.483 -21.533 1.00 14.25 C ATOM 804 O LEU A 51 -2.391 -3.117 -22.065 1.00 53.20 O ATOM 805 CB LEU A 51 -0.934 -4.401 -19.242 1.00 11.31 C ATOM 806 CG LEU A 51 -1.897 -3.460 -18.517 1.00 2.32 C ATOM 807 CD1 LEU A 51 -3.035 -4.245 -17.883 1.00 42.23 C ATOM 808 CD2 LEU A 51 -1.157 -2.647 -17.465 1.00 2.33 C ATOM 0 H LEU A 51 0.377 -6.008 -20.571 1.00 22.14 H new ATOM 0 HA LEU A 51 -2.284 -5.214 -20.703 1.00 14.20 H new ATOM 0 HB2 LEU A 51 -0.864 -5.327 -18.671 1.00 11.31 H new ATOM 0 HB3 LEU A 51 0.057 -3.948 -19.237 1.00 11.31 H new ATOM 0 HG LEU A 51 -2.321 -2.772 -19.248 1.00 2.32 H new ATOM 0 HD11 LEU A 51 -3.710 -3.559 -17.372 1.00 42.23 H new ATOM 0 HD12 LEU A 51 -3.582 -4.782 -18.658 1.00 42.23 H new ATOM 0 HD13 LEU A 51 -2.630 -4.958 -17.165 1.00 42.23 H new ATOM 0 HD21 LEU A 51 -1.858 -1.983 -16.959 1.00 2.33 H new ATOM 0 HD22 LEU A 51 -0.705 -3.320 -16.737 1.00 2.33 H new ATOM 0 HD23 LEU A 51 -0.378 -2.055 -17.945 1.00 2.33 H new ATOM 820 N VAL A 52 -0.199 -2.817 -21.654 1.00 54.23 N ATOM 821 CA VAL A 52 -0.108 -1.591 -22.439 1.00 21.41 C ATOM 822 C VAL A 52 -1.072 -1.622 -23.620 1.00 1.44 C ATOM 823 O VAL A 52 -1.686 -0.610 -23.959 1.00 10.12 O ATOM 824 CB VAL A 52 1.323 -1.366 -22.964 1.00 34.52 C ATOM 825 CG1 VAL A 52 1.640 -2.345 -24.084 1.00 43.34 C ATOM 826 CG2 VAL A 52 1.498 0.070 -23.433 1.00 73.12 C ATOM 0 H VAL A 52 0.677 -3.105 -21.219 1.00 54.23 H new ATOM 0 HA VAL A 52 -0.377 -0.769 -21.776 1.00 21.41 H new ATOM 0 HB VAL A 52 2.024 -1.545 -22.149 1.00 34.52 H new ATOM 0 HG11 VAL A 52 2.655 -2.171 -24.443 1.00 43.34 H new ATOM 0 HG12 VAL A 52 1.557 -3.365 -23.710 1.00 43.34 H new ATOM 0 HG13 VAL A 52 0.936 -2.201 -24.903 1.00 43.34 H new ATOM 0 HG21 VAL A 52 2.514 0.211 -23.801 1.00 73.12 H new ATOM 0 HG22 VAL A 52 0.790 0.280 -24.235 1.00 73.12 H new ATOM 0 HG23 VAL A 52 1.315 0.749 -22.600 1.00 73.12 H new ATOM 836 N ASP A 53 -1.200 -2.788 -24.242 1.00 31.33 N ATOM 837 CA ASP A 53 -2.091 -2.952 -25.384 1.00 52.45 C ATOM 838 C ASP A 53 -3.550 -2.804 -24.962 1.00 5.41 C ATOM 839 O ASP A 53 -4.286 -1.984 -25.511 1.00 61.24 O ATOM 840 CB ASP A 53 -1.873 -4.317 -26.038 1.00 24.23 C ATOM 841 CG ASP A 53 -2.325 -4.346 -27.484 1.00 73.13 C ATOM 842 OD1 ASP A 53 -2.928 -3.351 -27.938 1.00 14.33 O ATOM 843 OD2 ASP A 53 -2.076 -5.364 -28.163 1.00 41.23 O ATOM 0 H ASP A 53 -0.698 -3.634 -23.974 1.00 31.33 H new ATOM 0 HA ASP A 53 -1.860 -2.170 -26.108 1.00 52.45 H new ATOM 0 HB2 ASP A 53 -0.816 -4.577 -25.986 1.00 24.23 H new ATOM 0 HB3 ASP A 53 -2.416 -5.077 -25.476 1.00 24.23 H new ATOM 848 N VAL A 54 -3.961 -3.603 -23.983 1.00 3.03 N ATOM 849 CA VAL A 54 -5.331 -3.561 -23.486 1.00 61.21 C ATOM 850 C VAL A 54 -5.714 -2.152 -23.048 1.00 22.14 C ATOM 851 O VAL A 54 -6.854 -1.726 -23.224 1.00 55.45 O ATOM 852 CB VAL A 54 -5.529 -4.527 -22.303 1.00 3.14 C ATOM 853 CG1 VAL A 54 -6.892 -4.314 -21.662 1.00 23.23 C ATOM 854 CG2 VAL A 54 -5.364 -5.969 -22.759 1.00 10.32 C ATOM 0 H VAL A 54 -3.365 -4.288 -23.518 1.00 3.03 H new ATOM 0 HA VAL A 54 -5.976 -3.870 -24.309 1.00 61.21 H new ATOM 0 HB VAL A 54 -4.765 -4.318 -21.554 1.00 3.14 H new ATOM 0 HG11 VAL A 54 -7.014 -5.005 -20.828 1.00 23.23 H new ATOM 0 HG12 VAL A 54 -6.967 -3.289 -21.298 1.00 23.23 H new ATOM 0 HG13 VAL A 54 -7.673 -4.495 -22.400 1.00 23.23 H new ATOM 0 HG21 VAL A 54 -5.507 -6.638 -21.910 1.00 10.32 H new ATOM 0 HG22 VAL A 54 -6.103 -6.194 -23.527 1.00 10.32 H new ATOM 0 HG23 VAL A 54 -4.363 -6.109 -23.167 1.00 10.32 H new ATOM 864 N GLN A 55 -4.752 -1.435 -22.475 1.00 53.45 N ATOM 865 CA GLN A 55 -4.989 -0.073 -22.011 1.00 55.24 C ATOM 866 C GLN A 55 -5.376 0.838 -23.172 1.00 1.21 C ATOM 867 O GLN A 55 -6.339 1.598 -23.083 1.00 0.33 O ATOM 868 CB GLN A 55 -3.744 0.474 -21.311 1.00 33.10 C ATOM 869 CG GLN A 55 -3.347 -0.314 -20.073 1.00 73.11 C ATOM 870 CD GLN A 55 -2.211 0.335 -19.308 1.00 12.14 C ATOM 871 OE1 GLN A 55 -2.305 1.492 -18.897 1.00 53.21 O ATOM 872 NE2 GLN A 55 -1.129 -0.408 -19.111 1.00 24.31 N ATOM 0 H GLN A 55 -3.802 -1.774 -22.321 1.00 53.45 H new ATOM 0 HA GLN A 55 -5.815 -0.097 -21.301 1.00 55.24 H new ATOM 0 HB2 GLN A 55 -2.912 0.473 -22.015 1.00 33.10 H new ATOM 0 HB3 GLN A 55 -3.922 1.512 -21.029 1.00 33.10 H new ATOM 0 HG2 GLN A 55 -4.212 -0.413 -19.417 1.00 73.11 H new ATOM 0 HG3 GLN A 55 -3.053 -1.322 -20.367 1.00 73.11 H new ATOM 0 HE21 GLN A 55 -1.094 -1.362 -19.469 1.00 24.31 H new ATOM 0 HE22 GLN A 55 -0.333 -0.025 -18.602 1.00 24.31 H new ATOM 881 N ASN A 56 -4.617 0.756 -24.260 1.00 54.02 N ATOM 882 CA ASN A 56 -4.880 1.574 -25.439 1.00 11.25 C ATOM 883 C ASN A 56 -6.325 1.412 -25.902 1.00 44.41 C ATOM 884 O ASN A 56 -6.891 2.308 -26.530 1.00 24.43 O ATOM 885 CB ASN A 56 -3.924 1.196 -26.571 1.00 62.03 C ATOM 886 CG ASN A 56 -2.510 1.686 -26.322 1.00 73.35 C ATOM 887 OD1 ASN A 56 -2.289 2.866 -26.051 1.00 72.00 O ATOM 888 ND2 ASN A 56 -1.545 0.778 -26.414 1.00 51.35 N ATOM 0 H ASN A 56 -3.815 0.132 -24.350 1.00 54.02 H new ATOM 0 HA ASN A 56 -4.718 2.618 -25.170 1.00 11.25 H new ATOM 0 HB2 ASN A 56 -3.915 0.112 -26.688 1.00 62.03 H new ATOM 0 HB3 ASN A 56 -4.291 1.615 -27.508 1.00 62.03 H new ATOM 0 HD21 ASN A 56 -0.574 1.048 -26.257 1.00 51.35 H new ATOM 0 HD22 ASN A 56 -1.775 -0.189 -26.641 1.00 51.35 H new ATOM 895 N VAL A 57 -6.916 0.264 -25.588 1.00 12.22 N ATOM 896 CA VAL A 57 -8.295 -0.015 -25.970 1.00 32.00 C ATOM 897 C VAL A 57 -9.245 1.035 -25.405 1.00 53.15 C ATOM 898 O VAL A 57 -10.126 1.533 -26.107 1.00 40.15 O ATOM 899 CB VAL A 57 -8.741 -1.408 -25.486 1.00 2.30 C ATOM 900 CG1 VAL A 57 -10.186 -1.673 -25.880 1.00 1.15 C ATOM 901 CG2 VAL A 57 -7.822 -2.484 -26.043 1.00 63.23 C ATOM 0 H VAL A 57 -6.461 -0.488 -25.070 1.00 12.22 H new ATOM 0 HA VAL A 57 -8.333 0.013 -27.059 1.00 32.00 H new ATOM 0 HB VAL A 57 -8.676 -1.434 -24.398 1.00 2.30 H new ATOM 0 HG11 VAL A 57 -10.483 -2.661 -25.530 1.00 1.15 H new ATOM 0 HG12 VAL A 57 -10.830 -0.919 -25.428 1.00 1.15 H new ATOM 0 HG13 VAL A 57 -10.281 -1.629 -26.965 1.00 1.15 H new ATOM 0 HG21 VAL A 57 -8.151 -3.462 -25.691 1.00 63.23 H new ATOM 0 HG22 VAL A 57 -7.853 -2.461 -27.132 1.00 63.23 H new ATOM 0 HG23 VAL A 57 -6.802 -2.302 -25.705 1.00 63.23 H new ATOM 911 N CYS A 58 -9.061 1.368 -24.132 1.00 40.54 N ATOM 912 CA CYS A 58 -9.901 2.360 -23.472 1.00 0.03 C ATOM 913 C CYS A 58 -9.821 3.705 -24.188 1.00 74.15 C ATOM 914 O CYS A 58 -10.684 4.566 -24.013 1.00 43.12 O ATOM 915 CB CYS A 58 -9.480 2.523 -22.010 1.00 0.21 C ATOM 916 SG CYS A 58 -10.874 2.636 -20.843 1.00 11.32 S ATOM 0 H CYS A 58 -8.337 0.965 -23.537 1.00 40.54 H new ATOM 0 HA CYS A 58 -10.932 2.009 -23.510 1.00 0.03 H new ATOM 0 HB2 CYS A 58 -8.851 1.678 -21.728 1.00 0.21 H new ATOM 0 HB3 CYS A 58 -8.869 3.421 -21.917 1.00 0.21 H new ATOM 921 N PHE A 59 -8.781 3.878 -24.997 1.00 23.44 N ATOM 922 CA PHE A 59 -8.587 5.117 -25.740 1.00 13.32 C ATOM 923 C PHE A 59 -8.897 4.918 -27.220 1.00 71.35 C ATOM 924 O PHE A 59 -8.934 5.876 -27.992 1.00 4.14 O ATOM 925 CB PHE A 59 -7.152 5.620 -25.571 1.00 21.44 C ATOM 926 CG PHE A 59 -6.650 5.535 -24.158 1.00 22.24 C ATOM 927 CD1 PHE A 59 -7.399 6.046 -23.110 1.00 73.22 C ATOM 928 CD2 PHE A 59 -5.429 4.944 -23.877 1.00 24.34 C ATOM 929 CE1 PHE A 59 -6.939 5.970 -21.809 1.00 71.33 C ATOM 930 CE2 PHE A 59 -4.963 4.864 -22.577 1.00 53.45 C ATOM 931 CZ PHE A 59 -5.720 5.377 -21.542 1.00 52.24 C ATOM 0 H PHE A 59 -8.059 3.175 -25.155 1.00 23.44 H new ATOM 0 HA PHE A 59 -9.275 5.862 -25.340 1.00 13.32 H new ATOM 0 HB2 PHE A 59 -6.494 5.040 -26.218 1.00 21.44 H new ATOM 0 HB3 PHE A 59 -7.097 6.656 -25.906 1.00 21.44 H new ATOM 0 HD1 PHE A 59 -8.353 6.509 -23.312 1.00 73.22 H new ATOM 0 HD2 PHE A 59 -4.834 4.541 -24.683 1.00 24.34 H new ATOM 0 HE1 PHE A 59 -7.532 6.374 -21.002 1.00 71.33 H new ATOM 0 HE2 PHE A 59 -4.009 4.401 -22.372 1.00 53.45 H new ATOM 0 HZ PHE A 59 -5.360 5.315 -20.526 1.00 52.24 H new ATOM 941 N GLN A 60 -9.119 3.666 -27.609 1.00 43.21 N ATOM 942 CA GLN A 60 -9.424 3.340 -28.997 1.00 40.52 C ATOM 943 C GLN A 60 -10.928 3.190 -29.203 1.00 24.10 C ATOM 944 O GLN A 60 -11.530 3.914 -29.995 1.00 32.31 O ATOM 945 CB GLN A 60 -8.709 2.053 -29.410 1.00 32.40 C ATOM 946 CG GLN A 60 -7.297 2.279 -29.926 1.00 54.13 C ATOM 947 CD GLN A 60 -7.120 1.820 -31.360 1.00 63.40 C ATOM 948 OE1 GLN A 60 -7.617 2.452 -32.293 1.00 23.43 O ATOM 949 NE2 GLN A 60 -6.408 0.714 -31.544 1.00 23.13 N ATOM 0 H GLN A 60 -9.093 2.861 -26.983 1.00 43.21 H new ATOM 0 HA GLN A 60 -9.070 4.160 -29.623 1.00 40.52 H new ATOM 0 HB2 GLN A 60 -8.671 1.378 -28.555 1.00 32.40 H new ATOM 0 HB3 GLN A 60 -9.294 1.555 -30.183 1.00 32.40 H new ATOM 0 HG2 GLN A 60 -7.054 3.339 -29.855 1.00 54.13 H new ATOM 0 HG3 GLN A 60 -6.591 1.747 -29.288 1.00 54.13 H new ATOM 0 HE21 GLN A 60 -6.014 0.222 -30.742 1.00 23.13 H new ATOM 0 HE22 GLN A 60 -6.255 0.357 -32.487 1.00 23.13 H new ATOM 958 N GLU A 61 -11.527 2.245 -28.485 1.00 24.01 N ATOM 959 CA GLU A 61 -12.960 1.999 -28.591 1.00 11.42 C ATOM 960 C GLU A 61 -13.632 2.100 -27.224 1.00 43.13 C ATOM 961 O GLU A 61 -12.962 2.191 -26.195 1.00 62.33 O ATOM 962 CB GLU A 61 -13.220 0.620 -29.199 1.00 31.53 C ATOM 963 CG GLU A 61 -14.524 0.532 -29.973 1.00 72.35 C ATOM 964 CD GLU A 61 -14.488 -0.527 -31.058 1.00 71.04 C ATOM 965 OE1 GLU A 61 -13.508 -0.552 -31.831 1.00 62.04 O ATOM 966 OE2 GLU A 61 -15.441 -1.331 -31.134 1.00 21.01 O ATOM 0 H GLU A 61 -11.042 1.638 -27.824 1.00 24.01 H new ATOM 0 HA GLU A 61 -13.386 2.761 -29.243 1.00 11.42 H new ATOM 0 HB2 GLU A 61 -12.395 0.364 -29.864 1.00 31.53 H new ATOM 0 HB3 GLU A 61 -13.230 -0.123 -28.402 1.00 31.53 H new ATOM 0 HG2 GLU A 61 -15.338 0.312 -29.282 1.00 72.35 H new ATOM 0 HG3 GLU A 61 -14.741 1.501 -30.423 1.00 72.35 H new ATOM 973 N LYS A 62 -14.960 2.084 -27.222 1.00 53.11 N ATOM 974 CA LYS A 62 -15.725 2.173 -25.984 1.00 30.21 C ATOM 975 C LYS A 62 -17.066 1.460 -26.120 1.00 74.54 C ATOM 976 O LYS A 62 -17.613 1.349 -27.218 1.00 21.50 O ATOM 977 CB LYS A 62 -15.951 3.638 -25.604 1.00 22.14 C ATOM 978 CG LYS A 62 -16.617 3.819 -24.251 1.00 11.43 C ATOM 979 CD LYS A 62 -18.051 4.301 -24.395 1.00 41.14 C ATOM 980 CE LYS A 62 -18.108 5.758 -24.828 1.00 14.22 C ATOM 981 NZ LYS A 62 -18.921 6.583 -23.891 1.00 41.02 N ATOM 0 H LYS A 62 -15.530 2.010 -28.065 1.00 53.11 H new ATOM 0 HA LYS A 62 -15.152 1.684 -25.197 1.00 30.21 H new ATOM 0 HB2 LYS A 62 -14.992 4.156 -25.600 1.00 22.14 H new ATOM 0 HB3 LYS A 62 -16.566 4.112 -26.369 1.00 22.14 H new ATOM 0 HG2 LYS A 62 -16.603 2.874 -23.708 1.00 11.43 H new ATOM 0 HG3 LYS A 62 -16.049 4.536 -23.658 1.00 11.43 H new ATOM 0 HD2 LYS A 62 -18.572 3.682 -25.126 1.00 41.14 H new ATOM 0 HD3 LYS A 62 -18.573 4.182 -23.446 1.00 41.14 H new ATOM 0 HE2 LYS A 62 -17.097 6.161 -24.883 1.00 14.22 H new ATOM 0 HE3 LYS A 62 -18.531 5.823 -25.830 1.00 14.22 H new ATOM 0 HZ1 LYS A 62 -18.936 7.569 -24.220 1.00 41.02 H new ATOM 0 HZ2 LYS A 62 -19.893 6.214 -23.858 1.00 41.02 H new ATOM 0 HZ3 LYS A 62 -18.503 6.542 -22.940 1.00 41.02 H new ATOM 995 N VAL A 63 -17.593 0.979 -24.999 1.00 23.54 N ATOM 996 CA VAL A 63 -18.872 0.278 -24.993 1.00 4.31 C ATOM 997 C VAL A 63 -19.713 0.680 -23.786 1.00 65.53 C ATOM 998 O VAL A 63 -19.197 1.223 -22.809 1.00 12.23 O ATOM 999 CB VAL A 63 -18.675 -1.249 -24.983 1.00 20.33 C ATOM 1000 CG1 VAL A 63 -17.653 -1.663 -26.031 1.00 35.40 C ATOM 1001 CG2 VAL A 63 -18.254 -1.723 -23.600 1.00 2.43 C ATOM 0 H VAL A 63 -17.154 1.062 -24.082 1.00 23.54 H new ATOM 0 HA VAL A 63 -19.394 0.563 -25.907 1.00 4.31 H new ATOM 0 HB VAL A 63 -19.626 -1.722 -25.230 1.00 20.33 H new ATOM 0 HG11 VAL A 63 -17.527 -2.745 -26.009 1.00 35.40 H new ATOM 0 HG12 VAL A 63 -18.000 -1.358 -27.018 1.00 35.40 H new ATOM 0 HG13 VAL A 63 -16.698 -1.182 -25.818 1.00 35.40 H new ATOM 0 HG21 VAL A 63 -18.119 -2.805 -23.611 1.00 2.43 H new ATOM 0 HG22 VAL A 63 -17.316 -1.243 -23.321 1.00 2.43 H new ATOM 0 HG23 VAL A 63 -19.025 -1.461 -22.875 1.00 2.43 H new ATOM 1011 N THR A 64 -21.012 0.408 -23.860 1.00 62.54 N ATOM 1012 CA THR A 64 -21.925 0.740 -22.775 1.00 15.41 C ATOM 1013 C THR A 64 -21.959 -0.365 -21.726 1.00 23.03 C ATOM 1014 O THR A 64 -21.584 -1.506 -21.999 1.00 14.11 O ATOM 1015 CB THR A 64 -23.355 0.980 -23.297 1.00 44.11 C ATOM 1016 OG1 THR A 64 -23.316 1.342 -24.682 1.00 1.41 O ATOM 1017 CG2 THR A 64 -24.045 2.076 -22.500 1.00 13.30 C ATOM 0 H THR A 64 -21.455 -0.042 -24.661 1.00 62.54 H new ATOM 0 HA THR A 64 -21.553 1.658 -22.320 1.00 15.41 H new ATOM 0 HB THR A 64 -23.921 0.056 -23.179 1.00 44.11 H new ATOM 0 HG1 THR A 64 -24.228 1.491 -25.007 1.00 1.41 H new ATOM 0 HG21 THR A 64 -25.053 2.228 -22.887 1.00 13.30 H new ATOM 0 HG22 THR A 64 -24.099 1.784 -21.451 1.00 13.30 H new ATOM 0 HG23 THR A 64 -23.479 3.003 -22.590 1.00 13.30 H new ATOM 1025 N CYS A 65 -22.410 -0.021 -20.524 1.00 43.42 N ATOM 1026 CA CYS A 65 -22.492 -0.984 -19.433 1.00 14.31 C ATOM 1027 C CYS A 65 -23.808 -0.835 -18.674 1.00 40.53 C ATOM 1028 O CYS A 65 -24.614 0.047 -18.973 1.00 62.03 O ATOM 1029 CB CYS A 65 -21.314 -0.801 -18.474 1.00 34.53 C ATOM 1030 SG CYS A 65 -19.945 -1.971 -18.748 1.00 3.23 S ATOM 0 H CYS A 65 -22.724 0.918 -20.281 1.00 43.42 H new ATOM 0 HA CYS A 65 -22.451 -1.985 -19.861 1.00 14.31 H new ATOM 0 HB2 CYS A 65 -20.934 0.216 -18.572 1.00 34.53 H new ATOM 0 HB3 CYS A 65 -21.672 -0.910 -17.450 1.00 34.53 H new ATOM 1035 N LYS A 66 -24.019 -1.702 -17.690 1.00 62.34 N ATOM 1036 CA LYS A 66 -25.235 -1.668 -16.887 1.00 2.14 C ATOM 1037 C LYS A 66 -25.650 -0.231 -16.589 1.00 41.43 C ATOM 1038 O LYS A 66 -26.719 0.215 -17.004 1.00 33.45 O ATOM 1039 CB LYS A 66 -25.027 -2.431 -15.577 1.00 24.23 C ATOM 1040 CG LYS A 66 -26.226 -3.265 -15.161 1.00 15.40 C ATOM 1041 CD LYS A 66 -25.830 -4.372 -14.199 1.00 60.34 C ATOM 1042 CE LYS A 66 -26.722 -4.387 -12.968 1.00 11.14 C ATOM 1043 NZ LYS A 66 -28.026 -5.056 -13.235 1.00 4.42 N ATOM 0 H LYS A 66 -23.363 -2.438 -17.429 1.00 62.34 H new ATOM 0 HA LYS A 66 -26.031 -2.147 -17.458 1.00 2.14 H new ATOM 0 HB2 LYS A 66 -24.160 -3.083 -15.680 1.00 24.23 H new ATOM 0 HB3 LYS A 66 -24.798 -1.719 -14.784 1.00 24.23 H new ATOM 0 HG2 LYS A 66 -26.971 -2.623 -14.691 1.00 15.40 H new ATOM 0 HG3 LYS A 66 -26.692 -3.700 -16.045 1.00 15.40 H new ATOM 0 HD2 LYS A 66 -25.892 -5.335 -14.706 1.00 60.34 H new ATOM 0 HD3 LYS A 66 -24.792 -4.237 -13.896 1.00 60.34 H new ATOM 0 HE2 LYS A 66 -26.210 -4.901 -12.155 1.00 11.14 H new ATOM 0 HE3 LYS A 66 -26.900 -3.364 -12.636 1.00 11.14 H new ATOM 0 HZ1 LYS A 66 -28.605 -5.045 -12.371 1.00 4.42 H new ATOM 0 HZ2 LYS A 66 -28.527 -4.550 -13.994 1.00 4.42 H new ATOM 0 HZ3 LYS A 66 -27.858 -6.040 -13.527 1.00 4.42 H new ATOM 1057 N ASN A 67 -24.796 0.490 -15.870 1.00 40.50 N ATOM 1058 CA ASN A 67 -25.074 1.878 -15.518 1.00 53.24 C ATOM 1059 C ASN A 67 -25.463 2.685 -16.754 1.00 3.03 C ATOM 1060 O ASN A 67 -26.207 3.660 -16.662 1.00 43.54 O ATOM 1061 CB ASN A 67 -23.854 2.510 -14.846 1.00 12.34 C ATOM 1062 CG ASN A 67 -22.548 1.950 -15.374 1.00 3.12 C ATOM 1063 OD1 ASN A 67 -21.968 1.037 -14.786 1.00 33.31 O ATOM 1064 ND2 ASN A 67 -22.078 2.497 -16.489 1.00 25.11 N ATOM 0 H ASN A 67 -23.906 0.136 -15.520 1.00 40.50 H new ATOM 0 HA ASN A 67 -25.911 1.889 -14.820 1.00 53.24 H new ATOM 0 HB2 ASN A 67 -23.874 3.588 -15.004 1.00 12.34 H new ATOM 0 HB3 ASN A 67 -23.909 2.344 -13.770 1.00 12.34 H new ATOM 0 HD21 ASN A 67 -21.203 2.162 -16.892 1.00 25.11 H new ATOM 0 HD22 ASN A 67 -22.592 3.252 -16.943 1.00 25.11 H new ATOM 1071 N GLY A 68 -24.953 2.270 -17.910 1.00 32.34 N ATOM 1072 CA GLY A 68 -25.258 2.964 -19.147 1.00 11.11 C ATOM 1073 C GLY A 68 -24.186 3.965 -19.529 1.00 51.40 C ATOM 1074 O GLY A 68 -24.476 4.984 -20.156 1.00 5.24 O ATOM 0 H GLY A 68 -24.334 1.466 -18.011 1.00 32.34 H new ATOM 0 HA2 GLY A 68 -25.373 2.236 -19.950 1.00 11.11 H new ATOM 0 HA3 GLY A 68 -26.213 3.480 -19.045 1.00 11.11 H new ATOM 1078 N GLN A 69 -22.946 3.676 -19.150 1.00 23.25 N ATOM 1079 CA GLN A 69 -21.828 4.561 -19.455 1.00 22.33 C ATOM 1080 C GLN A 69 -20.677 3.786 -20.089 1.00 33.34 C ATOM 1081 O GLN A 69 -20.745 2.567 -20.239 1.00 33.51 O ATOM 1082 CB GLN A 69 -21.346 5.265 -18.185 1.00 63.41 C ATOM 1083 CG GLN A 69 -22.228 6.428 -17.762 1.00 34.32 C ATOM 1084 CD GLN A 69 -22.435 7.438 -18.873 1.00 72.11 C ATOM 1085 OE1 GLN A 69 -21.549 8.238 -19.173 1.00 44.03 O ATOM 1086 NE2 GLN A 69 -23.610 7.406 -19.491 1.00 11.50 N ATOM 0 H GLN A 69 -22.690 2.836 -18.631 1.00 23.25 H new ATOM 0 HA GLN A 69 -22.174 5.309 -20.168 1.00 22.33 H new ATOM 0 HB2 GLN A 69 -21.301 4.540 -17.372 1.00 63.41 H new ATOM 0 HB3 GLN A 69 -20.331 5.629 -18.344 1.00 63.41 H new ATOM 0 HG2 GLN A 69 -23.196 6.046 -17.439 1.00 34.32 H new ATOM 0 HG3 GLN A 69 -21.779 6.926 -16.903 1.00 34.32 H new ATOM 0 HE21 GLN A 69 -24.316 6.726 -19.210 1.00 11.50 H new ATOM 0 HE22 GLN A 69 -23.807 8.062 -20.247 1.00 11.50 H new ATOM 1095 N GLY A 70 -19.620 4.502 -20.459 1.00 54.33 N ATOM 1096 CA GLY A 70 -18.470 3.865 -21.073 1.00 72.12 C ATOM 1097 C GLY A 70 -17.569 3.192 -20.057 1.00 10.32 C ATOM 1098 O GLY A 70 -16.345 3.282 -20.147 1.00 15.54 O ATOM 0 H GLY A 70 -19.540 5.512 -20.344 1.00 54.33 H new ATOM 0 HA2 GLY A 70 -18.812 3.125 -21.797 1.00 72.12 H new ATOM 0 HA3 GLY A 70 -17.897 4.610 -21.625 1.00 72.12 H new ATOM 1102 N ASN A 71 -18.175 2.517 -19.086 1.00 14.23 N ATOM 1103 CA ASN A 71 -17.419 1.828 -18.046 1.00 51.42 C ATOM 1104 C ASN A 71 -16.691 0.615 -18.617 1.00 34.24 C ATOM 1105 O ASN A 71 -15.814 0.042 -17.969 1.00 74.02 O ATOM 1106 CB ASN A 71 -18.350 1.393 -16.913 1.00 30.21 C ATOM 1107 CG ASN A 71 -17.589 0.908 -15.694 1.00 13.23 C ATOM 1108 OD1 ASN A 71 -17.588 1.560 -14.650 1.00 2.44 O ATOM 1109 ND2 ASN A 71 -16.937 -0.242 -15.822 1.00 15.43 N ATOM 0 H ASN A 71 -19.188 2.432 -18.997 1.00 14.23 H new ATOM 0 HA ASN A 71 -16.677 2.521 -17.650 1.00 51.42 H new ATOM 0 HB2 ASN A 71 -18.989 2.229 -16.630 1.00 30.21 H new ATOM 0 HB3 ASN A 71 -19.005 0.598 -17.269 1.00 30.21 H new ATOM 0 HD21 ASN A 71 -16.408 -0.618 -15.036 1.00 15.43 H new ATOM 0 HD22 ASN A 71 -16.966 -0.749 -16.707 1.00 15.43 H new ATOM 1116 N CYS A 72 -17.061 0.228 -19.833 1.00 20.01 N ATOM 1117 CA CYS A 72 -16.445 -0.917 -20.492 1.00 45.01 C ATOM 1118 C CYS A 72 -15.919 -0.532 -21.872 1.00 24.11 C ATOM 1119 O CYS A 72 -16.267 0.519 -22.410 1.00 0.34 O ATOM 1120 CB CYS A 72 -17.451 -2.062 -20.619 1.00 55.11 C ATOM 1121 SG CYS A 72 -19.193 -1.532 -20.546 1.00 21.01 S ATOM 0 H CYS A 72 -17.785 0.691 -20.382 1.00 20.01 H new ATOM 0 HA CYS A 72 -15.605 -1.247 -19.881 1.00 45.01 H new ATOM 0 HB2 CYS A 72 -17.279 -2.580 -21.563 1.00 55.11 H new ATOM 0 HB3 CYS A 72 -17.268 -2.783 -19.822 1.00 55.11 H new ATOM 1126 N TYR A 73 -15.079 -1.391 -22.439 1.00 45.40 N ATOM 1127 CA TYR A 73 -14.503 -1.140 -23.755 1.00 24.21 C ATOM 1128 C TYR A 73 -14.081 -2.446 -24.423 1.00 12.34 C ATOM 1129 O TYR A 73 -13.807 -3.441 -23.751 1.00 50.41 O ATOM 1130 CB TYR A 73 -13.300 -0.203 -23.638 1.00 44.32 C ATOM 1131 CG TYR A 73 -13.491 0.905 -22.628 1.00 13.54 C ATOM 1132 CD1 TYR A 73 -13.493 0.637 -21.264 1.00 43.05 C ATOM 1133 CD2 TYR A 73 -13.670 2.222 -23.036 1.00 71.52 C ATOM 1134 CE1 TYR A 73 -13.668 1.646 -20.338 1.00 13.32 C ATOM 1135 CE2 TYR A 73 -13.845 3.238 -22.117 1.00 20.54 C ATOM 1136 CZ TYR A 73 -13.844 2.945 -20.769 1.00 22.23 C ATOM 1137 OH TYR A 73 -14.018 3.953 -19.849 1.00 4.33 O ATOM 0 H TYR A 73 -14.782 -2.267 -22.008 1.00 45.40 H new ATOM 0 HA TYR A 73 -15.266 -0.666 -24.373 1.00 24.21 H new ATOM 0 HB2 TYR A 73 -12.421 -0.786 -23.363 1.00 44.32 H new ATOM 0 HB3 TYR A 73 -13.097 0.238 -24.614 1.00 44.32 H new ATOM 0 HD1 TYR A 73 -13.355 -0.378 -20.923 1.00 43.05 H new ATOM 0 HD2 TYR A 73 -13.672 2.455 -24.091 1.00 71.52 H new ATOM 0 HE1 TYR A 73 -13.667 1.420 -19.282 1.00 13.32 H new ATOM 0 HE2 TYR A 73 -13.982 4.256 -22.452 1.00 20.54 H new ATOM 0 HH TYR A 73 -13.212 4.035 -19.298 1.00 4.33 H new ATOM 1147 N LYS A 74 -14.031 -2.434 -25.750 1.00 74.23 N ATOM 1148 CA LYS A 74 -13.642 -3.615 -26.512 1.00 42.10 C ATOM 1149 C LYS A 74 -12.315 -3.387 -27.229 1.00 1.43 C ATOM 1150 O LYS A 74 -12.100 -2.339 -27.839 1.00 33.31 O ATOM 1151 CB LYS A 74 -14.728 -3.972 -27.529 1.00 71.21 C ATOM 1152 CG LYS A 74 -15.979 -4.561 -26.901 1.00 15.20 C ATOM 1153 CD LYS A 74 -16.737 -5.437 -27.884 1.00 34.41 C ATOM 1154 CE LYS A 74 -18.174 -4.969 -28.056 1.00 12.24 C ATOM 1155 NZ LYS A 74 -18.304 -3.970 -29.152 1.00 55.22 N ATOM 0 H LYS A 74 -14.255 -1.619 -26.321 1.00 74.23 H new ATOM 0 HA LYS A 74 -13.520 -4.443 -25.814 1.00 42.10 H new ATOM 0 HB2 LYS A 74 -14.999 -3.076 -28.088 1.00 71.21 H new ATOM 0 HB3 LYS A 74 -14.322 -4.685 -28.247 1.00 71.21 H new ATOM 0 HG2 LYS A 74 -15.705 -5.149 -26.025 1.00 15.20 H new ATOM 0 HG3 LYS A 74 -16.627 -3.756 -26.555 1.00 15.20 H new ATOM 0 HD2 LYS A 74 -16.231 -5.424 -28.849 1.00 34.41 H new ATOM 0 HD3 LYS A 74 -16.729 -6.469 -27.534 1.00 34.41 H new ATOM 0 HE2 LYS A 74 -18.812 -5.827 -28.269 1.00 12.24 H new ATOM 0 HE3 LYS A 74 -18.528 -4.532 -27.122 1.00 12.24 H new ATOM 0 HZ1 LYS A 74 -19.298 -3.676 -29.238 1.00 55.22 H new ATOM 0 HZ2 LYS A 74 -17.715 -3.140 -28.937 1.00 55.22 H new ATOM 0 HZ3 LYS A 74 -17.990 -4.395 -30.048 1.00 55.22 H new ATOM 1169 N SER A 75 -11.428 -4.374 -27.152 1.00 13.03 N ATOM 1170 CA SER A 75 -10.121 -4.279 -27.791 1.00 73.33 C ATOM 1171 C SER A 75 -10.265 -3.975 -29.279 1.00 74.44 C ATOM 1172 O SER A 75 -11.283 -4.294 -29.893 1.00 41.52 O ATOM 1173 CB SER A 75 -9.340 -5.581 -27.598 1.00 51.43 C ATOM 1174 OG SER A 75 -9.844 -6.607 -28.436 1.00 45.41 O ATOM 0 H SER A 75 -11.591 -5.249 -26.653 1.00 13.03 H new ATOM 0 HA SER A 75 -9.573 -3.462 -27.322 1.00 73.33 H new ATOM 0 HB2 SER A 75 -8.286 -5.412 -27.818 1.00 51.43 H new ATOM 0 HB3 SER A 75 -9.402 -5.895 -26.556 1.00 51.43 H new ATOM 0 HG SER A 75 -9.177 -6.829 -29.119 1.00 45.41 H new ATOM 1180 N ASN A 76 -9.238 -3.357 -29.853 1.00 12.12 N ATOM 1181 CA ASN A 76 -9.249 -3.009 -31.269 1.00 15.51 C ATOM 1182 C ASN A 76 -9.294 -4.262 -32.137 1.00 71.32 C ATOM 1183 O ASN A 76 -10.100 -4.360 -33.063 1.00 23.53 O ATOM 1184 CB ASN A 76 -8.015 -2.175 -31.620 1.00 55.13 C ATOM 1185 CG ASN A 76 -7.435 -1.464 -30.413 1.00 71.00 C ATOM 1186 OD1 ASN A 76 -6.229 -1.511 -30.171 1.00 61.34 O ATOM 1187 ND2 ASN A 76 -8.294 -0.801 -29.648 1.00 10.52 N ATOM 0 H ASN A 76 -8.387 -3.087 -29.359 1.00 12.12 H new ATOM 0 HA ASN A 76 -10.145 -2.420 -31.466 1.00 15.51 H new ATOM 0 HB2 ASN A 76 -7.255 -2.822 -32.057 1.00 55.13 H new ATOM 0 HB3 ASN A 76 -8.281 -1.439 -32.379 1.00 55.13 H new ATOM 0 HD21 ASN A 76 -7.962 -0.304 -28.822 1.00 10.52 H new ATOM 0 HD22 ASN A 76 -9.286 -0.789 -29.887 1.00 10.52 H new ATOM 1194 N SER A 77 -8.423 -5.219 -31.831 1.00 52.32 N ATOM 1195 CA SER A 77 -8.361 -6.465 -32.585 1.00 64.22 C ATOM 1196 C SER A 77 -8.274 -7.664 -31.646 1.00 65.40 C ATOM 1197 O SER A 77 -8.226 -7.509 -30.426 1.00 34.12 O ATOM 1198 CB SER A 77 -7.157 -6.455 -33.530 1.00 13.40 C ATOM 1199 OG SER A 77 -7.573 -6.471 -34.885 1.00 25.22 O ATOM 0 H SER A 77 -7.751 -5.155 -31.066 1.00 52.32 H new ATOM 0 HA SER A 77 -9.275 -6.551 -33.173 1.00 64.22 H new ATOM 0 HB2 SER A 77 -6.551 -5.569 -33.343 1.00 13.40 H new ATOM 0 HB3 SER A 77 -6.526 -7.321 -33.330 1.00 13.40 H new ATOM 0 HG SER A 77 -6.786 -6.462 -35.469 1.00 25.22 H new ATOM 1205 N SER A 78 -8.253 -8.861 -32.225 1.00 2.14 N ATOM 1206 CA SER A 78 -8.175 -10.088 -31.440 1.00 53.15 C ATOM 1207 C SER A 78 -7.011 -10.031 -30.456 1.00 15.23 C ATOM 1208 O SER A 78 -5.979 -9.422 -30.734 1.00 25.33 O ATOM 1209 CB SER A 78 -8.019 -11.299 -32.363 1.00 1.53 C ATOM 1210 OG SER A 78 -6.886 -11.157 -33.202 1.00 23.42 O ATOM 0 H SER A 78 -8.289 -9.007 -33.234 1.00 2.14 H new ATOM 0 HA SER A 78 -9.101 -10.188 -30.874 1.00 53.15 H new ATOM 0 HB2 SER A 78 -7.922 -12.206 -31.766 1.00 1.53 H new ATOM 0 HB3 SER A 78 -8.915 -11.413 -32.973 1.00 1.53 H new ATOM 0 HG SER A 78 -6.807 -11.944 -33.781 1.00 23.42 H new ATOM 1216 N MET A 79 -7.188 -10.669 -29.304 1.00 24.34 N ATOM 1217 CA MET A 79 -6.152 -10.693 -28.277 1.00 40.41 C ATOM 1218 C MET A 79 -6.016 -12.087 -27.673 1.00 51.24 C ATOM 1219 O MET A 79 -6.983 -12.647 -27.155 1.00 41.42 O ATOM 1220 CB MET A 79 -6.470 -9.677 -27.178 1.00 53.01 C ATOM 1221 CG MET A 79 -5.395 -8.618 -26.999 1.00 44.13 C ATOM 1222 SD MET A 79 -5.886 -7.011 -27.653 1.00 74.11 S ATOM 1223 CE MET A 79 -5.415 -5.936 -26.300 1.00 61.40 C ATOM 0 H MET A 79 -8.038 -11.176 -29.058 1.00 24.34 H new ATOM 0 HA MET A 79 -5.205 -10.426 -28.746 1.00 40.41 H new ATOM 0 HB2 MET A 79 -7.416 -9.187 -27.410 1.00 53.01 H new ATOM 0 HB3 MET A 79 -6.608 -10.206 -26.235 1.00 53.01 H new ATOM 0 HG2 MET A 79 -5.162 -8.518 -25.939 1.00 44.13 H new ATOM 0 HG3 MET A 79 -4.482 -8.945 -27.497 1.00 44.13 H new ATOM 0 HE1 MET A 79 -6.308 -5.492 -25.860 1.00 61.40 H new ATOM 0 HE2 MET A 79 -4.887 -6.515 -25.542 1.00 61.40 H new ATOM 0 HE3 MET A 79 -4.763 -5.146 -26.673 1.00 61.40 H new ATOM 1233 N HIS A 80 -4.811 -12.643 -27.744 1.00 3.42 N ATOM 1234 CA HIS A 80 -4.549 -13.972 -27.204 1.00 0.04 C ATOM 1235 C HIS A 80 -4.912 -14.038 -25.723 1.00 50.12 C ATOM 1236 O HIS A 80 -4.586 -13.133 -24.954 1.00 33.43 O ATOM 1237 CB HIS A 80 -3.079 -14.344 -27.397 1.00 44.21 C ATOM 1238 CG HIS A 80 -2.864 -15.435 -28.400 1.00 42.15 C ATOM 1239 ND1 HIS A 80 -2.767 -16.766 -28.055 1.00 64.33 N ATOM 1240 CD2 HIS A 80 -2.729 -15.386 -29.746 1.00 41.14 C ATOM 1241 CE1 HIS A 80 -2.580 -17.489 -29.145 1.00 44.12 C ATOM 1242 NE2 HIS A 80 -2.553 -16.675 -30.185 1.00 73.23 N ATOM 0 H HIS A 80 -4.000 -12.194 -28.170 1.00 3.42 H new ATOM 0 HA HIS A 80 -5.170 -14.686 -27.745 1.00 0.04 H new ATOM 0 HB2 HIS A 80 -2.527 -13.458 -27.712 1.00 44.21 H new ATOM 0 HB3 HIS A 80 -2.663 -14.655 -26.439 1.00 44.21 H new ATOM 0 HD2 HIS A 80 -2.755 -14.498 -30.360 1.00 41.14 H new ATOM 0 HE1 HIS A 80 -2.468 -18.563 -29.180 1.00 44.12 H new ATOM 0 HE2 HIS A 80 -2.423 -16.958 -31.156 1.00 73.23 H new ATOM 1250 N ILE A 81 -5.588 -15.113 -25.332 1.00 53.32 N ATOM 1251 CA ILE A 81 -5.995 -15.296 -23.944 1.00 41.24 C ATOM 1252 C ILE A 81 -6.074 -16.776 -23.585 1.00 51.35 C ATOM 1253 O ILE A 81 -5.945 -17.644 -24.449 1.00 43.13 O ATOM 1254 CB ILE A 81 -7.359 -14.638 -23.666 1.00 52.20 C ATOM 1255 CG1 ILE A 81 -8.455 -15.315 -24.492 1.00 23.32 C ATOM 1256 CG2 ILE A 81 -7.302 -13.149 -23.973 1.00 5.33 C ATOM 1257 CD1 ILE A 81 -8.548 -14.799 -25.911 1.00 31.43 C ATOM 0 H ILE A 81 -5.865 -15.870 -25.956 1.00 53.32 H new ATOM 0 HA ILE A 81 -5.236 -14.815 -23.327 1.00 41.24 H new ATOM 0 HB ILE A 81 -7.596 -14.763 -22.610 1.00 52.20 H new ATOM 0 HG12 ILE A 81 -8.270 -16.389 -24.516 1.00 23.32 H new ATOM 0 HG13 ILE A 81 -9.415 -15.168 -23.997 1.00 23.32 H new ATOM 0 HG21 ILE A 81 -8.274 -12.698 -23.771 1.00 5.33 H new ATOM 0 HG22 ILE A 81 -6.546 -12.677 -23.346 1.00 5.33 H new ATOM 0 HG23 ILE A 81 -7.045 -13.003 -25.022 1.00 5.33 H new ATOM 0 HD11 ILE A 81 -9.346 -15.323 -26.437 1.00 31.43 H new ATOM 0 HD12 ILE A 81 -8.764 -13.731 -25.896 1.00 31.43 H new ATOM 0 HD13 ILE A 81 -7.601 -14.970 -26.423 1.00 31.43 H new ATOM 1269 N THR A 82 -6.290 -17.058 -22.304 1.00 44.32 N ATOM 1270 CA THR A 82 -6.387 -18.432 -21.830 1.00 73.31 C ATOM 1271 C THR A 82 -7.650 -18.640 -21.002 1.00 10.23 C ATOM 1272 O THR A 82 -7.940 -17.865 -20.090 1.00 51.11 O ATOM 1273 CB THR A 82 -5.161 -18.823 -20.983 1.00 54.11 C ATOM 1274 OG1 THR A 82 -4.046 -17.992 -21.324 1.00 21.15 O ATOM 1275 CG2 THR A 82 -4.797 -20.284 -21.200 1.00 40.21 C ATOM 0 H THR A 82 -6.401 -16.352 -21.576 1.00 44.32 H new ATOM 0 HA THR A 82 -6.426 -19.069 -22.714 1.00 73.31 H new ATOM 0 HB THR A 82 -5.412 -18.680 -19.932 1.00 54.11 H new ATOM 0 HG1 THR A 82 -3.248 -18.548 -21.445 1.00 21.15 H new ATOM 0 HG21 THR A 82 -3.929 -20.537 -20.592 1.00 40.21 H new ATOM 0 HG22 THR A 82 -5.638 -20.915 -20.912 1.00 40.21 H new ATOM 0 HG23 THR A 82 -4.563 -20.448 -22.252 1.00 40.21 H new ATOM 1283 N ASP A 83 -8.397 -19.690 -21.324 1.00 11.03 N ATOM 1284 CA ASP A 83 -9.629 -20.000 -20.607 1.00 61.54 C ATOM 1285 C ASP A 83 -9.353 -20.928 -19.428 1.00 43.02 C ATOM 1286 O ASP A 83 -8.813 -22.022 -19.598 1.00 4.51 O ATOM 1287 CB ASP A 83 -10.645 -20.645 -21.552 1.00 43.30 C ATOM 1288 CG ASP A 83 -12.068 -20.216 -21.252 1.00 5.12 C ATOM 1289 OD1 ASP A 83 -12.519 -20.419 -20.105 1.00 64.14 O ATOM 1290 OD2 ASP A 83 -12.730 -19.678 -22.164 1.00 14.25 O ATOM 0 H ASP A 83 -8.171 -20.341 -22.076 1.00 11.03 H new ATOM 0 HA ASP A 83 -10.042 -19.067 -20.223 1.00 61.54 H new ATOM 0 HB2 ASP A 83 -10.398 -20.382 -22.581 1.00 43.30 H new ATOM 0 HB3 ASP A 83 -10.572 -21.730 -21.474 1.00 43.30 H new ATOM 1295 N CYS A 84 -9.726 -20.484 -18.233 1.00 2.13 N ATOM 1296 CA CYS A 84 -9.517 -21.272 -17.024 1.00 73.32 C ATOM 1297 C CYS A 84 -10.842 -21.547 -16.319 1.00 12.24 C ATOM 1298 O CYS A 84 -11.391 -20.675 -15.645 1.00 2.32 O ATOM 1299 CB CYS A 84 -8.562 -20.546 -16.075 1.00 32.21 C ATOM 1300 SG CYS A 84 -6.853 -20.422 -16.692 1.00 4.23 S ATOM 0 H CYS A 84 -10.175 -19.582 -18.075 1.00 2.13 H new ATOM 0 HA CYS A 84 -9.075 -22.225 -17.313 1.00 73.32 H new ATOM 0 HB2 CYS A 84 -8.944 -19.542 -15.890 1.00 32.21 H new ATOM 0 HB3 CYS A 84 -8.554 -21.066 -15.117 1.00 32.21 H new ATOM 1305 N ARG A 85 -11.350 -22.765 -16.478 1.00 51.55 N ATOM 1306 CA ARG A 85 -12.611 -23.154 -15.858 1.00 24.10 C ATOM 1307 C ARG A 85 -12.492 -24.526 -15.200 1.00 44.22 C ATOM 1308 O ARG A 85 -11.819 -25.418 -15.718 1.00 71.42 O ATOM 1309 CB ARG A 85 -13.732 -23.171 -16.898 1.00 61.04 C ATOM 1310 CG ARG A 85 -15.015 -23.816 -16.400 1.00 51.34 C ATOM 1311 CD ARG A 85 -16.021 -23.997 -17.527 1.00 23.45 C ATOM 1312 NE ARG A 85 -16.388 -25.399 -17.712 1.00 5.10 N ATOM 1313 CZ ARG A 85 -17.063 -26.107 -16.814 1.00 2.25 C ATOM 1314 NH1 ARG A 85 -17.443 -25.547 -15.673 1.00 74.14 N ATOM 1315 NH2 ARG A 85 -17.359 -27.377 -17.055 1.00 33.51 N ATOM 0 H ARG A 85 -10.908 -23.499 -17.031 1.00 51.55 H new ATOM 0 HA ARG A 85 -12.850 -22.420 -15.089 1.00 24.10 H new ATOM 0 HB2 ARG A 85 -13.946 -22.148 -17.206 1.00 61.04 H new ATOM 0 HB3 ARG A 85 -13.387 -23.705 -17.783 1.00 61.04 H new ATOM 0 HG2 ARG A 85 -14.788 -24.785 -15.955 1.00 51.34 H new ATOM 0 HG3 ARG A 85 -15.453 -23.199 -15.615 1.00 51.34 H new ATOM 0 HD2 ARG A 85 -16.916 -23.413 -17.312 1.00 23.45 H new ATOM 0 HD3 ARG A 85 -15.601 -23.607 -18.454 1.00 23.45 H new ATOM 0 HE ARG A 85 -16.110 -25.859 -18.579 1.00 5.10 H new ATOM 0 HH11 ARG A 85 -17.217 -24.571 -15.484 1.00 74.14 H new ATOM 0 HH12 ARG A 85 -17.961 -26.093 -14.985 1.00 74.14 H new ATOM 0 HH21 ARG A 85 -17.068 -27.811 -17.931 1.00 33.51 H new ATOM 0 HH22 ARG A 85 -17.878 -27.920 -16.364 1.00 33.51 H new ATOM 1329 N LEU A 86 -13.148 -24.687 -14.057 1.00 11.44 N ATOM 1330 CA LEU A 86 -13.116 -25.949 -13.327 1.00 60.40 C ATOM 1331 C LEU A 86 -13.486 -27.115 -14.239 1.00 41.20 C ATOM 1332 O LEU A 86 -14.475 -27.056 -14.970 1.00 71.13 O ATOM 1333 CB LEU A 86 -14.073 -25.897 -12.135 1.00 3.44 C ATOM 1334 CG LEU A 86 -13.493 -25.342 -10.833 1.00 41.40 C ATOM 1335 CD1 LEU A 86 -14.560 -25.294 -9.751 1.00 13.12 C ATOM 1336 CD2 LEU A 86 -12.306 -26.179 -10.378 1.00 15.31 C ATOM 0 H LEU A 86 -13.709 -23.959 -13.615 1.00 11.44 H new ATOM 0 HA LEU A 86 -12.100 -26.103 -12.963 1.00 60.40 H new ATOM 0 HB2 LEU A 86 -14.935 -25.291 -12.413 1.00 3.44 H new ATOM 0 HB3 LEU A 86 -14.440 -26.906 -11.945 1.00 3.44 H new ATOM 0 HG LEU A 86 -13.146 -24.325 -11.017 1.00 41.40 H new ATOM 0 HD11 LEU A 86 -14.129 -24.897 -8.832 1.00 13.12 H new ATOM 0 HD12 LEU A 86 -15.378 -24.651 -10.075 1.00 13.12 H new ATOM 0 HD13 LEU A 86 -14.939 -26.300 -9.569 1.00 13.12 H new ATOM 0 HD21 LEU A 86 -11.906 -25.769 -9.450 1.00 15.31 H new ATOM 0 HD22 LEU A 86 -12.628 -27.207 -10.212 1.00 15.31 H new ATOM 0 HD23 LEU A 86 -11.532 -26.161 -11.146 1.00 15.31 H new ATOM 1348 N THR A 87 -12.686 -28.175 -14.190 1.00 23.44 N ATOM 1349 CA THR A 87 -12.929 -29.355 -15.010 1.00 31.21 C ATOM 1350 C THR A 87 -13.572 -30.470 -14.193 1.00 0.02 C ATOM 1351 O THR A 87 -13.021 -30.910 -13.185 1.00 31.12 O ATOM 1352 CB THR A 87 -11.625 -29.881 -15.638 1.00 62.42 C ATOM 1353 OG1 THR A 87 -11.885 -31.081 -16.375 1.00 72.04 O ATOM 1354 CG2 THR A 87 -10.580 -30.155 -14.567 1.00 31.22 C ATOM 0 H THR A 87 -11.863 -28.240 -13.590 1.00 23.44 H new ATOM 0 HA THR A 87 -13.610 -29.052 -15.805 1.00 31.21 H new ATOM 0 HB THR A 87 -11.239 -29.117 -16.313 1.00 62.42 H new ATOM 0 HG1 THR A 87 -11.051 -31.408 -16.772 1.00 72.04 H new ATOM 0 HG21 THR A 87 -9.668 -30.526 -15.035 1.00 31.22 H new ATOM 0 HG22 THR A 87 -10.362 -29.234 -14.027 1.00 31.22 H new ATOM 0 HG23 THR A 87 -10.960 -30.902 -13.871 1.00 31.22 H new ATOM 1362 N ASN A 88 -14.741 -30.923 -14.635 1.00 4.00 N ATOM 1363 CA ASN A 88 -15.459 -31.988 -13.944 1.00 3.43 C ATOM 1364 C ASN A 88 -15.964 -31.510 -12.586 1.00 14.02 C ATOM 1365 O ASN A 88 -15.787 -32.186 -11.573 1.00 14.50 O ATOM 1366 CB ASN A 88 -14.554 -33.208 -13.763 1.00 4.21 C ATOM 1367 CG ASN A 88 -15.220 -34.494 -14.212 1.00 14.15 C ATOM 1368 OD1 ASN A 88 -15.320 -35.454 -13.447 1.00 65.04 O ATOM 1369 ND2 ASN A 88 -15.681 -34.518 -15.457 1.00 32.03 N ATOM 0 H ASN A 88 -15.211 -30.569 -15.468 1.00 4.00 H new ATOM 0 HA ASN A 88 -16.318 -32.269 -14.554 1.00 3.43 H new ATOM 0 HB2 ASN A 88 -13.634 -33.062 -14.329 1.00 4.21 H new ATOM 0 HB3 ASN A 88 -14.272 -33.295 -12.714 1.00 4.21 H new ATOM 0 HD21 ASN A 88 -16.140 -35.356 -15.815 1.00 32.03 H new ATOM 0 HD22 ASN A 88 -15.576 -33.699 -16.056 1.00 32.03 H new ATOM 1376 N GLY A 89 -16.596 -30.340 -12.573 1.00 42.25 N ATOM 1377 CA GLY A 89 -17.118 -29.792 -11.335 1.00 51.34 C ATOM 1378 C GLY A 89 -16.118 -29.871 -10.199 1.00 32.01 C ATOM 1379 O GLY A 89 -16.500 -29.964 -9.032 1.00 71.35 O ATOM 0 H GLY A 89 -16.756 -29.762 -13.398 1.00 42.25 H new ATOM 0 HA2 GLY A 89 -17.402 -28.752 -11.493 1.00 51.34 H new ATOM 0 HA3 GLY A 89 -18.023 -30.331 -11.056 1.00 51.34 H new ATOM 1383 N SER A 90 -14.834 -29.836 -10.539 1.00 42.32 N ATOM 1384 CA SER A 90 -13.776 -29.910 -9.539 1.00 4.23 C ATOM 1385 C SER A 90 -13.991 -28.871 -8.442 1.00 43.24 C ATOM 1386 O SER A 90 -14.258 -27.702 -8.723 1.00 75.43 O ATOM 1387 CB SER A 90 -12.409 -29.701 -10.194 1.00 52.43 C ATOM 1388 OG SER A 90 -11.925 -30.907 -10.759 1.00 45.50 O ATOM 0 H SER A 90 -14.501 -29.757 -11.500 1.00 42.32 H new ATOM 0 HA SER A 90 -13.806 -30.902 -9.087 1.00 4.23 H new ATOM 0 HB2 SER A 90 -12.486 -28.938 -10.969 1.00 52.43 H new ATOM 0 HB3 SER A 90 -11.700 -29.332 -9.453 1.00 52.43 H new ATOM 0 HG SER A 90 -12.086 -30.903 -11.726 1.00 45.50 H new ATOM 1394 N ARG A 91 -13.872 -29.306 -7.192 1.00 44.42 N ATOM 1395 CA ARG A 91 -14.054 -28.415 -6.053 1.00 10.42 C ATOM 1396 C ARG A 91 -12.908 -28.564 -5.057 1.00 21.34 C ATOM 1397 O ARG A 91 -12.187 -29.563 -5.069 1.00 53.43 O ATOM 1398 CB ARG A 91 -15.387 -28.704 -5.360 1.00 50.02 C ATOM 1399 CG ARG A 91 -16.325 -27.509 -5.321 1.00 0.43 C ATOM 1400 CD ARG A 91 -15.812 -26.429 -4.380 1.00 74.21 C ATOM 1401 NE ARG A 91 -16.902 -25.728 -3.706 1.00 41.14 N ATOM 1402 CZ ARG A 91 -16.784 -24.509 -3.191 1.00 60.13 C ATOM 1403 NH1 ARG A 91 -15.631 -23.860 -3.273 1.00 63.10 N ATOM 1404 NH2 ARG A 91 -17.821 -23.937 -2.593 1.00 52.03 N ATOM 0 H ARG A 91 -13.650 -30.270 -6.943 1.00 44.42 H new ATOM 0 HA ARG A 91 -14.059 -27.390 -6.423 1.00 10.42 H new ATOM 0 HB2 ARG A 91 -15.883 -29.528 -5.874 1.00 50.02 H new ATOM 0 HB3 ARG A 91 -15.192 -29.036 -4.340 1.00 50.02 H new ATOM 0 HG2 ARG A 91 -16.434 -27.097 -6.324 1.00 0.43 H new ATOM 0 HG3 ARG A 91 -17.315 -27.832 -5.000 1.00 0.43 H new ATOM 0 HD2 ARG A 91 -15.155 -26.879 -3.636 1.00 74.21 H new ATOM 0 HD3 ARG A 91 -15.213 -25.713 -4.942 1.00 74.21 H new ATOM 0 HE ARG A 91 -17.803 -26.200 -3.626 1.00 41.14 H new ATOM 0 HH11 ARG A 91 -14.832 -24.296 -3.732 1.00 63.10 H new ATOM 0 HH12 ARG A 91 -15.543 -22.924 -2.877 1.00 63.10 H new ATOM 0 HH21 ARG A 91 -18.710 -24.433 -2.528 1.00 52.03 H new ATOM 0 HH22 ARG A 91 -17.729 -23.001 -2.198 1.00 52.03 H new ATOM 1418 N TYR A 92 -12.745 -27.566 -4.196 1.00 34.04 N ATOM 1419 CA TYR A 92 -11.685 -27.585 -3.195 1.00 34.04 C ATOM 1420 C TYR A 92 -11.714 -28.884 -2.395 1.00 72.11 C ATOM 1421 O TYR A 92 -12.770 -29.372 -1.992 1.00 54.10 O ATOM 1422 CB TYR A 92 -11.825 -26.389 -2.251 1.00 63.20 C ATOM 1423 CG TYR A 92 -10.597 -26.139 -1.405 1.00 22.21 C ATOM 1424 CD1 TYR A 92 -10.213 -27.041 -0.419 1.00 50.45 C ATOM 1425 CD2 TYR A 92 -9.821 -25.002 -1.590 1.00 40.40 C ATOM 1426 CE1 TYR A 92 -9.092 -26.816 0.357 1.00 73.14 C ATOM 1427 CE2 TYR A 92 -8.698 -24.770 -0.820 1.00 0.22 C ATOM 1428 CZ TYR A 92 -8.338 -25.680 0.152 1.00 1.33 C ATOM 1429 OH TYR A 92 -7.221 -25.452 0.923 1.00 44.44 O ATOM 0 H TYR A 92 -13.334 -26.733 -4.171 1.00 34.04 H new ATOM 0 HA TYR A 92 -10.729 -27.520 -3.714 1.00 34.04 H new ATOM 0 HB2 TYR A 92 -12.039 -25.496 -2.838 1.00 63.20 H new ATOM 0 HB3 TYR A 92 -12.681 -26.552 -1.596 1.00 63.20 H new ATOM 0 HD1 TYR A 92 -10.801 -27.932 -0.257 1.00 50.45 H new ATOM 0 HD2 TYR A 92 -10.101 -24.287 -2.349 1.00 40.40 H new ATOM 0 HE1 TYR A 92 -8.808 -27.526 1.120 1.00 73.14 H new ATOM 0 HE2 TYR A 92 -8.105 -23.881 -0.978 1.00 0.22 H new ATOM 0 HH TYR A 92 -6.802 -24.609 0.651 1.00 44.44 H new ATOM 1439 N PRO A 93 -10.525 -29.459 -2.159 1.00 15.41 N ATOM 1440 CA PRO A 93 -9.262 -28.888 -2.634 1.00 42.52 C ATOM 1441 C PRO A 93 -9.116 -28.982 -4.149 1.00 55.11 C ATOM 1442 O PRO A 93 -8.370 -28.217 -4.759 1.00 74.32 O ATOM 1443 CB PRO A 93 -8.201 -29.746 -1.941 1.00 33.42 C ATOM 1444 CG PRO A 93 -8.881 -31.045 -1.673 1.00 12.30 C ATOM 1445 CD PRO A 93 -10.323 -30.710 -1.410 1.00 75.41 C ATOM 0 HA PRO A 93 -9.185 -27.825 -2.407 1.00 42.52 H new ATOM 0 HB2 PRO A 93 -7.325 -29.881 -2.575 1.00 33.42 H new ATOM 0 HB3 PRO A 93 -7.857 -29.281 -1.017 1.00 33.42 H new ATOM 0 HG2 PRO A 93 -8.786 -31.719 -2.525 1.00 12.30 H new ATOM 0 HG3 PRO A 93 -8.435 -31.550 -0.816 1.00 12.30 H new ATOM 0 HD2 PRO A 93 -10.989 -31.499 -1.759 1.00 75.41 H new ATOM 0 HD3 PRO A 93 -10.517 -30.577 -0.346 1.00 75.41 H new ATOM 1453 N ASN A 94 -9.835 -29.925 -4.750 1.00 51.54 N ATOM 1454 CA ASN A 94 -9.786 -30.118 -6.195 1.00 24.50 C ATOM 1455 C ASN A 94 -10.114 -28.822 -6.929 1.00 72.25 C ATOM 1456 O ASN A 94 -11.272 -28.406 -6.990 1.00 64.43 O ATOM 1457 CB ASN A 94 -10.762 -31.218 -6.617 1.00 32.34 C ATOM 1458 CG ASN A 94 -11.185 -32.094 -5.453 1.00 5.24 C ATOM 1459 OD1 ASN A 94 -12.374 -32.243 -5.174 1.00 33.53 O ATOM 1460 ND2 ASN A 94 -10.209 -32.677 -4.767 1.00 25.05 N ATOM 0 H ASN A 94 -10.458 -30.567 -4.259 1.00 51.54 H new ATOM 0 HA ASN A 94 -8.773 -30.419 -6.462 1.00 24.50 H new ATOM 0 HB2 ASN A 94 -11.645 -30.764 -7.066 1.00 32.34 H new ATOM 0 HB3 ASN A 94 -10.297 -31.837 -7.384 1.00 32.34 H new ATOM 0 HD21 ASN A 94 -10.432 -33.277 -3.973 1.00 25.05 H new ATOM 0 HD22 ASN A 94 -9.236 -32.525 -5.034 1.00 25.05 H new ATOM 1467 N CYS A 95 -9.088 -28.188 -7.487 1.00 31.02 N ATOM 1468 CA CYS A 95 -9.266 -26.939 -8.218 1.00 20.32 C ATOM 1469 C CYS A 95 -8.852 -27.100 -9.678 1.00 10.13 C ATOM 1470 O CYS A 95 -8.611 -26.116 -10.377 1.00 74.52 O ATOM 1471 CB CYS A 95 -8.451 -25.821 -7.565 1.00 64.31 C ATOM 1472 SG CYS A 95 -9.392 -24.811 -6.377 1.00 40.32 S ATOM 0 H CYS A 95 -8.124 -28.519 -7.447 1.00 31.02 H new ATOM 0 HA CYS A 95 -10.323 -26.675 -8.185 1.00 20.32 H new ATOM 0 HB2 CYS A 95 -7.595 -26.261 -7.053 1.00 64.31 H new ATOM 0 HB3 CYS A 95 -8.056 -25.171 -8.345 1.00 64.31 H new ATOM 1477 N ALA A 96 -8.772 -28.347 -10.130 1.00 43.14 N ATOM 1478 CA ALA A 96 -8.389 -28.637 -11.507 1.00 14.22 C ATOM 1479 C ALA A 96 -9.243 -27.846 -12.492 1.00 13.11 C ATOM 1480 O ALA A 96 -10.462 -28.014 -12.546 1.00 41.41 O ATOM 1481 CB ALA A 96 -8.505 -30.128 -11.784 1.00 33.43 C ATOM 0 H ALA A 96 -8.967 -29.172 -9.563 1.00 43.14 H new ATOM 0 HA ALA A 96 -7.351 -28.334 -11.641 1.00 14.22 H new ATOM 0 HB1 ALA A 96 -8.216 -30.330 -12.815 1.00 33.43 H new ATOM 0 HB2 ALA A 96 -7.847 -30.676 -11.109 1.00 33.43 H new ATOM 0 HB3 ALA A 96 -9.535 -30.448 -11.626 1.00 33.43 H new ATOM 1487 N TYR A 97 -8.597 -26.984 -13.268 1.00 42.34 N ATOM 1488 CA TYR A 97 -9.298 -26.164 -14.250 1.00 21.32 C ATOM 1489 C TYR A 97 -9.061 -26.686 -15.664 1.00 10.32 C ATOM 1490 O TYR A 97 -8.366 -27.683 -15.862 1.00 14.34 O ATOM 1491 CB TYR A 97 -8.842 -24.708 -14.148 1.00 41.22 C ATOM 1492 CG TYR A 97 -9.032 -24.108 -12.773 1.00 70.23 C ATOM 1493 CD1 TYR A 97 -10.290 -24.052 -12.187 1.00 14.52 C ATOM 1494 CD2 TYR A 97 -7.954 -23.597 -12.061 1.00 61.52 C ATOM 1495 CE1 TYR A 97 -10.469 -23.504 -10.931 1.00 72.00 C ATOM 1496 CE2 TYR A 97 -8.123 -23.050 -10.804 1.00 51.44 C ATOM 1497 CZ TYR A 97 -9.383 -23.005 -10.244 1.00 5.13 C ATOM 1498 OH TYR A 97 -9.555 -22.459 -8.993 1.00 14.43 O ATOM 0 H TYR A 97 -7.589 -26.834 -13.237 1.00 42.34 H new ATOM 0 HA TYR A 97 -10.365 -26.219 -14.036 1.00 21.32 H new ATOM 0 HB2 TYR A 97 -7.788 -24.646 -14.419 1.00 41.22 H new ATOM 0 HB3 TYR A 97 -9.394 -24.112 -14.875 1.00 41.22 H new ATOM 0 HD1 TYR A 97 -11.143 -24.443 -12.722 1.00 14.52 H new ATOM 0 HD2 TYR A 97 -6.967 -23.628 -12.498 1.00 61.52 H new ATOM 0 HE1 TYR A 97 -11.454 -23.467 -10.490 1.00 72.00 H new ATOM 0 HE2 TYR A 97 -7.274 -22.660 -10.263 1.00 51.44 H new ATOM 0 HH TYR A 97 -9.499 -23.166 -8.317 1.00 14.43 H new ATOM 1508 N ARG A 98 -9.643 -26.003 -16.644 1.00 74.33 N ATOM 1509 CA ARG A 98 -9.497 -26.397 -18.041 1.00 12.45 C ATOM 1510 C ARG A 98 -8.828 -25.290 -18.850 1.00 52.40 C ATOM 1511 O ARG A 98 -9.465 -24.301 -19.216 1.00 3.24 O ATOM 1512 CB ARG A 98 -10.863 -26.730 -18.644 1.00 64.52 C ATOM 1513 CG ARG A 98 -10.987 -28.172 -19.108 1.00 73.52 C ATOM 1514 CD ARG A 98 -12.335 -28.432 -19.763 1.00 61.42 C ATOM 1515 NE ARG A 98 -12.387 -29.743 -20.406 1.00 53.42 N ATOM 1516 CZ ARG A 98 -13.497 -30.269 -20.913 1.00 2.23 C ATOM 1517 NH1 ARG A 98 -14.640 -29.600 -20.852 1.00 3.54 N ATOM 1518 NH2 ARG A 98 -13.464 -31.467 -21.482 1.00 54.34 N ATOM 0 H ARG A 98 -10.220 -25.175 -16.497 1.00 74.33 H new ATOM 0 HA ARG A 98 -8.865 -27.284 -18.079 1.00 12.45 H new ATOM 0 HB2 ARG A 98 -11.637 -26.527 -17.904 1.00 64.52 H new ATOM 0 HB3 ARG A 98 -11.049 -26.068 -19.489 1.00 64.52 H new ATOM 0 HG2 ARG A 98 -10.188 -28.398 -19.814 1.00 73.52 H new ATOM 0 HG3 ARG A 98 -10.859 -28.841 -18.257 1.00 73.52 H new ATOM 0 HD2 ARG A 98 -13.122 -28.365 -19.012 1.00 61.42 H new ATOM 0 HD3 ARG A 98 -12.534 -27.657 -20.503 1.00 61.42 H new ATOM 0 HE ARG A 98 -11.524 -30.284 -20.469 1.00 53.42 H new ATOM 0 HH11 ARG A 98 -14.669 -28.679 -20.415 1.00 3.54 H new ATOM 0 HH12 ARG A 98 -15.490 -30.006 -21.242 1.00 3.54 H new ATOM 0 HH21 ARG A 98 -12.586 -31.985 -21.530 1.00 54.34 H new ATOM 0 HH22 ARG A 98 -14.316 -31.870 -21.871 1.00 54.34 H new ATOM 1532 N THR A 99 -7.539 -25.462 -19.127 1.00 33.12 N ATOM 1533 CA THR A 99 -6.783 -24.478 -19.891 1.00 33.00 C ATOM 1534 C THR A 99 -7.114 -24.563 -21.377 1.00 32.24 C ATOM 1535 O THR A 99 -6.683 -25.487 -22.066 1.00 45.35 O ATOM 1536 CB THR A 99 -5.266 -24.666 -19.703 1.00 40.21 C ATOM 1537 OG1 THR A 99 -4.968 -24.896 -18.321 1.00 72.05 O ATOM 1538 CG2 THR A 99 -4.505 -23.444 -20.194 1.00 44.14 C ATOM 0 H THR A 99 -6.997 -26.274 -18.833 1.00 33.12 H new ATOM 0 HA THR A 99 -7.070 -23.496 -19.513 1.00 33.00 H new ATOM 0 HB THR A 99 -4.954 -25.530 -20.290 1.00 40.21 H new ATOM 0 HG1 THR A 99 -4.959 -25.860 -18.144 1.00 72.05 H new ATOM 0 HG21 THR A 99 -3.436 -23.600 -20.051 1.00 44.14 H new ATOM 0 HG22 THR A 99 -4.711 -23.288 -21.253 1.00 44.14 H new ATOM 0 HG23 THR A 99 -4.822 -22.567 -19.630 1.00 44.14 H new ATOM 1546 N SER A 100 -7.882 -23.594 -21.864 1.00 13.25 N ATOM 1547 CA SER A 100 -8.274 -23.561 -23.268 1.00 23.22 C ATOM 1548 C SER A 100 -7.556 -22.435 -24.006 1.00 24.51 C ATOM 1549 O SER A 100 -7.929 -21.265 -23.921 1.00 20.44 O ATOM 1550 CB SER A 100 -9.788 -23.384 -23.393 1.00 51.21 C ATOM 1551 OG SER A 100 -10.353 -24.389 -24.217 1.00 42.11 O ATOM 0 H SER A 100 -8.245 -22.821 -21.307 1.00 13.25 H new ATOM 0 HA SER A 100 -7.988 -24.510 -23.722 1.00 23.22 H new ATOM 0 HB2 SER A 100 -10.244 -23.421 -22.404 1.00 51.21 H new ATOM 0 HB3 SER A 100 -10.009 -22.401 -23.809 1.00 51.21 H new ATOM 0 HG SER A 100 -11.322 -24.255 -24.279 1.00 42.11 H new ATOM 1557 N PRO A 101 -6.499 -22.796 -24.749 1.00 62.11 N ATOM 1558 CA PRO A 101 -5.706 -21.832 -25.518 1.00 24.34 C ATOM 1559 C PRO A 101 -6.474 -21.267 -26.708 1.00 24.43 C ATOM 1560 O PRO A 101 -6.883 -22.007 -27.603 1.00 51.52 O ATOM 1561 CB PRO A 101 -4.510 -22.659 -25.997 1.00 3.04 C ATOM 1562 CG PRO A 101 -5.006 -24.063 -26.022 1.00 62.40 C ATOM 1563 CD PRO A 101 -5.997 -24.173 -24.897 1.00 13.22 C ATOM 0 HA PRO A 101 -5.429 -20.963 -24.921 1.00 24.34 H new ATOM 0 HB2 PRO A 101 -4.178 -22.339 -26.984 1.00 3.04 H new ATOM 0 HB3 PRO A 101 -3.659 -22.552 -25.324 1.00 3.04 H new ATOM 0 HG2 PRO A 101 -5.475 -24.294 -26.979 1.00 62.40 H new ATOM 0 HG3 PRO A 101 -4.186 -24.769 -25.890 1.00 62.40 H new ATOM 0 HD2 PRO A 101 -6.800 -24.870 -25.136 1.00 13.22 H new ATOM 0 HD3 PRO A 101 -5.527 -24.530 -23.981 1.00 13.22 H new ATOM 1571 N LYS A 102 -6.666 -19.953 -26.712 1.00 3.31 N ATOM 1572 CA LYS A 102 -7.383 -19.287 -27.793 1.00 31.22 C ATOM 1573 C LYS A 102 -6.970 -17.823 -27.899 1.00 42.25 C ATOM 1574 O LYS A 102 -6.219 -17.319 -27.065 1.00 45.24 O ATOM 1575 CB LYS A 102 -8.893 -19.387 -27.567 1.00 55.31 C ATOM 1576 CG LYS A 102 -9.443 -20.793 -27.738 1.00 3.52 C ATOM 1577 CD LYS A 102 -10.936 -20.845 -27.463 1.00 53.15 C ATOM 1578 CE LYS A 102 -11.321 -22.109 -26.709 1.00 45.44 C ATOM 1579 NZ LYS A 102 -12.252 -22.963 -27.497 1.00 13.32 N ATOM 0 H LYS A 102 -6.335 -19.327 -25.978 1.00 3.31 H new ATOM 0 HA LYS A 102 -7.127 -19.786 -28.727 1.00 31.22 H new ATOM 0 HB2 LYS A 102 -9.125 -19.035 -26.562 1.00 55.31 H new ATOM 0 HB3 LYS A 102 -9.401 -18.720 -28.264 1.00 55.31 H new ATOM 0 HG2 LYS A 102 -9.247 -21.141 -28.752 1.00 3.52 H new ATOM 0 HG3 LYS A 102 -8.924 -21.472 -27.062 1.00 3.52 H new ATOM 0 HD2 LYS A 102 -11.231 -19.970 -26.883 1.00 53.15 H new ATOM 0 HD3 LYS A 102 -11.482 -20.802 -28.405 1.00 53.15 H new ATOM 0 HE2 LYS A 102 -10.422 -22.677 -26.469 1.00 45.44 H new ATOM 0 HE3 LYS A 102 -11.789 -21.839 -25.762 1.00 45.44 H new ATOM 0 HZ1 LYS A 102 -12.490 -23.814 -26.949 1.00 13.32 H new ATOM 0 HZ2 LYS A 102 -13.121 -22.430 -27.704 1.00 13.32 H new ATOM 0 HZ3 LYS A 102 -11.796 -23.242 -28.389 1.00 13.32 H new ATOM 1593 N GLU A 103 -7.467 -17.146 -28.930 1.00 2.20 N ATOM 1594 CA GLU A 103 -7.149 -15.739 -29.144 1.00 4.13 C ATOM 1595 C GLU A 103 -8.308 -15.016 -29.823 1.00 13.12 C ATOM 1596 O GLU A 103 -8.730 -15.389 -30.917 1.00 53.25 O ATOM 1597 CB GLU A 103 -5.882 -15.603 -29.991 1.00 1.50 C ATOM 1598 CG GLU A 103 -5.817 -16.583 -31.150 1.00 44.43 C ATOM 1599 CD GLU A 103 -4.964 -16.074 -32.297 1.00 33.22 C ATOM 1600 OE1 GLU A 103 -3.838 -15.602 -32.034 1.00 54.30 O ATOM 1601 OE2 GLU A 103 -5.423 -16.148 -33.456 1.00 23.31 O ATOM 0 H GLU A 103 -8.091 -17.549 -29.629 1.00 2.20 H new ATOM 0 HA GLU A 103 -6.978 -15.280 -28.170 1.00 4.13 H new ATOM 0 HB2 GLU A 103 -5.823 -14.587 -30.381 1.00 1.50 H new ATOM 0 HB3 GLU A 103 -5.011 -15.750 -29.353 1.00 1.50 H new ATOM 0 HG2 GLU A 103 -5.415 -17.532 -30.796 1.00 44.43 H new ATOM 0 HG3 GLU A 103 -6.826 -16.780 -31.512 1.00 44.43 H new ATOM 1608 N ARG A 104 -8.819 -13.980 -29.165 1.00 22.22 N ATOM 1609 CA ARG A 104 -9.930 -13.206 -29.703 1.00 55.32 C ATOM 1610 C ARG A 104 -10.129 -11.917 -28.911 1.00 42.54 C ATOM 1611 O ARG A 104 -9.560 -11.744 -27.833 1.00 43.00 O ATOM 1612 CB ARG A 104 -11.216 -14.034 -29.679 1.00 71.43 C ATOM 1613 CG ARG A 104 -12.003 -13.976 -30.978 1.00 41.44 C ATOM 1614 CD ARG A 104 -11.781 -15.222 -31.821 1.00 45.32 C ATOM 1615 NE ARG A 104 -12.542 -16.363 -31.322 1.00 30.42 N ATOM 1616 CZ ARG A 104 -12.904 -17.393 -32.079 1.00 31.12 C ATOM 1617 NH1 ARG A 104 -12.575 -17.424 -33.363 1.00 34.11 N ATOM 1618 NH2 ARG A 104 -13.596 -18.395 -31.551 1.00 52.15 N ATOM 0 H ARG A 104 -8.481 -13.658 -28.258 1.00 22.22 H new ATOM 0 HA ARG A 104 -9.692 -12.946 -30.734 1.00 55.32 H new ATOM 0 HB2 ARG A 104 -10.965 -15.072 -29.462 1.00 71.43 H new ATOM 0 HB3 ARG A 104 -11.849 -13.682 -28.865 1.00 71.43 H new ATOM 0 HG2 ARG A 104 -13.065 -13.870 -30.757 1.00 41.44 H new ATOM 0 HG3 ARG A 104 -11.706 -13.094 -31.545 1.00 41.44 H new ATOM 0 HD2 ARG A 104 -12.068 -15.018 -32.852 1.00 45.32 H new ATOM 0 HD3 ARG A 104 -10.720 -15.470 -31.829 1.00 45.32 H new ATOM 0 HE ARG A 104 -12.811 -16.370 -30.338 1.00 30.42 H new ATOM 0 HH11 ARG A 104 -12.043 -16.656 -33.772 1.00 34.11 H new ATOM 0 HH12 ARG A 104 -12.854 -18.216 -33.942 1.00 34.11 H new ATOM 0 HH21 ARG A 104 -13.850 -18.375 -30.563 1.00 52.15 H new ATOM 0 HH22 ARG A 104 -13.874 -19.185 -32.133 1.00 52.15 H new ATOM 1632 N HIS A 105 -10.939 -11.013 -29.454 1.00 72.42 N ATOM 1633 CA HIS A 105 -11.213 -9.740 -28.799 1.00 2.55 C ATOM 1634 C HIS A 105 -11.661 -9.956 -27.356 1.00 62.03 C ATOM 1635 O HIS A 105 -11.986 -11.075 -26.959 1.00 32.22 O ATOM 1636 CB HIS A 105 -12.285 -8.966 -29.567 1.00 65.02 C ATOM 1637 CG HIS A 105 -12.087 -8.983 -31.052 1.00 22.43 C ATOM 1638 ND1 HIS A 105 -11.641 -7.890 -31.764 1.00 74.25 N ATOM 1639 CD2 HIS A 105 -12.275 -9.971 -31.958 1.00 50.44 C ATOM 1640 CE1 HIS A 105 -11.566 -8.204 -33.046 1.00 1.35 C ATOM 1641 NE2 HIS A 105 -11.945 -9.461 -33.190 1.00 5.21 N ATOM 0 H HIS A 105 -11.417 -11.139 -30.346 1.00 72.42 H new ATOM 0 HA HIS A 105 -10.291 -9.159 -28.792 1.00 2.55 H new ATOM 0 HB2 HIS A 105 -13.263 -9.387 -29.334 1.00 65.02 H new ATOM 0 HB3 HIS A 105 -12.293 -7.932 -29.221 1.00 65.02 H new ATOM 0 HD2 HIS A 105 -12.620 -10.973 -31.751 1.00 50.44 H new ATOM 0 HE1 HIS A 105 -11.249 -7.545 -33.840 1.00 1.35 H new ATOM 0 HE2 HIS A 105 -11.986 -9.970 -34.073 1.00 5.21 H new ATOM 1649 N ILE A 106 -11.674 -8.879 -26.578 1.00 73.11 N ATOM 1650 CA ILE A 106 -12.083 -8.952 -25.181 1.00 23.12 C ATOM 1651 C ILE A 106 -12.651 -7.620 -24.704 1.00 0.22 C ATOM 1652 O ILE A 106 -12.363 -6.570 -25.279 1.00 14.52 O ATOM 1653 CB ILE A 106 -10.906 -9.351 -24.270 1.00 52.14 C ATOM 1654 CG1 ILE A 106 -9.579 -8.917 -24.896 1.00 60.33 C ATOM 1655 CG2 ILE A 106 -10.915 -10.852 -24.020 1.00 40.55 C ATOM 1656 CD1 ILE A 106 -8.405 -9.007 -23.946 1.00 72.14 C ATOM 0 H ILE A 106 -11.406 -7.946 -26.891 1.00 73.11 H new ATOM 0 HA ILE A 106 -12.857 -9.717 -25.118 1.00 23.12 H new ATOM 0 HB ILE A 106 -11.018 -8.843 -23.312 1.00 52.14 H new ATOM 0 HG12 ILE A 106 -9.378 -9.538 -25.769 1.00 60.33 H new ATOM 0 HG13 ILE A 106 -9.672 -7.890 -25.250 1.00 60.33 H new ATOM 0 HG21 ILE A 106 -10.078 -11.118 -23.375 1.00 40.55 H new ATOM 0 HG22 ILE A 106 -11.850 -11.135 -23.536 1.00 40.55 H new ATOM 0 HG23 ILE A 106 -10.824 -11.380 -24.969 1.00 40.55 H new ATOM 0 HD11 ILE A 106 -7.498 -8.684 -24.457 1.00 72.14 H new ATOM 0 HD12 ILE A 106 -8.584 -8.364 -23.084 1.00 72.14 H new ATOM 0 HD13 ILE A 106 -8.286 -10.038 -23.612 1.00 72.14 H new ATOM 1668 N ILE A 107 -13.457 -7.670 -23.649 1.00 32.41 N ATOM 1669 CA ILE A 107 -14.063 -6.467 -23.093 1.00 32.12 C ATOM 1670 C ILE A 107 -13.675 -6.281 -21.630 1.00 25.51 C ATOM 1671 O ILE A 107 -13.897 -7.164 -20.801 1.00 1.45 O ATOM 1672 CB ILE A 107 -15.599 -6.508 -23.203 1.00 42.51 C ATOM 1673 CG1 ILE A 107 -16.024 -7.379 -24.386 1.00 71.53 C ATOM 1674 CG2 ILE A 107 -16.157 -5.100 -23.348 1.00 43.42 C ATOM 1675 CD1 ILE A 107 -17.524 -7.466 -24.565 1.00 23.44 C ATOM 0 H ILE A 107 -13.705 -8.531 -23.162 1.00 32.41 H new ATOM 0 HA ILE A 107 -13.687 -5.626 -23.676 1.00 32.12 H new ATOM 0 HB ILE A 107 -16.002 -6.946 -22.290 1.00 42.51 H new ATOM 0 HG12 ILE A 107 -15.580 -6.980 -25.298 1.00 71.53 H new ATOM 0 HG13 ILE A 107 -15.624 -8.384 -24.249 1.00 71.53 H new ATOM 0 HG21 ILE A 107 -17.243 -5.145 -23.425 1.00 43.42 H new ATOM 0 HG22 ILE A 107 -15.879 -4.507 -22.477 1.00 43.42 H new ATOM 0 HG23 ILE A 107 -15.749 -4.638 -24.247 1.00 43.42 H new ATOM 0 HD11 ILE A 107 -17.752 -8.100 -25.422 1.00 23.44 H new ATOM 0 HD12 ILE A 107 -17.973 -7.893 -23.668 1.00 23.44 H new ATOM 0 HD13 ILE A 107 -17.929 -6.468 -24.734 1.00 23.44 H new ATOM 1687 N VAL A 108 -13.094 -5.127 -21.319 1.00 41.35 N ATOM 1688 CA VAL A 108 -12.677 -4.823 -19.956 1.00 24.12 C ATOM 1689 C VAL A 108 -13.198 -3.461 -19.512 1.00 32.22 C ATOM 1690 O VAL A 108 -13.578 -2.631 -20.337 1.00 62.34 O ATOM 1691 CB VAL A 108 -11.142 -4.842 -19.821 1.00 54.10 C ATOM 1692 CG1 VAL A 108 -10.655 -6.238 -19.464 1.00 4.43 C ATOM 1693 CG2 VAL A 108 -10.489 -4.352 -21.105 1.00 32.34 C ATOM 0 H VAL A 108 -12.901 -4.387 -21.994 1.00 41.35 H new ATOM 0 HA VAL A 108 -13.101 -5.597 -19.316 1.00 24.12 H new ATOM 0 HB VAL A 108 -10.856 -4.167 -19.015 1.00 54.10 H new ATOM 0 HG11 VAL A 108 -9.569 -6.232 -19.373 1.00 4.43 H new ATOM 0 HG12 VAL A 108 -11.097 -6.546 -18.517 1.00 4.43 H new ATOM 0 HG13 VAL A 108 -10.950 -6.937 -20.246 1.00 4.43 H new ATOM 0 HG21 VAL A 108 -9.405 -4.372 -20.992 1.00 32.34 H new ATOM 0 HG22 VAL A 108 -10.780 -5.000 -21.932 1.00 32.34 H new ATOM 0 HG23 VAL A 108 -10.814 -3.332 -21.312 1.00 32.34 H new ATOM 1703 N ALA A 109 -13.214 -3.238 -18.202 1.00 5.12 N ATOM 1704 CA ALA A 109 -13.686 -1.975 -17.648 1.00 31.34 C ATOM 1705 C ALA A 109 -12.542 -1.192 -17.013 1.00 31.14 C ATOM 1706 O ALA A 109 -12.112 -1.495 -15.899 1.00 44.23 O ATOM 1707 CB ALA A 109 -14.787 -2.226 -16.628 1.00 1.24 C ATOM 0 H ALA A 109 -12.906 -3.916 -17.505 1.00 5.12 H new ATOM 0 HA ALA A 109 -14.091 -1.377 -18.464 1.00 31.34 H new ATOM 0 HB1 ALA A 109 -15.131 -1.275 -16.222 1.00 1.24 H new ATOM 0 HB2 ALA A 109 -15.620 -2.737 -17.110 1.00 1.24 H new ATOM 0 HB3 ALA A 109 -14.400 -2.847 -15.820 1.00 1.24 H new ATOM 1713 N CYS A 110 -12.053 -0.184 -17.727 1.00 62.43 N ATOM 1714 CA CYS A 110 -10.957 0.642 -17.235 1.00 15.13 C ATOM 1715 C CYS A 110 -11.488 1.823 -16.426 1.00 62.24 C ATOM 1716 O CYS A 110 -12.568 2.342 -16.704 1.00 74.30 O ATOM 1717 CB CYS A 110 -10.109 1.149 -18.402 1.00 43.42 C ATOM 1718 SG CYS A 110 -10.724 0.648 -20.042 1.00 11.01 S ATOM 0 H CYS A 110 -12.399 0.081 -18.649 1.00 62.43 H new ATOM 0 HA CYS A 110 -10.335 0.028 -16.584 1.00 15.13 H new ATOM 0 HB2 CYS A 110 -10.065 2.237 -18.359 1.00 43.42 H new ATOM 0 HB3 CYS A 110 -9.089 0.784 -18.281 1.00 43.42 H new ATOM 1723 N GLU A 111 -10.719 2.241 -15.426 1.00 21.02 N ATOM 1724 CA GLU A 111 -11.112 3.360 -14.577 1.00 70.14 C ATOM 1725 C GLU A 111 -9.910 3.918 -13.821 1.00 63.12 C ATOM 1726 O GLU A 111 -8.798 3.403 -13.934 1.00 51.10 O ATOM 1727 CB GLU A 111 -12.193 2.922 -13.587 1.00 11.41 C ATOM 1728 CG GLU A 111 -13.263 3.975 -13.350 1.00 33.20 C ATOM 1729 CD GLU A 111 -13.245 4.517 -11.934 1.00 30.11 C ATOM 1730 OE1 GLU A 111 -12.252 5.179 -11.566 1.00 31.04 O ATOM 1731 OE2 GLU A 111 -14.223 4.279 -11.194 1.00 45.13 O ATOM 0 H GLU A 111 -9.821 1.822 -15.184 1.00 21.02 H new ATOM 0 HA GLU A 111 -11.513 4.146 -15.217 1.00 70.14 H new ATOM 0 HB2 GLU A 111 -12.666 2.012 -13.957 1.00 11.41 H new ATOM 0 HB3 GLU A 111 -11.723 2.673 -12.636 1.00 11.41 H new ATOM 0 HG2 GLU A 111 -13.120 4.797 -14.051 1.00 33.20 H new ATOM 0 HG3 GLU A 111 -14.243 3.545 -13.558 1.00 33.20 H new ATOM 1738 N GLY A 112 -10.142 4.976 -13.050 1.00 20.21 N ATOM 1739 CA GLY A 112 -9.070 5.587 -12.287 1.00 4.32 C ATOM 1740 C GLY A 112 -8.124 6.391 -13.157 1.00 54.51 C ATOM 1741 O GLY A 112 -8.485 6.807 -14.258 1.00 53.11 O ATOM 0 H GLY A 112 -11.053 5.421 -12.940 1.00 20.21 H new ATOM 0 HA2 GLY A 112 -9.497 6.237 -11.523 1.00 4.32 H new ATOM 0 HA3 GLY A 112 -8.509 4.810 -11.768 1.00 4.32 H new ATOM 1745 N SER A 113 -6.911 6.613 -12.662 1.00 42.02 N ATOM 1746 CA SER A 113 -5.912 7.378 -13.400 1.00 73.21 C ATOM 1747 C SER A 113 -4.516 6.804 -13.179 1.00 0.23 C ATOM 1748 O SER A 113 -4.054 6.645 -12.048 1.00 74.15 O ATOM 1749 CB SER A 113 -5.946 8.847 -12.973 1.00 72.52 C ATOM 1750 OG SER A 113 -6.386 9.676 -14.035 1.00 0.14 O ATOM 0 H SER A 113 -6.596 6.274 -11.753 1.00 42.02 H new ATOM 0 HA SER A 113 -6.150 7.310 -14.462 1.00 73.21 H new ATOM 0 HB2 SER A 113 -6.610 8.965 -12.116 1.00 72.52 H new ATOM 0 HB3 SER A 113 -4.952 9.159 -12.652 1.00 72.52 H new ATOM 0 HG SER A 113 -6.401 10.609 -13.737 1.00 0.14 H new ATOM 1756 N PRO A 114 -3.826 6.486 -14.284 1.00 20.20 N ATOM 1757 CA PRO A 114 -4.365 6.670 -15.635 1.00 14.35 C ATOM 1758 C PRO A 114 -5.499 5.698 -15.944 1.00 0.42 C ATOM 1759 O PRO A 114 -5.887 4.893 -15.098 1.00 20.44 O ATOM 1760 CB PRO A 114 -3.162 6.393 -16.538 1.00 65.33 C ATOM 1761 CG PRO A 114 -2.280 5.502 -15.733 1.00 35.45 C ATOM 1762 CD PRO A 114 -2.466 5.921 -14.300 1.00 73.44 C ATOM 0 HA PRO A 114 -4.796 7.662 -15.770 1.00 14.35 H new ATOM 0 HB2 PRO A 114 -3.467 5.913 -17.468 1.00 65.33 H new ATOM 0 HB3 PRO A 114 -2.650 7.316 -16.809 1.00 65.33 H new ATOM 0 HG2 PRO A 114 -2.551 4.455 -15.872 1.00 35.45 H new ATOM 0 HG3 PRO A 114 -1.239 5.605 -16.038 1.00 35.45 H new ATOM 0 HD2 PRO A 114 -2.374 5.075 -13.619 1.00 73.44 H new ATOM 0 HD3 PRO A 114 -1.721 6.657 -13.997 1.00 73.44 H new ATOM 1770 N TYR A 115 -6.026 5.779 -17.160 1.00 41.44 N ATOM 1771 CA TYR A 115 -7.117 4.908 -17.580 1.00 63.14 C ATOM 1772 C TYR A 115 -6.601 3.511 -17.911 1.00 72.44 C ATOM 1773 O TYR A 115 -6.035 3.282 -18.980 1.00 60.14 O ATOM 1774 CB TYR A 115 -7.832 5.501 -18.796 1.00 31.34 C ATOM 1775 CG TYR A 115 -9.335 5.563 -18.642 1.00 50.34 C ATOM 1776 CD1 TYR A 115 -9.915 5.917 -17.430 1.00 72.23 C ATOM 1777 CD2 TYR A 115 -10.175 5.268 -19.709 1.00 42.11 C ATOM 1778 CE1 TYR A 115 -11.288 5.975 -17.285 1.00 61.33 C ATOM 1779 CE2 TYR A 115 -11.548 5.325 -19.574 1.00 34.23 C ATOM 1780 CZ TYR A 115 -12.100 5.678 -18.360 1.00 11.30 C ATOM 1781 OH TYR A 115 -13.468 5.735 -18.221 1.00 20.43 O ATOM 0 H TYR A 115 -5.715 6.439 -17.873 1.00 41.44 H new ATOM 0 HA TYR A 115 -7.824 4.829 -16.754 1.00 63.14 H new ATOM 0 HB2 TYR A 115 -7.452 6.506 -18.976 1.00 31.34 H new ATOM 0 HB3 TYR A 115 -7.589 4.906 -19.676 1.00 31.34 H new ATOM 0 HD1 TYR A 115 -9.282 6.151 -16.587 1.00 72.23 H new ATOM 0 HD2 TYR A 115 -9.746 4.989 -20.660 1.00 42.11 H new ATOM 0 HE1 TYR A 115 -11.723 6.251 -16.336 1.00 61.33 H new ATOM 0 HE2 TYR A 115 -12.186 5.094 -20.414 1.00 34.23 H new ATOM 0 HH TYR A 115 -13.893 5.514 -19.076 1.00 20.43 H new ATOM 1791 N VAL A 116 -6.802 2.578 -16.986 1.00 12.14 N ATOM 1792 CA VAL A 116 -6.360 1.202 -17.178 1.00 11.11 C ATOM 1793 C VAL A 116 -7.447 0.214 -16.769 1.00 64.35 C ATOM 1794 O VAL A 116 -8.309 0.508 -15.942 1.00 55.31 O ATOM 1795 CB VAL A 116 -5.082 0.905 -16.371 1.00 40.33 C ATOM 1796 CG1 VAL A 116 -4.188 2.134 -16.316 1.00 45.44 C ATOM 1797 CG2 VAL A 116 -5.435 0.430 -14.970 1.00 71.21 C ATOM 0 H VAL A 116 -7.269 2.750 -16.095 1.00 12.14 H new ATOM 0 HA VAL A 116 -6.146 1.084 -18.240 1.00 11.11 H new ATOM 0 HB VAL A 116 -4.533 0.108 -16.873 1.00 40.33 H new ATOM 0 HG11 VAL A 116 -3.290 1.905 -15.742 1.00 45.44 H new ATOM 0 HG12 VAL A 116 -3.907 2.425 -17.328 1.00 45.44 H new ATOM 0 HG13 VAL A 116 -4.725 2.954 -15.838 1.00 45.44 H new ATOM 0 HG21 VAL A 116 -4.520 0.225 -14.414 1.00 71.21 H new ATOM 0 HG22 VAL A 116 -6.006 1.204 -14.457 1.00 71.21 H new ATOM 0 HG23 VAL A 116 -6.032 -0.479 -15.034 1.00 71.21 H new ATOM 1807 N PRO A 117 -7.406 -0.989 -17.362 1.00 45.11 N ATOM 1808 CA PRO A 117 -8.379 -2.047 -17.075 1.00 2.33 C ATOM 1809 C PRO A 117 -8.212 -2.623 -15.673 1.00 3.11 C ATOM 1810 O PRO A 117 -7.197 -3.248 -15.365 1.00 30.24 O ATOM 1811 CB PRO A 117 -8.069 -3.111 -18.131 1.00 4.43 C ATOM 1812 CG PRO A 117 -6.638 -2.889 -18.483 1.00 31.14 C ATOM 1813 CD PRO A 117 -6.405 -1.409 -18.358 1.00 13.20 C ATOM 0 HA PRO A 117 -9.404 -1.678 -17.110 1.00 2.33 H new ATOM 0 HB2 PRO A 117 -8.229 -4.116 -17.740 1.00 4.43 H new ATOM 0 HB3 PRO A 117 -8.713 -3.002 -19.004 1.00 4.43 H new ATOM 0 HG2 PRO A 117 -5.981 -3.445 -17.814 1.00 31.14 H new ATOM 0 HG3 PRO A 117 -6.427 -3.233 -19.496 1.00 31.14 H new ATOM 0 HD2 PRO A 117 -5.391 -1.189 -18.026 1.00 13.20 H new ATOM 0 HD3 PRO A 117 -6.547 -0.898 -19.310 1.00 13.20 H new ATOM 1821 N VAL A 118 -9.214 -2.409 -14.827 1.00 12.24 N ATOM 1822 CA VAL A 118 -9.179 -2.909 -13.457 1.00 42.43 C ATOM 1823 C VAL A 118 -10.231 -3.991 -13.240 1.00 4.52 C ATOM 1824 O VAL A 118 -10.566 -4.326 -12.103 1.00 60.14 O ATOM 1825 CB VAL A 118 -9.406 -1.775 -12.440 1.00 14.20 C ATOM 1826 CG1 VAL A 118 -8.418 -0.642 -12.672 1.00 61.32 C ATOM 1827 CG2 VAL A 118 -10.839 -1.268 -12.519 1.00 64.11 C ATOM 0 H VAL A 118 -10.061 -1.893 -15.066 1.00 12.24 H new ATOM 0 HA VAL A 118 -8.188 -3.334 -13.300 1.00 42.43 H new ATOM 0 HB VAL A 118 -9.239 -2.171 -11.438 1.00 14.20 H new ATOM 0 HG11 VAL A 118 -8.594 0.150 -11.944 1.00 61.32 H new ATOM 0 HG12 VAL A 118 -7.401 -1.018 -12.560 1.00 61.32 H new ATOM 0 HG13 VAL A 118 -8.550 -0.245 -13.678 1.00 61.32 H new ATOM 0 HG21 VAL A 118 -10.982 -0.467 -11.794 1.00 64.11 H new ATOM 0 HG22 VAL A 118 -11.036 -0.889 -13.522 1.00 64.11 H new ATOM 0 HG23 VAL A 118 -11.527 -2.084 -12.298 1.00 64.11 H new ATOM 1837 N HIS A 119 -10.748 -4.534 -14.337 1.00 31.20 N ATOM 1838 CA HIS A 119 -11.762 -5.580 -14.267 1.00 31.34 C ATOM 1839 C HIS A 119 -11.968 -6.230 -15.631 1.00 63.45 C ATOM 1840 O HIS A 119 -11.757 -5.601 -16.668 1.00 51.23 O ATOM 1841 CB HIS A 119 -13.084 -5.005 -13.758 1.00 54.25 C ATOM 1842 CG HIS A 119 -14.289 -5.588 -14.431 1.00 11.22 C ATOM 1843 ND1 HIS A 119 -15.320 -6.188 -13.739 1.00 61.45 N ATOM 1844 CD2 HIS A 119 -14.625 -5.658 -15.740 1.00 61.12 C ATOM 1845 CE1 HIS A 119 -16.237 -6.605 -14.595 1.00 1.44 C ATOM 1846 NE2 HIS A 119 -15.839 -6.295 -15.815 1.00 54.44 N ATOM 0 H HIS A 119 -10.482 -4.267 -15.285 1.00 31.20 H new ATOM 0 HA HIS A 119 -11.414 -6.343 -13.570 1.00 31.34 H new ATOM 0 HB2 HIS A 119 -13.157 -5.180 -12.685 1.00 54.25 H new ATOM 0 HB3 HIS A 119 -13.082 -3.925 -13.906 1.00 54.25 H new ATOM 0 HD2 HIS A 119 -14.046 -5.283 -16.571 1.00 61.12 H new ATOM 0 HE1 HIS A 119 -17.155 -7.113 -14.340 1.00 1.44 H new ATOM 0 HE2 HIS A 119 -16.351 -6.496 -16.674 1.00 54.44 H new ATOM 1854 N PHE A 120 -12.379 -7.494 -15.624 1.00 13.13 N ATOM 1855 CA PHE A 120 -12.611 -8.230 -16.861 1.00 15.00 C ATOM 1856 C PHE A 120 -14.075 -8.645 -16.981 1.00 11.53 C ATOM 1857 O PHE A 120 -14.678 -9.118 -16.017 1.00 52.43 O ATOM 1858 CB PHE A 120 -11.713 -9.467 -16.920 1.00 2.03 C ATOM 1859 CG PHE A 120 -11.217 -9.782 -18.302 1.00 25.32 C ATOM 1860 CD1 PHE A 120 -12.075 -10.299 -19.259 1.00 65.40 C ATOM 1861 CD2 PHE A 120 -9.892 -9.561 -18.644 1.00 32.21 C ATOM 1862 CE1 PHE A 120 -11.620 -10.591 -20.531 1.00 71.12 C ATOM 1863 CE2 PHE A 120 -9.432 -9.851 -19.915 1.00 11.42 C ATOM 1864 CZ PHE A 120 -10.298 -10.365 -20.860 1.00 23.31 C ATOM 0 H PHE A 120 -12.558 -8.030 -14.775 1.00 13.13 H new ATOM 0 HA PHE A 120 -12.368 -7.573 -17.696 1.00 15.00 H new ATOM 0 HB2 PHE A 120 -10.858 -9.317 -16.261 1.00 2.03 H new ATOM 0 HB3 PHE A 120 -12.265 -10.325 -16.536 1.00 2.03 H new ATOM 0 HD1 PHE A 120 -13.111 -10.476 -19.008 1.00 65.40 H new ATOM 0 HD2 PHE A 120 -9.211 -9.158 -17.909 1.00 32.21 H new ATOM 0 HE1 PHE A 120 -12.298 -10.996 -21.268 1.00 71.12 H new ATOM 0 HE2 PHE A 120 -8.397 -9.676 -20.169 1.00 11.42 H new ATOM 0 HZ PHE A 120 -9.942 -10.590 -21.855 1.00 23.31 H new ATOM 1874 N ASP A 121 -14.640 -8.463 -18.169 1.00 44.14 N ATOM 1875 CA ASP A 121 -16.032 -8.818 -18.417 1.00 32.13 C ATOM 1876 C ASP A 121 -16.134 -10.186 -19.085 1.00 2.14 C ATOM 1877 O ASP A 121 -16.486 -11.176 -18.444 1.00 13.40 O ATOM 1878 CB ASP A 121 -16.703 -7.758 -19.292 1.00 34.32 C ATOM 1879 CG ASP A 121 -18.031 -7.295 -18.724 1.00 45.33 C ATOM 1880 OD1 ASP A 121 -18.761 -8.136 -18.160 1.00 12.12 O ATOM 1881 OD2 ASP A 121 -18.338 -6.090 -18.844 1.00 32.52 O ATOM 0 H ASP A 121 -14.155 -8.071 -18.976 1.00 44.14 H new ATOM 0 HA ASP A 121 -16.546 -8.864 -17.457 1.00 32.13 H new ATOM 0 HB2 ASP A 121 -16.037 -6.901 -19.395 1.00 34.32 H new ATOM 0 HB3 ASP A 121 -16.860 -8.162 -20.292 1.00 34.32 H new ATOM 1886 N ALA A 122 -15.823 -10.233 -20.376 1.00 55.40 N ATOM 1887 CA ALA A 122 -15.879 -11.479 -21.130 1.00 41.43 C ATOM 1888 C ALA A 122 -15.287 -11.303 -22.525 1.00 24.25 C ATOM 1889 O ALA A 122 -15.310 -10.208 -23.086 1.00 74.01 O ATOM 1890 CB ALA A 122 -17.314 -11.976 -21.223 1.00 62.02 C ATOM 0 H ALA A 122 -15.530 -9.423 -20.921 1.00 55.40 H new ATOM 0 HA ALA A 122 -15.282 -12.222 -20.601 1.00 41.43 H new ATOM 0 HB1 ALA A 122 -17.341 -12.907 -21.789 1.00 62.02 H new ATOM 0 HB2 ALA A 122 -17.705 -12.149 -20.220 1.00 62.02 H new ATOM 0 HB3 ALA A 122 -17.926 -11.228 -21.727 1.00 62.02 H new ATOM 1896 N SER A 123 -14.755 -12.389 -23.078 1.00 1.35 N ATOM 1897 CA SER A 123 -14.152 -12.353 -24.405 1.00 30.22 C ATOM 1898 C SER A 123 -15.226 -12.325 -25.489 1.00 5.15 C ATOM 1899 O SER A 123 -16.327 -12.842 -25.301 1.00 61.14 O ATOM 1900 CB SER A 123 -13.240 -13.565 -24.606 1.00 42.32 C ATOM 1901 OG SER A 123 -13.952 -14.776 -24.420 1.00 43.21 O ATOM 0 H SER A 123 -14.730 -13.304 -22.628 1.00 1.35 H new ATOM 0 HA SER A 123 -13.558 -11.443 -24.483 1.00 30.22 H new ATOM 0 HB2 SER A 123 -12.814 -13.541 -25.609 1.00 42.32 H new ATOM 0 HB3 SER A 123 -12.407 -13.518 -23.904 1.00 42.32 H new ATOM 0 HG SER A 123 -13.347 -15.535 -24.556 1.00 43.21 H new ATOM 1907 N VAL A 124 -14.896 -11.716 -26.623 1.00 61.34 N ATOM 1908 CA VAL A 124 -15.830 -11.620 -27.739 1.00 30.42 C ATOM 1909 C VAL A 124 -15.543 -12.687 -28.790 1.00 5.14 C ATOM 1910 O VAL A 124 -14.579 -13.443 -28.673 1.00 2.14 O ATOM 1911 CB VAL A 124 -15.771 -10.232 -28.403 1.00 3.12 C ATOM 1912 CG1 VAL A 124 -17.118 -9.873 -29.011 1.00 43.05 C ATOM 1913 CG2 VAL A 124 -15.334 -9.179 -27.396 1.00 44.41 C ATOM 0 H VAL A 124 -13.989 -11.282 -26.794 1.00 61.34 H new ATOM 0 HA VAL A 124 -16.828 -11.776 -27.330 1.00 30.42 H new ATOM 0 HB VAL A 124 -15.034 -10.263 -29.206 1.00 3.12 H new ATOM 0 HG11 VAL A 124 -17.057 -8.889 -29.476 1.00 43.05 H new ATOM 0 HG12 VAL A 124 -17.386 -10.614 -29.764 1.00 43.05 H new ATOM 0 HG13 VAL A 124 -17.878 -9.859 -28.230 1.00 43.05 H new ATOM 0 HG21 VAL A 124 -15.298 -8.204 -27.882 1.00 44.41 H new ATOM 0 HG22 VAL A 124 -16.046 -9.147 -26.571 1.00 44.41 H new ATOM 0 HG23 VAL A 124 -14.345 -9.430 -27.013 1.00 44.41 H new ATOM 1923 N GLU A 125 -16.385 -12.741 -29.816 1.00 55.12 N ATOM 1924 CA GLU A 125 -16.221 -13.716 -30.888 1.00 52.31 C ATOM 1925 C GLU A 125 -15.515 -13.091 -32.088 1.00 70.20 C ATOM 1926 O GLU A 125 -14.385 -13.455 -32.415 1.00 54.14 O ATOM 1927 CB GLU A 125 -17.581 -14.271 -31.315 1.00 75.22 C ATOM 1928 CG GLU A 125 -17.546 -15.742 -31.695 1.00 53.12 C ATOM 1929 CD GLU A 125 -18.931 -16.326 -31.896 1.00 52.23 C ATOM 1930 OE1 GLU A 125 -19.449 -16.249 -33.030 1.00 14.43 O ATOM 1931 OE2 GLU A 125 -19.496 -16.860 -30.919 1.00 74.43 O ATOM 0 H GLU A 125 -17.188 -12.122 -29.928 1.00 55.12 H new ATOM 0 HA GLU A 125 -15.606 -14.533 -30.511 1.00 52.31 H new ATOM 0 HB2 GLU A 125 -18.293 -14.131 -30.501 1.00 75.22 H new ATOM 0 HB3 GLU A 125 -17.949 -13.694 -32.163 1.00 75.22 H new ATOM 0 HG2 GLU A 125 -16.968 -15.863 -32.611 1.00 53.12 H new ATOM 0 HG3 GLU A 125 -17.029 -16.302 -30.916 1.00 53.12 H new