USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 885 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 113 CYS SG : rot 180:sc= 0.587 USER MOD Set 1.2: A 115 SER OG : rot -90:sc= 0.648 USER MOD Set 2.1: A 94 GLN :FLIP amide:sc= -0.871 F(o=-2,f=-1.3) USER MOD Set 2.2: A 95 LYS NZ :NH3+ -144:sc= -0.407 (180deg=-1.05) USER MOD Set 3.1: A 64 HIS : no HD1:sc= -0.154 K(o=0.36,f=-1.5!) USER MOD Set 3.2: A 67 SER OG : rot -120:sc= 0.509 USER MOD Set 4.1: A 59 HIS : no HD1:sc= -6.59! C(o=-16!,f=-18!) USER MOD Set 4.2: A 131 GLN : amide:sc= -3.36! C(o=-16!,f=-18!) USER MOD Set 4.3: A 152 THR OG1 : rot 100:sc= 0.0639 USER MOD Set 4.4: A 154 SER OG : rot 160:sc= 1.47 USER MOD Set 4.5: A 157 HIS : no HE2:sc= -7.38! C(o=-16!,f=-26!) USER MOD Set 5.1: A 58 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 162 THR OG1 : rot -160:sc= -0.562 USER MOD Set 6.1: A 57 CYS SG : rot 7:sc= 0.571 USER MOD Set 6.2: A 138 SER OG : rot -80:sc= -2.73! USER MOD Single : A 63 LYS NZ :NH3+ -141:sc= -2.1 (180deg=-4!) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0119 USER MOD Single : A 66 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.068) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 126:sc= 1.14 USER MOD Single : A 75 GLN : amide:sc= -0.341 K(o=-0.34,f=-2.5!) USER MOD Single : A 77 LYS NZ :NH3+ 162:sc= 0.185 (180deg=0.101) USER MOD Single : A 79 THR OG1 : rot -57:sc= 1.17 USER MOD Single : A 81 THR OG1 : rot -137:sc= 0.326 USER MOD Single : A 82 LYS NZ :NH3+ 166:sc=-0.00314 (180deg=-0.122) USER MOD Single : A 90 ASN : amide:sc= -0.278 X(o=-0.28,f=-0.0064) USER MOD Single : A 92 TYR OH : rot -63:sc= 0.633 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot -61:sc= 0.11 USER MOD Single : A 105 SER OG : rot -144:sc= 0.891 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 150:sc= -1.09 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.369) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 GLN :FLIP amide:sc= -0.229 F(o=-0.74,f=-0.23) USER MOD Single : A 130 MET CE :methyl 145:sc= -0.0822 (180deg=-0.625) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 MET CE :methyl -130:sc= -4.65! (180deg=-8.96!) USER MOD Single : A 147 SER OG : rot 100:sc= -1.05 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 50 34.991 5.124 9.513 1.00 0.00 N ATOM 2 CA GLY A 50 36.162 5.227 8.600 1.00 0.00 C ATOM 3 C GLY A 50 35.838 4.783 7.186 1.00 0.00 C ATOM 4 O GLY A 50 36.514 3.920 6.630 1.00 0.00 O ATOM 0 HA2 GLY A 50 36.514 6.258 8.582 1.00 0.00 H new ATOM 0 HA3 GLY A 50 36.978 4.618 8.990 1.00 0.00 H new ATOM 10 N GLU A 51 34.800 5.378 6.604 1.00 0.00 N ATOM 11 CA GLU A 51 34.391 5.039 5.244 1.00 0.00 C ATOM 12 C GLU A 51 33.996 3.565 5.148 1.00 0.00 C ATOM 13 O GLU A 51 34.254 2.786 6.064 1.00 0.00 O ATOM 14 CB GLU A 51 35.523 5.348 4.261 1.00 0.00 C ATOM 15 CG GLU A 51 35.339 6.662 3.515 1.00 0.00 C ATOM 16 CD GLU A 51 35.045 7.825 4.441 1.00 0.00 C ATOM 17 OE1 GLU A 51 36.004 8.383 5.015 1.00 0.00 O ATOM 18 OE2 GLU A 51 33.857 8.178 4.593 1.00 0.00 O ATOM 0 H GLU A 51 34.229 6.095 7.051 1.00 0.00 H new ATOM 0 HA GLU A 51 33.522 5.644 4.985 1.00 0.00 H new ATOM 0 HB2 GLU A 51 36.467 5.377 4.805 1.00 0.00 H new ATOM 0 HB3 GLU A 51 35.597 4.536 3.538 1.00 0.00 H new ATOM 0 HG2 GLU A 51 36.240 6.879 2.942 1.00 0.00 H new ATOM 0 HG3 GLU A 51 34.523 6.558 2.800 1.00 0.00 H new ATOM 25 N PRO A 52 33.360 3.162 4.031 1.00 0.00 N ATOM 26 CA PRO A 52 32.929 1.774 3.823 1.00 0.00 C ATOM 27 C PRO A 52 34.076 0.782 3.985 1.00 0.00 C ATOM 28 O PRO A 52 35.144 1.124 4.492 1.00 0.00 O ATOM 29 CB PRO A 52 32.412 1.761 2.376 1.00 0.00 C ATOM 30 CG PRO A 52 32.911 3.026 1.763 1.00 0.00 C ATOM 31 CD PRO A 52 33.007 4.015 2.887 1.00 0.00 C ATOM 0 HA PRO A 52 32.180 1.472 4.555 1.00 0.00 H new ATOM 0 HB2 PRO A 52 32.782 0.890 1.835 1.00 0.00 H new ATOM 0 HB3 PRO A 52 31.323 1.714 2.349 1.00 0.00 H new ATOM 0 HG2 PRO A 52 33.882 2.875 1.291 1.00 0.00 H new ATOM 0 HG3 PRO A 52 32.231 3.380 0.988 1.00 0.00 H new ATOM 0 HD2 PRO A 52 33.766 4.773 2.697 1.00 0.00 H new ATOM 0 HD3 PRO A 52 32.065 4.540 3.047 1.00 0.00 H new ATOM 39 N ALA A 53 33.847 -0.452 3.547 1.00 0.00 N ATOM 40 CA ALA A 53 34.860 -1.497 3.640 1.00 0.00 C ATOM 41 C ALA A 53 35.823 -1.460 2.453 1.00 0.00 C ATOM 42 O ALA A 53 36.602 -2.390 2.250 1.00 0.00 O ATOM 43 CB ALA A 53 34.194 -2.862 3.736 1.00 0.00 C ATOM 0 H ALA A 53 32.969 -0.753 3.124 1.00 0.00 H new ATOM 0 HA ALA A 53 35.444 -1.316 4.543 1.00 0.00 H new ATOM 0 HB1 ALA A 53 34.959 -3.636 3.805 1.00 0.00 H new ATOM 0 HB2 ALA A 53 33.561 -2.897 4.623 1.00 0.00 H new ATOM 0 HB3 ALA A 53 33.584 -3.033 2.849 1.00 0.00 H new ATOM 49 N ARG A 54 35.765 -0.385 1.670 1.00 0.00 N ATOM 50 CA ARG A 54 36.633 -0.241 0.508 1.00 0.00 C ATOM 51 C ARG A 54 37.017 1.222 0.297 1.00 0.00 C ATOM 52 O ARG A 54 36.181 2.116 0.428 1.00 0.00 O ATOM 53 CB ARG A 54 35.934 -0.784 -0.741 1.00 0.00 C ATOM 54 CG ARG A 54 36.720 -0.577 -2.027 1.00 0.00 C ATOM 55 CD ARG A 54 36.850 -1.871 -2.814 1.00 0.00 C ATOM 56 NE ARG A 54 35.839 -1.973 -3.866 1.00 0.00 N ATOM 57 CZ ARG A 54 35.199 -3.098 -4.182 1.00 0.00 C ATOM 58 NH1 ARG A 54 35.467 -4.232 -3.543 1.00 0.00 N ATOM 59 NH2 ARG A 54 34.288 -3.090 -5.144 1.00 0.00 N ATOM 0 H ARG A 54 35.127 0.396 1.820 1.00 0.00 H new ATOM 0 HA ARG A 54 37.543 -0.814 0.686 1.00 0.00 H new ATOM 0 HB2 ARG A 54 35.749 -1.850 -0.607 1.00 0.00 H new ATOM 0 HB3 ARG A 54 34.961 -0.302 -0.840 1.00 0.00 H new ATOM 0 HG2 ARG A 54 36.224 0.175 -2.641 1.00 0.00 H new ATOM 0 HG3 ARG A 54 37.712 -0.192 -1.791 1.00 0.00 H new ATOM 0 HD2 ARG A 54 37.844 -1.927 -3.259 1.00 0.00 H new ATOM 0 HD3 ARG A 54 36.756 -2.719 -2.136 1.00 0.00 H new ATOM 0 HE ARG A 54 35.609 -1.129 -4.391 1.00 0.00 H new ATOM 0 HH11 ARG A 54 36.169 -4.247 -2.803 1.00 0.00 H new ATOM 0 HH12 ARG A 54 34.971 -5.088 -3.793 1.00 0.00 H new ATOM 0 HH21 ARG A 54 34.078 -2.224 -5.641 1.00 0.00 H new ATOM 0 HH22 ARG A 54 33.796 -3.950 -5.388 1.00 0.00 H new ATOM 73 N VAL A 55 38.284 1.461 -0.025 1.00 0.00 N ATOM 74 CA VAL A 55 38.769 2.818 -0.249 1.00 0.00 C ATOM 75 C VAL A 55 39.944 2.832 -1.222 1.00 0.00 C ATOM 76 O VAL A 55 40.485 1.783 -1.571 1.00 0.00 O ATOM 77 CB VAL A 55 39.191 3.482 1.078 1.00 0.00 C ATOM 78 CG1 VAL A 55 38.027 3.492 2.058 1.00 0.00 C ATOM 79 CG2 VAL A 55 40.395 2.772 1.681 1.00 0.00 C ATOM 0 H VAL A 55 38.992 0.735 -0.136 1.00 0.00 H new ATOM 0 HA VAL A 55 37.946 3.386 -0.684 1.00 0.00 H new ATOM 0 HB VAL A 55 39.478 4.513 0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 55 38.340 3.964 2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 55 37.195 4.051 1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 55 37.711 2.468 2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 55 40.674 3.258 2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 55 40.143 1.730 1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 55 41.232 2.819 0.984 1.00 0.00 H new ATOM 89 N ARG A 56 40.335 4.028 -1.658 1.00 0.00 N ATOM 90 CA ARG A 56 41.445 4.178 -2.592 1.00 0.00 C ATOM 91 C ARG A 56 42.639 4.827 -1.904 1.00 0.00 C ATOM 92 O ARG A 56 42.485 5.804 -1.170 1.00 0.00 O ATOM 93 CB ARG A 56 41.016 5.018 -3.796 1.00 0.00 C ATOM 94 CG ARG A 56 41.917 4.851 -5.011 1.00 0.00 C ATOM 95 CD ARG A 56 42.302 6.193 -5.610 1.00 0.00 C ATOM 96 NE ARG A 56 42.564 6.103 -7.045 1.00 0.00 N ATOM 97 CZ ARG A 56 42.678 7.162 -7.845 1.00 0.00 C ATOM 98 NH1 ARG A 56 42.551 8.389 -7.355 1.00 0.00 N ATOM 99 NH2 ARG A 56 42.919 6.993 -9.137 1.00 0.00 N ATOM 0 H ARG A 56 39.898 4.906 -1.378 1.00 0.00 H new ATOM 0 HA ARG A 56 41.738 3.187 -2.938 1.00 0.00 H new ATOM 0 HB2 ARG A 56 39.996 4.748 -4.071 1.00 0.00 H new ATOM 0 HB3 ARG A 56 41.001 6.069 -3.508 1.00 0.00 H new ATOM 0 HG2 ARG A 56 42.818 4.308 -4.725 1.00 0.00 H new ATOM 0 HG3 ARG A 56 41.407 4.249 -5.763 1.00 0.00 H new ATOM 0 HD2 ARG A 56 41.501 6.911 -5.433 1.00 0.00 H new ATOM 0 HD3 ARG A 56 43.189 6.574 -5.104 1.00 0.00 H new ATOM 0 HE ARG A 56 42.665 5.176 -7.458 1.00 0.00 H new ATOM 0 HH11 ARG A 56 42.365 8.525 -6.361 1.00 0.00 H new ATOM 0 HH12 ARG A 56 42.639 9.196 -7.972 1.00 0.00 H new ATOM 0 HH21 ARG A 56 43.017 6.052 -9.519 1.00 0.00 H new ATOM 0 HH22 ARG A 56 43.006 7.804 -9.750 1.00 0.00 H new ATOM 113 N CYS A 57 43.826 4.281 -2.138 1.00 0.00 N ATOM 114 CA CYS A 57 45.035 4.815 -1.526 1.00 0.00 C ATOM 115 C CYS A 57 46.260 4.569 -2.398 1.00 0.00 C ATOM 116 O CYS A 57 46.330 3.584 -3.134 1.00 0.00 O ATOM 117 CB CYS A 57 45.257 4.179 -0.154 1.00 0.00 C ATOM 118 SG CYS A 57 44.013 4.631 1.078 1.00 0.00 S ATOM 0 H CYS A 57 43.977 3.474 -2.743 1.00 0.00 H new ATOM 0 HA CYS A 57 44.899 5.891 -1.418 1.00 0.00 H new ATOM 0 HB2 CYS A 57 45.266 3.095 -0.265 1.00 0.00 H new ATOM 0 HB3 CYS A 57 46.241 4.470 0.215 1.00 0.00 H new ATOM 0 HG CYS A 57 43.069 5.320 0.509 1.00 0.00 H new ATOM 124 N SER A 58 47.235 5.460 -2.284 1.00 0.00 N ATOM 125 CA SER A 58 48.480 5.344 -3.030 1.00 0.00 C ATOM 126 C SER A 58 49.627 5.124 -2.054 1.00 0.00 C ATOM 127 O SER A 58 49.524 5.494 -0.887 1.00 0.00 O ATOM 128 CB SER A 58 48.729 6.600 -3.865 1.00 0.00 C ATOM 129 OG SER A 58 47.519 7.296 -4.114 1.00 0.00 O ATOM 0 H SER A 58 47.186 6.278 -1.676 1.00 0.00 H new ATOM 0 HA SER A 58 48.411 4.496 -3.711 1.00 0.00 H new ATOM 0 HB2 SER A 58 49.428 7.254 -3.344 1.00 0.00 H new ATOM 0 HB3 SER A 58 49.195 6.325 -4.811 1.00 0.00 H new ATOM 0 HG SER A 58 47.706 8.096 -4.648 1.00 0.00 H new ATOM 135 N HIS A 59 50.712 4.514 -2.517 1.00 0.00 N ATOM 136 CA HIS A 59 51.847 4.254 -1.639 1.00 0.00 C ATOM 137 C HIS A 59 53.131 3.997 -2.421 1.00 0.00 C ATOM 138 O HIS A 59 53.096 3.557 -3.570 1.00 0.00 O ATOM 139 CB HIS A 59 51.539 3.047 -0.740 1.00 0.00 C ATOM 140 CG HIS A 59 51.819 1.723 -1.389 1.00 0.00 C ATOM 141 ND1 HIS A 59 52.541 0.725 -0.773 1.00 0.00 N ATOM 142 CD2 HIS A 59 51.487 1.244 -2.612 1.00 0.00 C ATOM 143 CE1 HIS A 59 52.647 -0.310 -1.588 1.00 0.00 C ATOM 144 NE2 HIS A 59 52.014 -0.022 -2.710 1.00 0.00 N ATOM 0 H HIS A 59 50.830 4.195 -3.479 1.00 0.00 H new ATOM 0 HA HIS A 59 52.004 5.145 -1.031 1.00 0.00 H new ATOM 0 HB2 HIS A 59 52.129 3.126 0.173 1.00 0.00 H new ATOM 0 HB3 HIS A 59 50.490 3.083 -0.446 1.00 0.00 H new ATOM 0 HD2 HIS A 59 50.915 1.760 -3.369 1.00 0.00 H new ATOM 0 HE1 HIS A 59 53.163 -1.234 -1.373 1.00 0.00 H new ATOM 0 HE2 HIS A 59 51.930 -0.638 -3.518 1.00 0.00 H new ATOM 153 N LEU A 60 54.267 4.239 -1.770 1.00 0.00 N ATOM 154 CA LEU A 60 55.563 3.992 -2.390 1.00 0.00 C ATOM 155 C LEU A 60 56.448 3.173 -1.459 1.00 0.00 C ATOM 156 O LEU A 60 56.461 3.393 -0.244 1.00 0.00 O ATOM 157 CB LEU A 60 56.281 5.286 -2.790 1.00 0.00 C ATOM 158 CG LEU A 60 56.240 6.444 -1.790 1.00 0.00 C ATOM 159 CD1 LEU A 60 54.868 7.083 -1.779 1.00 0.00 C ATOM 160 CD2 LEU A 60 56.634 5.980 -0.400 1.00 0.00 C ATOM 0 H LEU A 60 54.315 4.604 -0.819 1.00 0.00 H new ATOM 0 HA LEU A 60 55.374 3.431 -3.305 1.00 0.00 H new ATOM 0 HB2 LEU A 60 57.326 5.046 -2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 60 55.851 5.635 -3.729 1.00 0.00 H new ATOM 0 HG LEU A 60 56.966 7.193 -2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 60 54.855 7.905 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 60 54.636 7.465 -2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 60 54.123 6.341 -1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 60 56.596 6.823 0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 60 55.943 5.206 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 60 57.646 5.577 -0.424 1.00 0.00 H new ATOM 172 N LEU A 61 57.179 2.221 -2.024 1.00 0.00 N ATOM 173 CA LEU A 61 58.063 1.384 -1.234 1.00 0.00 C ATOM 174 C LEU A 61 59.484 1.926 -1.289 1.00 0.00 C ATOM 175 O LEU A 61 59.979 2.291 -2.355 1.00 0.00 O ATOM 176 CB LEU A 61 58.041 -0.056 -1.752 1.00 0.00 C ATOM 177 CG LEU A 61 59.166 -0.960 -1.238 1.00 0.00 C ATOM 178 CD1 LEU A 61 59.351 -0.795 0.265 1.00 0.00 C ATOM 179 CD2 LEU A 61 58.878 -2.413 -1.588 1.00 0.00 C ATOM 0 H LEU A 61 57.175 2.012 -3.022 1.00 0.00 H new ATOM 0 HA LEU A 61 57.714 1.393 -0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 61 57.085 -0.506 -1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 61 58.086 -0.033 -2.841 1.00 0.00 H new ATOM 0 HG LEU A 61 60.095 -0.663 -1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 61 60.155 -1.447 0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 61 59.604 0.241 0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 61 58.426 -1.061 0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 61 59.686 -3.044 -1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 61 57.938 -2.719 -1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 61 58.804 -2.519 -2.670 1.00 0.00 H new ATOM 191 N VAL A 62 60.140 1.966 -0.143 1.00 0.00 N ATOM 192 CA VAL A 62 61.506 2.451 -0.070 1.00 0.00 C ATOM 193 C VAL A 62 62.323 1.595 0.887 1.00 0.00 C ATOM 194 O VAL A 62 62.446 1.905 2.071 1.00 0.00 O ATOM 195 CB VAL A 62 61.564 3.928 0.358 1.00 0.00 C ATOM 196 CG1 VAL A 62 63.001 4.431 0.363 1.00 0.00 C ATOM 197 CG2 VAL A 62 60.697 4.769 -0.570 1.00 0.00 C ATOM 0 H VAL A 62 59.748 1.668 0.750 1.00 0.00 H new ATOM 0 HA VAL A 62 61.934 2.377 -1.070 1.00 0.00 H new ATOM 0 HB VAL A 62 61.177 4.017 1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 62 63.019 5.477 0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 62 63.591 3.839 1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 62 63.423 4.338 -0.638 1.00 0.00 H new ATOM 0 HG21 VAL A 62 60.742 5.814 -0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 62 61.062 4.676 -1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 62 59.666 4.420 -0.520 1.00 0.00 H new ATOM 207 N LYS A 63 62.871 0.506 0.356 1.00 0.00 N ATOM 208 CA LYS A 63 63.673 -0.413 1.149 1.00 0.00 C ATOM 209 C LYS A 63 64.841 0.308 1.798 1.00 0.00 C ATOM 210 O LYS A 63 64.983 1.524 1.675 1.00 0.00 O ATOM 211 CB LYS A 63 64.185 -1.559 0.275 1.00 0.00 C ATOM 212 CG LYS A 63 63.077 -2.392 -0.347 1.00 0.00 C ATOM 213 CD LYS A 63 62.842 -2.018 -1.802 1.00 0.00 C ATOM 214 CE LYS A 63 62.663 -3.250 -2.675 1.00 0.00 C ATOM 215 NZ LYS A 63 61.518 -4.091 -2.224 1.00 0.00 N ATOM 0 H LYS A 63 62.772 0.240 -0.624 1.00 0.00 H new ATOM 0 HA LYS A 63 63.041 -0.822 1.937 1.00 0.00 H new ATOM 0 HB2 LYS A 63 64.809 -1.148 -0.519 1.00 0.00 H new ATOM 0 HB3 LYS A 63 64.821 -2.208 0.877 1.00 0.00 H new ATOM 0 HG2 LYS A 63 63.335 -3.449 -0.280 1.00 0.00 H new ATOM 0 HG3 LYS A 63 62.156 -2.252 0.218 1.00 0.00 H new ATOM 0 HD2 LYS A 63 61.957 -1.386 -1.877 1.00 0.00 H new ATOM 0 HD3 LYS A 63 63.685 -1.431 -2.168 1.00 0.00 H new ATOM 0 HE2 LYS A 63 62.502 -2.942 -3.708 1.00 0.00 H new ATOM 0 HE3 LYS A 63 63.578 -3.843 -2.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 61.769 -5.096 -2.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 61.300 -3.876 -1.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 60.685 -3.888 -2.813 1.00 0.00 H new ATOM 229 N HIS A 64 65.668 -0.451 2.496 1.00 0.00 N ATOM 230 CA HIS A 64 66.817 0.111 3.174 1.00 0.00 C ATOM 231 C HIS A 64 68.016 -0.849 3.076 1.00 0.00 C ATOM 232 O HIS A 64 68.283 -1.384 2.001 1.00 0.00 O ATOM 233 CB HIS A 64 66.430 0.445 4.624 1.00 0.00 C ATOM 234 CG HIS A 64 65.672 -0.645 5.319 1.00 0.00 C ATOM 235 ND1 HIS A 64 66.289 -1.629 6.058 1.00 0.00 N ATOM 236 CD2 HIS A 64 64.340 -0.901 5.392 1.00 0.00 C ATOM 237 CE1 HIS A 64 65.378 -2.448 6.551 1.00 0.00 C ATOM 238 NE2 HIS A 64 64.187 -2.027 6.163 1.00 0.00 N ATOM 0 H HIS A 64 65.563 -1.460 2.607 1.00 0.00 H new ATOM 0 HA HIS A 64 67.128 1.039 2.694 1.00 0.00 H new ATOM 0 HB2 HIS A 64 67.336 0.662 5.190 1.00 0.00 H new ATOM 0 HB3 HIS A 64 65.827 1.353 4.628 1.00 0.00 H new ATOM 0 HD2 HIS A 64 63.550 -0.327 4.931 1.00 0.00 H new ATOM 0 HE1 HIS A 64 65.573 -3.314 7.166 1.00 0.00 H new ATOM 0 HE2 HIS A 64 63.298 -2.467 6.398 1.00 0.00 H new ATOM 247 N SER A 65 68.751 -1.060 4.169 1.00 0.00 N ATOM 248 CA SER A 65 69.916 -1.942 4.136 1.00 0.00 C ATOM 249 C SER A 65 69.553 -3.385 4.488 1.00 0.00 C ATOM 250 O SER A 65 69.946 -4.318 3.790 1.00 0.00 O ATOM 251 CB SER A 65 70.991 -1.430 5.093 1.00 0.00 C ATOM 252 OG SER A 65 70.489 -1.316 6.414 1.00 0.00 O ATOM 0 H SER A 65 68.563 -0.637 5.078 1.00 0.00 H new ATOM 0 HA SER A 65 70.300 -1.936 3.116 1.00 0.00 H new ATOM 0 HB2 SER A 65 71.844 -2.109 5.083 1.00 0.00 H new ATOM 0 HB3 SER A 65 71.352 -0.459 4.753 1.00 0.00 H new ATOM 0 HG SER A 65 71.198 -0.988 7.006 1.00 0.00 H new ATOM 258 N GLN A 66 68.820 -3.561 5.582 1.00 0.00 N ATOM 259 CA GLN A 66 68.427 -4.892 6.032 1.00 0.00 C ATOM 260 C GLN A 66 67.049 -5.286 5.505 1.00 0.00 C ATOM 261 O GLN A 66 66.326 -6.044 6.151 1.00 0.00 O ATOM 262 CB GLN A 66 68.424 -4.945 7.561 1.00 0.00 C ATOM 263 CG GLN A 66 69.794 -5.220 8.164 1.00 0.00 C ATOM 264 CD GLN A 66 69.814 -6.464 9.031 1.00 0.00 C ATOM 265 OE1 GLN A 66 70.715 -7.294 8.925 1.00 0.00 O ATOM 266 NE2 GLN A 66 68.817 -6.596 9.898 1.00 0.00 N ATOM 0 H GLN A 66 68.486 -2.800 6.173 1.00 0.00 H new ATOM 0 HA GLN A 66 69.154 -5.601 5.636 1.00 0.00 H new ATOM 0 HB2 GLN A 66 68.049 -3.997 7.948 1.00 0.00 H new ATOM 0 HB3 GLN A 66 67.730 -5.720 7.888 1.00 0.00 H new ATOM 0 HG2 GLN A 66 70.524 -5.330 7.362 1.00 0.00 H new ATOM 0 HG3 GLN A 66 70.103 -4.362 8.761 1.00 0.00 H new ATOM 0 HE21 GLN A 66 68.090 -5.882 9.952 1.00 0.00 H new ATOM 0 HE22 GLN A 66 68.778 -7.411 10.510 1.00 0.00 H new ATOM 275 N SER A 67 66.691 -4.783 4.327 1.00 0.00 N ATOM 276 CA SER A 67 65.403 -5.108 3.728 1.00 0.00 C ATOM 277 C SER A 67 65.354 -6.579 3.329 1.00 0.00 C ATOM 278 O SER A 67 66.371 -7.161 2.952 1.00 0.00 O ATOM 279 CB SER A 67 65.144 -4.222 2.510 1.00 0.00 C ATOM 280 OG SER A 67 64.345 -3.100 2.853 1.00 0.00 O ATOM 0 H SER A 67 67.271 -4.153 3.773 1.00 0.00 H new ATOM 0 HA SER A 67 64.624 -4.923 4.467 1.00 0.00 H new ATOM 0 HB2 SER A 67 66.093 -3.883 2.095 1.00 0.00 H new ATOM 0 HB3 SER A 67 64.646 -4.803 1.734 1.00 0.00 H new ATOM 0 HG SER A 67 63.516 -3.116 2.330 1.00 0.00 H new ATOM 286 N ARG A 68 64.169 -7.182 3.412 1.00 0.00 N ATOM 287 CA ARG A 68 64.008 -8.590 3.055 1.00 0.00 C ATOM 288 C ARG A 68 64.606 -8.870 1.678 1.00 0.00 C ATOM 289 O ARG A 68 65.046 -9.985 1.394 1.00 0.00 O ATOM 290 CB ARG A 68 62.527 -8.993 3.091 1.00 0.00 C ATOM 291 CG ARG A 68 61.694 -8.429 1.948 1.00 0.00 C ATOM 292 CD ARG A 68 60.459 -9.281 1.692 1.00 0.00 C ATOM 293 NE ARG A 68 59.276 -8.468 1.418 1.00 0.00 N ATOM 294 CZ ARG A 68 58.026 -8.896 1.589 1.00 0.00 C ATOM 295 NH1 ARG A 68 57.792 -10.125 2.033 1.00 0.00 N ATOM 296 NH2 ARG A 68 57.006 -8.092 1.317 1.00 0.00 N ATOM 0 H ARG A 68 63.313 -6.722 3.721 1.00 0.00 H new ATOM 0 HA ARG A 68 64.545 -9.190 3.790 1.00 0.00 H new ATOM 0 HB2 ARG A 68 62.458 -10.081 3.072 1.00 0.00 H new ATOM 0 HB3 ARG A 68 62.096 -8.663 4.036 1.00 0.00 H new ATOM 0 HG2 ARG A 68 61.392 -7.409 2.184 1.00 0.00 H new ATOM 0 HG3 ARG A 68 62.299 -8.381 1.043 1.00 0.00 H new ATOM 0 HD2 ARG A 68 60.646 -9.944 0.847 1.00 0.00 H new ATOM 0 HD3 ARG A 68 60.270 -9.914 2.559 1.00 0.00 H new ATOM 0 HE ARG A 68 59.415 -7.517 1.076 1.00 0.00 H new ATOM 0 HH11 ARG A 68 58.572 -10.748 2.245 1.00 0.00 H new ATOM 0 HH12 ARG A 68 56.833 -10.447 2.162 1.00 0.00 H new ATOM 0 HH21 ARG A 68 57.179 -7.146 0.977 1.00 0.00 H new ATOM 0 HH22 ARG A 68 56.049 -8.420 1.448 1.00 0.00 H new ATOM 310 N ARG A 69 64.630 -7.843 0.833 1.00 0.00 N ATOM 311 CA ARG A 69 65.186 -7.962 -0.508 1.00 0.00 C ATOM 312 C ARG A 69 65.550 -6.585 -1.060 1.00 0.00 C ATOM 313 O ARG A 69 64.726 -5.916 -1.681 1.00 0.00 O ATOM 314 CB ARG A 69 64.200 -8.674 -1.445 1.00 0.00 C ATOM 315 CG ARG A 69 62.926 -7.888 -1.724 1.00 0.00 C ATOM 316 CD ARG A 69 62.844 -7.454 -3.181 1.00 0.00 C ATOM 317 NE ARG A 69 63.025 -8.577 -4.101 1.00 0.00 N ATOM 318 CZ ARG A 69 62.026 -9.321 -4.574 1.00 0.00 C ATOM 319 NH1 ARG A 69 60.772 -9.077 -4.213 1.00 0.00 N ATOM 320 NH2 ARG A 69 62.282 -10.318 -5.410 1.00 0.00 N ATOM 0 H ARG A 69 64.269 -6.916 1.056 1.00 0.00 H new ATOM 0 HA ARG A 69 66.094 -8.562 -0.449 1.00 0.00 H new ATOM 0 HB2 ARG A 69 64.700 -8.881 -2.391 1.00 0.00 H new ATOM 0 HB3 ARG A 69 63.932 -9.636 -1.009 1.00 0.00 H new ATOM 0 HG2 ARG A 69 62.059 -8.500 -1.476 1.00 0.00 H new ATOM 0 HG3 ARG A 69 62.891 -7.010 -1.079 1.00 0.00 H new ATOM 0 HD2 ARG A 69 61.877 -6.987 -3.366 1.00 0.00 H new ATOM 0 HD3 ARG A 69 63.605 -6.699 -3.377 1.00 0.00 H new ATOM 0 HE ARG A 69 63.974 -8.804 -4.398 1.00 0.00 H new ATOM 0 HH11 ARG A 69 60.566 -8.314 -3.568 1.00 0.00 H new ATOM 0 HH12 ARG A 69 60.014 -9.652 -4.581 1.00 0.00 H new ATOM 0 HH21 ARG A 69 63.243 -10.515 -5.690 1.00 0.00 H new ATOM 0 HH22 ARG A 69 61.518 -10.888 -5.773 1.00 0.00 H new ATOM 334 N PRO A 70 66.798 -6.134 -0.833 1.00 0.00 N ATOM 335 CA PRO A 70 67.259 -4.826 -1.309 1.00 0.00 C ATOM 336 C PRO A 70 67.382 -4.779 -2.828 1.00 0.00 C ATOM 337 O PRO A 70 68.471 -4.596 -3.371 1.00 0.00 O ATOM 338 CB PRO A 70 68.632 -4.667 -0.648 1.00 0.00 C ATOM 339 CG PRO A 70 69.089 -6.059 -0.381 1.00 0.00 C ATOM 340 CD PRO A 70 67.849 -6.859 -0.094 1.00 0.00 C ATOM 0 HA PRO A 70 66.561 -4.028 -1.056 1.00 0.00 H new ATOM 0 HB2 PRO A 70 69.327 -4.141 -1.302 1.00 0.00 H new ATOM 0 HB3 PRO A 70 68.563 -4.090 0.274 1.00 0.00 H new ATOM 0 HG2 PRO A 70 69.624 -6.465 -1.240 1.00 0.00 H new ATOM 0 HG3 PRO A 70 69.776 -6.088 0.465 1.00 0.00 H new ATOM 0 HD2 PRO A 70 67.946 -7.888 -0.439 1.00 0.00 H new ATOM 0 HD3 PRO A 70 67.635 -6.899 0.974 1.00 0.00 H new ATOM 348 N SER A 71 66.251 -4.949 -3.508 1.00 0.00 N ATOM 349 CA SER A 71 66.220 -4.930 -4.963 1.00 0.00 C ATOM 350 C SER A 71 64.822 -4.593 -5.469 1.00 0.00 C ATOM 351 O SER A 71 63.833 -4.766 -4.754 1.00 0.00 O ATOM 352 CB SER A 71 66.661 -6.286 -5.517 1.00 0.00 C ATOM 353 OG SER A 71 66.250 -7.343 -4.667 1.00 0.00 O ATOM 0 H SER A 71 65.342 -5.102 -3.070 1.00 0.00 H new ATOM 0 HA SER A 71 66.909 -4.160 -5.310 1.00 0.00 H new ATOM 0 HB2 SER A 71 66.239 -6.430 -6.512 1.00 0.00 H new ATOM 0 HB3 SER A 71 67.746 -6.303 -5.625 1.00 0.00 H new ATOM 0 HG SER A 71 66.543 -8.199 -5.044 1.00 0.00 H new ATOM 359 N SER A 72 64.746 -4.110 -6.704 1.00 0.00 N ATOM 360 CA SER A 72 63.470 -3.747 -7.308 1.00 0.00 C ATOM 361 C SER A 72 63.634 -3.483 -8.801 1.00 0.00 C ATOM 362 O SER A 72 64.734 -3.585 -9.339 1.00 0.00 O ATOM 363 CB SER A 72 62.885 -2.512 -6.621 1.00 0.00 C ATOM 364 OG SER A 72 61.476 -2.611 -6.505 1.00 0.00 O ATOM 0 H SER A 72 65.555 -3.961 -7.307 1.00 0.00 H new ATOM 0 HA SER A 72 62.784 -4.583 -7.176 1.00 0.00 H new ATOM 0 HB2 SER A 72 63.327 -2.399 -5.631 1.00 0.00 H new ATOM 0 HB3 SER A 72 63.144 -1.619 -7.190 1.00 0.00 H new ATOM 0 HG SER A 72 61.215 -2.483 -5.569 1.00 0.00 H new ATOM 370 N TRP A 73 62.536 -3.143 -9.463 1.00 0.00 N ATOM 371 CA TRP A 73 62.568 -2.867 -10.895 1.00 0.00 C ATOM 372 C TRP A 73 63.506 -1.703 -11.215 1.00 0.00 C ATOM 373 O TRP A 73 63.908 -1.521 -12.364 1.00 0.00 O ATOM 374 CB TRP A 73 61.160 -2.575 -11.422 1.00 0.00 C ATOM 375 CG TRP A 73 60.383 -1.598 -10.589 1.00 0.00 C ATOM 376 CD1 TRP A 73 59.662 -1.871 -9.460 1.00 0.00 C ATOM 377 CD2 TRP A 73 60.236 -0.195 -10.829 1.00 0.00 C ATOM 378 NE1 TRP A 73 59.079 -0.723 -8.986 1.00 0.00 N ATOM 379 CE2 TRP A 73 59.416 0.318 -9.808 1.00 0.00 C ATOM 380 CE3 TRP A 73 60.721 0.678 -11.808 1.00 0.00 C ATOM 381 CZ2 TRP A 73 59.068 1.663 -9.738 1.00 0.00 C ATOM 382 CZ3 TRP A 73 60.375 2.015 -11.735 1.00 0.00 C ATOM 383 CH2 TRP A 73 59.555 2.497 -10.707 1.00 0.00 C ATOM 0 H TRP A 73 61.615 -3.052 -9.034 1.00 0.00 H new ATOM 0 HA TRP A 73 62.950 -3.757 -11.395 1.00 0.00 H new ATOM 0 HB2 TRP A 73 61.237 -2.188 -12.438 1.00 0.00 H new ATOM 0 HB3 TRP A 73 60.604 -3.511 -11.478 1.00 0.00 H new ATOM 0 HD1 TRP A 73 59.566 -2.847 -9.008 1.00 0.00 H new ATOM 0 HE1 TRP A 73 58.490 -0.656 -8.156 1.00 0.00 H new ATOM 0 HE3 TRP A 73 61.353 0.315 -12.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 58.435 2.036 -8.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 60.744 2.700 -12.484 1.00 0.00 H new ATOM 0 HH2 TRP A 73 59.302 3.547 -10.679 1.00 0.00 H new ATOM 394 N ARG A 74 63.857 -0.920 -10.198 1.00 0.00 N ATOM 395 CA ARG A 74 64.750 0.219 -10.382 1.00 0.00 C ATOM 396 C ARG A 74 66.212 -0.217 -10.317 1.00 0.00 C ATOM 397 O ARG A 74 67.060 0.315 -11.033 1.00 0.00 O ATOM 398 CB ARG A 74 64.479 1.284 -9.319 1.00 0.00 C ATOM 399 CG ARG A 74 63.003 1.596 -9.130 1.00 0.00 C ATOM 400 CD ARG A 74 62.660 1.803 -7.664 1.00 0.00 C ATOM 401 NE ARG A 74 63.270 3.017 -7.127 1.00 0.00 N ATOM 402 CZ ARG A 74 62.840 4.245 -7.402 1.00 0.00 C ATOM 403 NH1 ARG A 74 61.796 4.428 -8.201 1.00 0.00 N ATOM 404 NH2 ARG A 74 63.455 5.296 -6.876 1.00 0.00 N ATOM 0 H ARG A 74 63.537 -1.054 -9.239 1.00 0.00 H new ATOM 0 HA ARG A 74 64.558 0.641 -11.368 1.00 0.00 H new ATOM 0 HB2 ARG A 74 64.896 0.950 -8.369 1.00 0.00 H new ATOM 0 HB3 ARG A 74 65.003 2.200 -9.593 1.00 0.00 H new ATOM 0 HG2 ARG A 74 62.744 2.491 -9.695 1.00 0.00 H new ATOM 0 HG3 ARG A 74 62.403 0.780 -9.533 1.00 0.00 H new ATOM 0 HD2 ARG A 74 61.578 1.859 -7.549 1.00 0.00 H new ATOM 0 HD3 ARG A 74 62.997 0.942 -7.087 1.00 0.00 H new ATOM 0 HE ARG A 74 64.072 2.917 -6.505 1.00 0.00 H new ATOM 0 HH11 ARG A 74 61.318 3.624 -8.608 1.00 0.00 H new ATOM 0 HH12 ARG A 74 61.471 5.373 -8.408 1.00 0.00 H new ATOM 0 HH21 ARG A 74 64.258 5.162 -6.261 1.00 0.00 H new ATOM 0 HH22 ARG A 74 63.125 6.238 -7.087 1.00 0.00 H new ATOM 418 N GLN A 75 66.500 -1.187 -9.455 1.00 0.00 N ATOM 419 CA GLN A 75 67.860 -1.694 -9.295 1.00 0.00 C ATOM 420 C GLN A 75 67.869 -2.954 -8.434 1.00 0.00 C ATOM 421 O GLN A 75 66.819 -3.522 -8.143 1.00 0.00 O ATOM 422 CB GLN A 75 68.759 -0.623 -8.672 1.00 0.00 C ATOM 423 CG GLN A 75 70.024 -0.351 -9.469 1.00 0.00 C ATOM 424 CD GLN A 75 69.931 0.917 -10.297 1.00 0.00 C ATOM 425 OE1 GLN A 75 69.154 1.819 -9.984 1.00 0.00 O ATOM 426 NE2 GLN A 75 70.726 0.990 -11.357 1.00 0.00 N ATOM 0 H GLN A 75 65.809 -1.639 -8.855 1.00 0.00 H new ATOM 0 HA GLN A 75 68.247 -1.947 -10.282 1.00 0.00 H new ATOM 0 HB2 GLN A 75 68.193 0.304 -8.577 1.00 0.00 H new ATOM 0 HB3 GLN A 75 69.034 -0.933 -7.664 1.00 0.00 H new ATOM 0 HG2 GLN A 75 70.870 -0.273 -8.786 1.00 0.00 H new ATOM 0 HG3 GLN A 75 70.223 -1.197 -10.127 1.00 0.00 H new ATOM 0 HE21 GLN A 75 71.354 0.217 -11.578 1.00 0.00 H new ATOM 0 HE22 GLN A 75 70.709 1.819 -11.951 1.00 0.00 H new ATOM 435 N GLU A 76 69.058 -3.388 -8.030 1.00 0.00 N ATOM 436 CA GLU A 76 69.186 -4.584 -7.205 1.00 0.00 C ATOM 437 C GLU A 76 70.307 -4.432 -6.180 1.00 0.00 C ATOM 438 O GLU A 76 70.915 -5.417 -5.763 1.00 0.00 O ATOM 439 CB GLU A 76 69.449 -5.812 -8.081 1.00 0.00 C ATOM 440 CG GLU A 76 70.332 -5.530 -9.286 1.00 0.00 C ATOM 441 CD GLU A 76 71.636 -4.856 -8.909 1.00 0.00 C ATOM 442 OE1 GLU A 76 72.492 -5.522 -8.288 1.00 0.00 O ATOM 443 OE2 GLU A 76 71.803 -3.661 -9.236 1.00 0.00 O ATOM 0 H GLU A 76 69.942 -2.933 -8.258 1.00 0.00 H new ATOM 0 HA GLU A 76 68.246 -4.719 -6.670 1.00 0.00 H new ATOM 0 HB2 GLU A 76 69.917 -6.587 -7.473 1.00 0.00 H new ATOM 0 HB3 GLU A 76 68.495 -6.211 -8.427 1.00 0.00 H new ATOM 0 HG2 GLU A 76 70.547 -6.466 -9.801 1.00 0.00 H new ATOM 0 HG3 GLU A 76 69.790 -4.897 -9.989 1.00 0.00 H new ATOM 450 N LYS A 77 70.573 -3.194 -5.775 1.00 0.00 N ATOM 451 CA LYS A 77 71.620 -2.922 -4.796 1.00 0.00 C ATOM 452 C LYS A 77 71.222 -1.771 -3.877 1.00 0.00 C ATOM 453 O LYS A 77 71.866 -0.722 -3.862 1.00 0.00 O ATOM 454 CB LYS A 77 72.938 -2.597 -5.506 1.00 0.00 C ATOM 455 CG LYS A 77 73.398 -3.691 -6.458 1.00 0.00 C ATOM 456 CD LYS A 77 74.908 -3.860 -6.428 1.00 0.00 C ATOM 457 CE LYS A 77 75.315 -5.278 -6.798 1.00 0.00 C ATOM 458 NZ LYS A 77 75.528 -5.430 -8.264 1.00 0.00 N ATOM 0 H LYS A 77 70.080 -2.366 -6.108 1.00 0.00 H new ATOM 0 HA LYS A 77 71.755 -3.815 -4.187 1.00 0.00 H new ATOM 0 HB2 LYS A 77 72.823 -1.667 -6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 77 73.713 -2.427 -4.758 1.00 0.00 H new ATOM 0 HG2 LYS A 77 72.920 -4.633 -6.189 1.00 0.00 H new ATOM 0 HG3 LYS A 77 73.078 -3.450 -7.472 1.00 0.00 H new ATOM 0 HD2 LYS A 77 75.368 -3.155 -7.120 1.00 0.00 H new ATOM 0 HD3 LYS A 77 75.283 -3.620 -5.433 1.00 0.00 H new ATOM 0 HE2 LYS A 77 76.230 -5.543 -6.269 1.00 0.00 H new ATOM 0 HE3 LYS A 77 74.544 -5.975 -6.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 76.085 -6.289 -8.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 74.608 -5.505 -8.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 76.041 -4.602 -8.628 1.00 0.00 H new ATOM 472 N ILE A 78 70.156 -1.976 -3.107 1.00 0.00 N ATOM 473 CA ILE A 78 69.675 -0.956 -2.185 1.00 0.00 C ATOM 474 C ILE A 78 70.350 -1.081 -0.825 1.00 0.00 C ATOM 475 O ILE A 78 70.116 -2.041 -0.090 1.00 0.00 O ATOM 476 CB ILE A 78 68.146 -1.040 -2.001 1.00 0.00 C ATOM 477 CG1 ILE A 78 67.453 -1.147 -3.362 1.00 0.00 C ATOM 478 CG2 ILE A 78 67.639 0.173 -1.232 1.00 0.00 C ATOM 479 CD1 ILE A 78 65.942 -1.154 -3.277 1.00 0.00 C ATOM 0 H ILE A 78 69.611 -2.838 -3.105 1.00 0.00 H new ATOM 0 HA ILE A 78 69.927 0.010 -2.623 1.00 0.00 H new ATOM 0 HB ILE A 78 67.910 -1.935 -1.424 1.00 0.00 H new ATOM 0 HG12 ILE A 78 67.769 -0.312 -3.987 1.00 0.00 H new ATOM 0 HG13 ILE A 78 67.784 -2.059 -3.858 1.00 0.00 H new ATOM 0 HG21 ILE A 78 66.558 0.100 -1.109 1.00 0.00 H new ATOM 0 HG22 ILE A 78 68.114 0.207 -0.251 1.00 0.00 H new ATOM 0 HG23 ILE A 78 67.881 1.081 -1.784 1.00 0.00 H new ATOM 0 HD11 ILE A 78 65.522 -1.232 -4.280 1.00 0.00 H new ATOM 0 HD12 ILE A 78 65.615 -2.005 -2.679 1.00 0.00 H new ATOM 0 HD13 ILE A 78 65.600 -0.230 -2.811 1.00 0.00 H new ATOM 491 N THR A 79 71.191 -0.107 -0.493 1.00 0.00 N ATOM 492 CA THR A 79 71.901 -0.110 0.781 1.00 0.00 C ATOM 493 C THR A 79 71.568 1.138 1.591 1.00 0.00 C ATOM 494 O THR A 79 72.430 1.701 2.268 1.00 0.00 O ATOM 495 CB THR A 79 73.409 -0.191 0.546 1.00 0.00 C ATOM 496 OG1 THR A 79 74.116 -0.063 1.768 1.00 0.00 O ATOM 497 CG2 THR A 79 73.926 0.874 -0.397 1.00 0.00 C ATOM 0 H THR A 79 71.398 0.695 -1.089 1.00 0.00 H new ATOM 0 HA THR A 79 71.580 -0.985 1.346 1.00 0.00 H new ATOM 0 HB THR A 79 73.578 -1.168 0.093 1.00 0.00 H new ATOM 0 HG1 THR A 79 73.872 0.782 2.200 1.00 0.00 H new ATOM 0 HG21 THR A 79 75.003 0.759 -0.520 1.00 0.00 H new ATOM 0 HG22 THR A 79 73.437 0.771 -1.366 1.00 0.00 H new ATOM 0 HG23 THR A 79 73.711 1.860 0.015 1.00 0.00 H new ATOM 505 N ARG A 80 70.313 1.568 1.518 1.00 0.00 N ATOM 506 CA ARG A 80 69.866 2.751 2.246 1.00 0.00 C ATOM 507 C ARG A 80 69.684 2.445 3.726 1.00 0.00 C ATOM 508 O ARG A 80 69.041 1.462 4.091 1.00 0.00 O ATOM 509 CB ARG A 80 68.551 3.270 1.661 1.00 0.00 C ATOM 510 CG ARG A 80 68.711 3.969 0.322 1.00 0.00 C ATOM 511 CD ARG A 80 68.665 5.482 0.474 1.00 0.00 C ATOM 512 NE ARG A 80 69.021 6.168 -0.765 1.00 0.00 N ATOM 513 CZ ARG A 80 68.733 7.446 -1.012 1.00 0.00 C ATOM 514 NH1 ARG A 80 68.088 8.175 -0.111 1.00 0.00 N ATOM 515 NH2 ARG A 80 69.091 7.995 -2.166 1.00 0.00 N ATOM 0 H ARG A 80 69.587 1.116 0.962 1.00 0.00 H new ATOM 0 HA ARG A 80 70.633 3.518 2.142 1.00 0.00 H new ATOM 0 HB2 ARG A 80 67.861 2.434 1.544 1.00 0.00 H new ATOM 0 HB3 ARG A 80 68.097 3.962 2.370 1.00 0.00 H new ATOM 0 HG2 ARG A 80 69.658 3.676 -0.131 1.00 0.00 H new ATOM 0 HG3 ARG A 80 67.920 3.646 -0.355 1.00 0.00 H new ATOM 0 HD2 ARG A 80 67.664 5.785 0.781 1.00 0.00 H new ATOM 0 HD3 ARG A 80 69.348 5.788 1.267 1.00 0.00 H new ATOM 0 HE ARG A 80 69.518 5.640 -1.482 1.00 0.00 H new ATOM 0 HH11 ARG A 80 67.809 7.758 0.777 1.00 0.00 H new ATOM 0 HH12 ARG A 80 67.871 9.152 -0.306 1.00 0.00 H new ATOM 0 HH21 ARG A 80 69.586 7.439 -2.863 1.00 0.00 H new ATOM 0 HH22 ARG A 80 68.871 8.973 -2.356 1.00 0.00 H new ATOM 529 N THR A 81 70.244 3.296 4.578 1.00 0.00 N ATOM 530 CA THR A 81 70.128 3.113 6.018 1.00 0.00 C ATOM 531 C THR A 81 68.711 3.427 6.483 1.00 0.00 C ATOM 532 O THR A 81 68.009 4.225 5.862 1.00 0.00 O ATOM 533 CB THR A 81 71.128 4.006 6.754 1.00 0.00 C ATOM 534 OG1 THR A 81 70.891 5.371 6.460 1.00 0.00 O ATOM 535 CG2 THR A 81 72.569 3.706 6.407 1.00 0.00 C ATOM 0 H THR A 81 70.781 4.116 4.297 1.00 0.00 H new ATOM 0 HA THR A 81 70.351 2.071 6.248 1.00 0.00 H new ATOM 0 HB THR A 81 70.976 3.797 7.813 1.00 0.00 H new ATOM 0 HG1 THR A 81 71.745 5.825 6.305 1.00 0.00 H new ATOM 0 HG21 THR A 81 73.224 4.376 6.964 1.00 0.00 H new ATOM 0 HG22 THR A 81 72.799 2.673 6.668 1.00 0.00 H new ATOM 0 HG23 THR A 81 72.724 3.853 5.338 1.00 0.00 H new ATOM 543 N LYS A 82 68.295 2.789 7.573 1.00 0.00 N ATOM 544 CA LYS A 82 66.949 2.997 8.121 1.00 0.00 C ATOM 545 C LYS A 82 66.587 4.481 8.137 1.00 0.00 C ATOM 546 O LYS A 82 65.486 4.864 7.738 1.00 0.00 O ATOM 547 CB LYS A 82 66.812 2.412 9.540 1.00 0.00 C ATOM 548 CG LYS A 82 68.110 1.915 10.162 1.00 0.00 C ATOM 549 CD LYS A 82 68.390 0.467 9.788 1.00 0.00 C ATOM 550 CE LYS A 82 69.458 -0.145 10.679 1.00 0.00 C ATOM 551 NZ LYS A 82 68.956 -0.395 12.059 1.00 0.00 N ATOM 0 H LYS A 82 68.865 2.125 8.096 1.00 0.00 H new ATOM 0 HA LYS A 82 66.256 2.469 7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 82 66.384 3.175 10.191 1.00 0.00 H new ATOM 0 HB3 LYS A 82 66.102 1.585 9.508 1.00 0.00 H new ATOM 0 HG2 LYS A 82 68.937 2.544 9.831 1.00 0.00 H new ATOM 0 HG3 LYS A 82 68.053 2.007 11.247 1.00 0.00 H new ATOM 0 HD2 LYS A 82 67.471 -0.114 9.869 1.00 0.00 H new ATOM 0 HD3 LYS A 82 68.710 0.415 8.747 1.00 0.00 H new ATOM 0 HE2 LYS A 82 69.801 -1.083 10.242 1.00 0.00 H new ATOM 0 HE3 LYS A 82 70.320 0.521 10.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 69.619 -1.019 12.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 68.877 0.508 12.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 68.022 -0.849 12.012 1.00 0.00 H new ATOM 565 N GLU A 83 67.518 5.311 8.592 1.00 0.00 N ATOM 566 CA GLU A 83 67.295 6.751 8.651 1.00 0.00 C ATOM 567 C GLU A 83 67.181 7.341 7.248 1.00 0.00 C ATOM 568 O GLU A 83 66.353 8.218 6.998 1.00 0.00 O ATOM 569 CB GLU A 83 68.429 7.436 9.415 1.00 0.00 C ATOM 570 CG GLU A 83 68.160 7.578 10.904 1.00 0.00 C ATOM 571 CD GLU A 83 69.151 8.492 11.593 1.00 0.00 C ATOM 572 OE1 GLU A 83 70.238 8.729 11.022 1.00 0.00 O ATOM 573 OE2 GLU A 83 68.843 8.974 12.703 1.00 0.00 O ATOM 0 H GLU A 83 68.434 5.012 8.925 1.00 0.00 H new ATOM 0 HA GLU A 83 66.357 6.926 9.178 1.00 0.00 H new ATOM 0 HB2 GLU A 83 69.348 6.867 9.273 1.00 0.00 H new ATOM 0 HB3 GLU A 83 68.598 8.425 8.989 1.00 0.00 H new ATOM 0 HG2 GLU A 83 67.152 7.965 11.051 1.00 0.00 H new ATOM 0 HG3 GLU A 83 68.195 6.594 11.371 1.00 0.00 H new ATOM 580 N GLU A 84 68.020 6.855 6.338 1.00 0.00 N ATOM 581 CA GLU A 84 68.016 7.333 4.960 1.00 0.00 C ATOM 582 C GLU A 84 66.659 7.101 4.303 1.00 0.00 C ATOM 583 O GLU A 84 66.114 7.993 3.656 1.00 0.00 O ATOM 584 CB GLU A 84 69.113 6.639 4.153 1.00 0.00 C ATOM 585 CG GLU A 84 70.383 7.467 4.009 1.00 0.00 C ATOM 586 CD GLU A 84 70.888 8.004 5.334 1.00 0.00 C ATOM 587 OE1 GLU A 84 70.233 8.903 5.898 1.00 0.00 O ATOM 588 OE2 GLU A 84 71.941 7.525 5.806 1.00 0.00 O ATOM 0 H GLU A 84 68.711 6.130 6.531 1.00 0.00 H new ATOM 0 HA GLU A 84 68.210 8.405 4.976 1.00 0.00 H new ATOM 0 HB2 GLU A 84 69.360 5.691 4.632 1.00 0.00 H new ATOM 0 HB3 GLU A 84 68.728 6.404 3.161 1.00 0.00 H new ATOM 0 HG2 GLU A 84 71.160 6.855 3.550 1.00 0.00 H new ATOM 0 HG3 GLU A 84 70.193 8.301 3.333 1.00 0.00 H new ATOM 595 N ALA A 85 66.121 5.897 4.469 1.00 0.00 N ATOM 596 CA ALA A 85 64.829 5.553 3.886 1.00 0.00 C ATOM 597 C ALA A 85 63.709 6.372 4.518 1.00 0.00 C ATOM 598 O ALA A 85 62.756 6.763 3.845 1.00 0.00 O ATOM 599 CB ALA A 85 64.558 4.066 4.047 1.00 0.00 C ATOM 0 H ALA A 85 66.558 5.145 5.001 1.00 0.00 H new ATOM 0 HA ALA A 85 64.860 5.790 2.823 1.00 0.00 H new ATOM 0 HB1 ALA A 85 63.591 3.823 3.608 1.00 0.00 H new ATOM 0 HB2 ALA A 85 65.339 3.497 3.543 1.00 0.00 H new ATOM 0 HB3 ALA A 85 64.550 3.810 5.107 1.00 0.00 H new ATOM 605 N LEU A 86 63.833 6.631 5.815 1.00 0.00 N ATOM 606 CA LEU A 86 62.831 7.409 6.537 1.00 0.00 C ATOM 607 C LEU A 86 62.899 8.879 6.134 1.00 0.00 C ATOM 608 O LEU A 86 61.886 9.577 6.119 1.00 0.00 O ATOM 609 CB LEU A 86 63.041 7.264 8.048 1.00 0.00 C ATOM 610 CG LEU A 86 62.166 8.170 8.923 1.00 0.00 C ATOM 611 CD1 LEU A 86 60.947 7.414 9.424 1.00 0.00 C ATOM 612 CD2 LEU A 86 62.971 8.720 10.091 1.00 0.00 C ATOM 0 H LEU A 86 64.616 6.315 6.388 1.00 0.00 H new ATOM 0 HA LEU A 86 61.843 7.027 6.278 1.00 0.00 H new ATOM 0 HB2 LEU A 86 62.853 6.227 8.326 1.00 0.00 H new ATOM 0 HB3 LEU A 86 64.087 7.470 8.274 1.00 0.00 H new ATOM 0 HG LEU A 86 61.823 9.008 8.316 1.00 0.00 H new ATOM 0 HD11 LEU A 86 60.339 8.074 10.043 1.00 0.00 H new ATOM 0 HD12 LEU A 86 60.358 7.069 8.574 1.00 0.00 H new ATOM 0 HD13 LEU A 86 61.268 6.556 10.015 1.00 0.00 H new ATOM 0 HD21 LEU A 86 62.335 9.361 10.702 1.00 0.00 H new ATOM 0 HD22 LEU A 86 63.343 7.894 10.697 1.00 0.00 H new ATOM 0 HD23 LEU A 86 63.813 9.300 9.712 1.00 0.00 H new ATOM 624 N GLU A 87 64.103 9.342 5.808 1.00 0.00 N ATOM 625 CA GLU A 87 64.307 10.727 5.405 1.00 0.00 C ATOM 626 C GLU A 87 63.519 11.046 4.138 1.00 0.00 C ATOM 627 O GLU A 87 62.674 11.941 4.129 1.00 0.00 O ATOM 628 CB GLU A 87 65.797 11.000 5.179 1.00 0.00 C ATOM 629 CG GLU A 87 66.092 12.387 4.628 1.00 0.00 C ATOM 630 CD GLU A 87 65.796 13.490 5.627 1.00 0.00 C ATOM 631 OE1 GLU A 87 65.128 13.208 6.644 1.00 0.00 O ATOM 632 OE2 GLU A 87 66.236 14.636 5.392 1.00 0.00 O ATOM 0 H GLU A 87 64.952 8.776 5.816 1.00 0.00 H new ATOM 0 HA GLU A 87 63.945 11.371 6.207 1.00 0.00 H new ATOM 0 HB2 GLU A 87 66.327 10.874 6.123 1.00 0.00 H new ATOM 0 HB3 GLU A 87 66.193 10.254 4.490 1.00 0.00 H new ATOM 0 HG2 GLU A 87 67.140 12.441 4.334 1.00 0.00 H new ATOM 0 HG3 GLU A 87 65.499 12.549 3.728 1.00 0.00 H new ATOM 639 N LEU A 88 63.800 10.306 3.070 1.00 0.00 N ATOM 640 CA LEU A 88 63.119 10.509 1.798 1.00 0.00 C ATOM 641 C LEU A 88 61.610 10.347 1.959 1.00 0.00 C ATOM 642 O LEU A 88 60.839 11.217 1.555 1.00 0.00 O ATOM 643 CB LEU A 88 63.651 9.531 0.748 1.00 0.00 C ATOM 644 CG LEU A 88 63.584 8.054 1.140 1.00 0.00 C ATOM 645 CD1 LEU A 88 62.275 7.441 0.674 1.00 0.00 C ATOM 646 CD2 LEU A 88 64.767 7.294 0.560 1.00 0.00 C ATOM 0 H LEU A 88 64.495 9.560 3.061 1.00 0.00 H new ATOM 0 HA LEU A 88 63.319 11.526 1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 88 63.088 9.671 -0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 88 64.688 9.786 0.530 1.00 0.00 H new ATOM 0 HG LEU A 88 63.630 7.982 2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 88 62.243 6.390 0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 88 61.441 7.969 1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 88 62.200 7.524 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 88 64.703 6.245 0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 88 64.752 7.372 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 88 65.695 7.719 0.942 1.00 0.00 H new ATOM 658 N ILE A 89 61.191 9.231 2.556 1.00 0.00 N ATOM 659 CA ILE A 89 59.773 8.963 2.776 1.00 0.00 C ATOM 660 C ILE A 89 59.079 10.190 3.373 1.00 0.00 C ATOM 661 O ILE A 89 58.047 10.639 2.872 1.00 0.00 O ATOM 662 CB ILE A 89 59.586 7.716 3.690 1.00 0.00 C ATOM 663 CG1 ILE A 89 58.752 6.640 2.976 1.00 0.00 C ATOM 664 CG2 ILE A 89 58.965 8.076 5.038 1.00 0.00 C ATOM 665 CD1 ILE A 89 59.547 5.840 1.974 1.00 0.00 C ATOM 0 H ILE A 89 61.815 8.499 2.895 1.00 0.00 H new ATOM 0 HA ILE A 89 59.309 8.748 1.813 1.00 0.00 H new ATOM 0 HB ILE A 89 60.579 7.313 3.892 1.00 0.00 H new ATOM 0 HG12 ILE A 89 58.331 5.963 3.719 1.00 0.00 H new ATOM 0 HG13 ILE A 89 57.914 7.117 2.468 1.00 0.00 H new ATOM 0 HG21 ILE A 89 58.854 7.174 5.640 1.00 0.00 H new ATOM 0 HG22 ILE A 89 59.611 8.783 5.559 1.00 0.00 H new ATOM 0 HG23 ILE A 89 57.986 8.528 4.879 1.00 0.00 H new ATOM 0 HD11 ILE A 89 58.900 5.098 1.506 1.00 0.00 H new ATOM 0 HD12 ILE A 89 59.946 6.507 1.210 1.00 0.00 H new ATOM 0 HD13 ILE A 89 60.370 5.336 2.481 1.00 0.00 H new ATOM 677 N ASN A 90 59.661 10.741 4.435 1.00 0.00 N ATOM 678 CA ASN A 90 59.102 11.923 5.082 1.00 0.00 C ATOM 679 C ASN A 90 59.010 13.077 4.091 1.00 0.00 C ATOM 680 O ASN A 90 57.960 13.706 3.952 1.00 0.00 O ATOM 681 CB ASN A 90 59.960 12.328 6.285 1.00 0.00 C ATOM 682 CG ASN A 90 59.508 13.633 6.912 1.00 0.00 C ATOM 683 OD1 ASN A 90 58.691 13.644 7.835 1.00 0.00 O ATOM 684 ND2 ASN A 90 60.038 14.743 6.412 1.00 0.00 N ATOM 0 H ASN A 90 60.517 10.389 4.864 1.00 0.00 H new ATOM 0 HA ASN A 90 58.098 11.683 5.433 1.00 0.00 H new ATOM 0 HB2 ASN A 90 59.924 11.538 7.035 1.00 0.00 H new ATOM 0 HB3 ASN A 90 60.999 12.421 5.970 1.00 0.00 H new ATOM 0 HD21 ASN A 90 59.772 15.651 6.792 1.00 0.00 H new ATOM 0 HD22 ASN A 90 60.711 14.687 5.648 1.00 0.00 H new ATOM 691 N GLY A 91 60.110 13.342 3.393 1.00 0.00 N ATOM 692 CA GLY A 91 60.121 14.411 2.412 1.00 0.00 C ATOM 693 C GLY A 91 59.006 14.254 1.399 1.00 0.00 C ATOM 694 O GLY A 91 58.373 15.231 1.002 1.00 0.00 O ATOM 0 H GLY A 91 60.991 12.837 3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 91 60.020 15.371 2.919 1.00 0.00 H new ATOM 0 HA3 GLY A 91 61.082 14.422 1.897 1.00 0.00 H new ATOM 698 N TYR A 92 58.758 13.012 0.993 1.00 0.00 N ATOM 699 CA TYR A 92 57.703 12.716 0.032 1.00 0.00 C ATOM 700 C TYR A 92 56.354 13.196 0.559 1.00 0.00 C ATOM 701 O TYR A 92 55.541 13.746 -0.185 1.00 0.00 O ATOM 702 CB TYR A 92 57.647 11.208 -0.241 1.00 0.00 C ATOM 703 CG TYR A 92 58.887 10.643 -0.906 1.00 0.00 C ATOM 704 CD1 TYR A 92 59.810 11.472 -1.538 1.00 0.00 C ATOM 705 CD2 TYR A 92 59.133 9.274 -0.903 1.00 0.00 C ATOM 706 CE1 TYR A 92 60.938 10.952 -2.145 1.00 0.00 C ATOM 707 CE2 TYR A 92 60.259 8.748 -1.508 1.00 0.00 C ATOM 708 CZ TYR A 92 61.157 9.590 -2.127 1.00 0.00 C ATOM 709 OH TYR A 92 62.281 9.069 -2.731 1.00 0.00 O ATOM 0 H TYR A 92 59.275 12.194 1.316 1.00 0.00 H new ATOM 0 HA TYR A 92 57.924 13.240 -0.898 1.00 0.00 H new ATOM 0 HB2 TYR A 92 57.487 10.686 0.703 1.00 0.00 H new ATOM 0 HB3 TYR A 92 56.784 10.998 -0.872 1.00 0.00 H new ATOM 0 HD1 TYR A 92 59.642 12.539 -1.554 1.00 0.00 H new ATOM 0 HD2 TYR A 92 58.432 8.610 -0.419 1.00 0.00 H new ATOM 0 HE1 TYR A 92 61.644 11.609 -2.631 1.00 0.00 H new ATOM 0 HE2 TYR A 92 60.434 7.682 -1.496 1.00 0.00 H new ATOM 0 HH TYR A 92 62.255 9.261 -3.692 1.00 0.00 H new ATOM 719 N ILE A 93 56.126 12.980 1.850 1.00 0.00 N ATOM 720 CA ILE A 93 54.880 13.380 2.492 1.00 0.00 C ATOM 721 C ILE A 93 54.690 14.899 2.454 1.00 0.00 C ATOM 722 O ILE A 93 53.619 15.389 2.092 1.00 0.00 O ATOM 723 CB ILE A 93 54.831 12.875 3.959 1.00 0.00 C ATOM 724 CG1 ILE A 93 54.123 11.521 4.023 1.00 0.00 C ATOM 725 CG2 ILE A 93 54.131 13.877 4.870 1.00 0.00 C ATOM 726 CD1 ILE A 93 54.254 10.833 5.363 1.00 0.00 C ATOM 0 H ILE A 93 56.793 12.527 2.475 1.00 0.00 H new ATOM 0 HA ILE A 93 54.064 12.922 1.932 1.00 0.00 H new ATOM 0 HB ILE A 93 55.857 12.763 4.311 1.00 0.00 H new ATOM 0 HG12 ILE A 93 53.066 11.662 3.798 1.00 0.00 H new ATOM 0 HG13 ILE A 93 54.530 10.871 3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 93 54.114 13.492 5.890 1.00 0.00 H new ATOM 0 HG22 ILE A 93 54.668 14.825 4.849 1.00 0.00 H new ATOM 0 HG23 ILE A 93 53.109 14.031 4.524 1.00 0.00 H new ATOM 0 HD11 ILE A 93 53.728 9.879 5.335 1.00 0.00 H new ATOM 0 HD12 ILE A 93 55.308 10.660 5.582 1.00 0.00 H new ATOM 0 HD13 ILE A 93 53.821 11.464 6.140 1.00 0.00 H new ATOM 738 N GLN A 94 55.725 15.634 2.844 1.00 0.00 N ATOM 739 CA GLN A 94 55.663 17.094 2.871 1.00 0.00 C ATOM 740 C GLN A 94 55.336 17.676 1.498 1.00 0.00 C ATOM 741 O GLN A 94 54.423 18.491 1.362 1.00 0.00 O ATOM 742 CB GLN A 94 56.988 17.668 3.376 1.00 0.00 C ATOM 743 CG GLN A 94 56.898 19.128 3.791 1.00 0.00 C ATOM 744 CD GLN A 94 57.156 20.079 2.638 1.00 0.00 C ATOM 745 OE1 GLN A 94 56.164 20.902 2.318 1.00 0.00 O flip ATOM 746 NE2 GLN A 94 58.233 20.072 2.044 1.00 0.00 N flip ATOM 0 H GLN A 94 56.618 15.245 3.146 1.00 0.00 H new ATOM 0 HA GLN A 94 54.859 17.375 3.551 1.00 0.00 H new ATOM 0 HB2 GLN A 94 57.330 17.077 4.226 1.00 0.00 H new ATOM 0 HB3 GLN A 94 57.740 17.567 2.594 1.00 0.00 H new ATOM 0 HG2 GLN A 94 55.909 19.324 4.204 1.00 0.00 H new ATOM 0 HG3 GLN A 94 57.619 19.321 4.585 1.00 0.00 H new ATOM 0 HE21 GLN A 94 58.966 19.421 2.325 1.00 0.00 H new ATOM 0 HE22 GLN A 94 58.393 20.717 1.270 1.00 0.00 H new ATOM 755 N LYS A 95 56.093 17.268 0.484 1.00 0.00 N ATOM 756 CA LYS A 95 55.888 17.766 -0.876 1.00 0.00 C ATOM 757 C LYS A 95 54.437 17.590 -1.325 1.00 0.00 C ATOM 758 O LYS A 95 53.833 18.510 -1.883 1.00 0.00 O ATOM 759 CB LYS A 95 56.825 17.054 -1.854 1.00 0.00 C ATOM 760 CG LYS A 95 58.288 17.097 -1.443 1.00 0.00 C ATOM 761 CD LYS A 95 58.920 18.441 -1.762 1.00 0.00 C ATOM 762 CE LYS A 95 60.291 18.576 -1.117 1.00 0.00 C ATOM 763 NZ LYS A 95 60.279 18.145 0.308 1.00 0.00 N ATOM 0 H LYS A 95 56.854 16.595 0.576 1.00 0.00 H new ATOM 0 HA LYS A 95 56.115 18.832 -0.872 1.00 0.00 H new ATOM 0 HB2 LYS A 95 56.514 16.014 -1.948 1.00 0.00 H new ATOM 0 HB3 LYS A 95 56.720 17.509 -2.839 1.00 0.00 H new ATOM 0 HG2 LYS A 95 58.372 16.899 -0.374 1.00 0.00 H new ATOM 0 HG3 LYS A 95 58.834 16.306 -1.957 1.00 0.00 H new ATOM 0 HD2 LYS A 95 59.012 18.555 -2.842 1.00 0.00 H new ATOM 0 HD3 LYS A 95 58.270 19.243 -1.411 1.00 0.00 H new ATOM 0 HE2 LYS A 95 61.014 17.977 -1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 95 60.621 19.613 -1.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 60.920 18.751 0.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 59.314 18.227 0.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 60.594 17.156 0.374 1.00 0.00 H new ATOM 777 N ILE A 96 53.881 16.409 -1.081 1.00 0.00 N ATOM 778 CA ILE A 96 52.503 16.126 -1.465 1.00 0.00 C ATOM 779 C ILE A 96 51.533 17.011 -0.696 1.00 0.00 C ATOM 780 O ILE A 96 50.657 17.644 -1.285 1.00 0.00 O ATOM 781 CB ILE A 96 52.146 14.648 -1.229 1.00 0.00 C ATOM 782 CG1 ILE A 96 53.165 13.757 -1.935 1.00 0.00 C ATOM 783 CG2 ILE A 96 50.739 14.352 -1.725 1.00 0.00 C ATOM 784 CD1 ILE A 96 53.217 12.347 -1.392 1.00 0.00 C ATOM 0 H ILE A 96 54.360 15.635 -0.621 1.00 0.00 H new ATOM 0 HA ILE A 96 52.416 16.340 -2.530 1.00 0.00 H new ATOM 0 HB ILE A 96 52.175 14.441 -0.159 1.00 0.00 H new ATOM 0 HG12 ILE A 96 52.927 13.719 -2.998 1.00 0.00 H new ATOM 0 HG13 ILE A 96 54.153 14.208 -1.845 1.00 0.00 H new ATOM 0 HG21 ILE A 96 50.505 13.302 -1.550 1.00 0.00 H new ATOM 0 HG22 ILE A 96 50.025 14.978 -1.189 1.00 0.00 H new ATOM 0 HG23 ILE A 96 50.677 14.564 -2.792 1.00 0.00 H new ATOM 0 HD11 ILE A 96 53.963 11.773 -1.942 1.00 0.00 H new ATOM 0 HD12 ILE A 96 53.485 12.373 -0.336 1.00 0.00 H new ATOM 0 HD13 ILE A 96 52.240 11.877 -1.506 1.00 0.00 H new ATOM 796 N LYS A 97 51.702 17.062 0.618 1.00 0.00 N ATOM 797 CA LYS A 97 50.845 17.883 1.456 1.00 0.00 C ATOM 798 C LYS A 97 51.050 19.364 1.148 1.00 0.00 C ATOM 799 O LYS A 97 50.212 20.198 1.491 1.00 0.00 O ATOM 800 CB LYS A 97 51.125 17.613 2.936 1.00 0.00 C ATOM 801 CG LYS A 97 50.201 18.369 3.877 1.00 0.00 C ATOM 802 CD LYS A 97 50.418 17.955 5.323 1.00 0.00 C ATOM 803 CE LYS A 97 51.332 18.928 6.050 1.00 0.00 C ATOM 804 NZ LYS A 97 51.090 18.926 7.519 1.00 0.00 N ATOM 0 H LYS A 97 52.422 16.546 1.123 1.00 0.00 H new ATOM 0 HA LYS A 97 49.809 17.622 1.241 1.00 0.00 H new ATOM 0 HB2 LYS A 97 51.029 16.544 3.126 1.00 0.00 H new ATOM 0 HB3 LYS A 97 52.157 17.885 3.158 1.00 0.00 H new ATOM 0 HG2 LYS A 97 50.373 19.440 3.775 1.00 0.00 H new ATOM 0 HG3 LYS A 97 49.164 18.184 3.596 1.00 0.00 H new ATOM 0 HD2 LYS A 97 49.458 17.904 5.836 1.00 0.00 H new ATOM 0 HD3 LYS A 97 50.850 16.955 5.355 1.00 0.00 H new ATOM 0 HE2 LYS A 97 52.371 18.666 5.853 1.00 0.00 H new ATOM 0 HE3 LYS A 97 51.177 19.933 5.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 51.733 19.602 7.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 50.105 19.201 7.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 51.262 17.973 7.898 1.00 0.00 H new ATOM 818 N SER A 98 52.165 19.691 0.491 1.00 0.00 N ATOM 819 CA SER A 98 52.459 21.073 0.139 1.00 0.00 C ATOM 820 C SER A 98 51.759 21.458 -1.158 1.00 0.00 C ATOM 821 O SER A 98 51.429 22.623 -1.379 1.00 0.00 O ATOM 822 CB SER A 98 53.970 21.278 0.000 1.00 0.00 C ATOM 823 OG SER A 98 54.411 20.976 -1.312 1.00 0.00 O ATOM 0 H SER A 98 52.873 19.019 0.195 1.00 0.00 H new ATOM 0 HA SER A 98 52.088 21.715 0.938 1.00 0.00 H new ATOM 0 HB2 SER A 98 54.223 22.310 0.243 1.00 0.00 H new ATOM 0 HB3 SER A 98 54.493 20.645 0.717 1.00 0.00 H new ATOM 0 HG SER A 98 54.221 20.036 -1.513 1.00 0.00 H new ATOM 829 N GLY A 99 51.542 20.467 -2.016 1.00 0.00 N ATOM 830 CA GLY A 99 50.891 20.714 -3.286 1.00 0.00 C ATOM 831 C GLY A 99 51.887 20.915 -4.413 1.00 0.00 C ATOM 832 O GLY A 99 51.518 21.348 -5.504 1.00 0.00 O ATOM 0 H GLY A 99 51.807 19.496 -1.853 1.00 0.00 H new ATOM 0 HA2 GLY A 99 50.238 19.875 -3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 99 50.258 21.597 -3.202 1.00 0.00 H new ATOM 836 N GLU A 100 53.155 20.602 -4.149 1.00 0.00 N ATOM 837 CA GLU A 100 54.200 20.757 -5.154 1.00 0.00 C ATOM 838 C GLU A 100 54.446 19.447 -5.897 1.00 0.00 C ATOM 839 O GLU A 100 54.670 19.449 -7.107 1.00 0.00 O ATOM 840 CB GLU A 100 55.497 21.258 -4.508 1.00 0.00 C ATOM 841 CG GLU A 100 56.257 20.198 -3.724 1.00 0.00 C ATOM 842 CD GLU A 100 57.650 20.649 -3.336 1.00 0.00 C ATOM 843 OE1 GLU A 100 57.789 21.310 -2.286 1.00 0.00 O ATOM 844 OE2 GLU A 100 58.603 20.345 -4.084 1.00 0.00 O ATOM 0 H GLU A 100 53.480 20.242 -3.252 1.00 0.00 H new ATOM 0 HA GLU A 100 53.863 21.498 -5.879 1.00 0.00 H new ATOM 0 HB2 GLU A 100 56.148 21.653 -5.288 1.00 0.00 H new ATOM 0 HB3 GLU A 100 55.260 22.087 -3.841 1.00 0.00 H new ATOM 0 HG2 GLU A 100 55.697 19.946 -2.824 1.00 0.00 H new ATOM 0 HG3 GLU A 100 56.326 19.289 -4.322 1.00 0.00 H new ATOM 851 N GLU A 101 54.401 18.329 -5.175 1.00 0.00 N ATOM 852 CA GLU A 101 54.623 17.024 -5.798 1.00 0.00 C ATOM 853 C GLU A 101 53.532 16.038 -5.399 1.00 0.00 C ATOM 854 O GLU A 101 53.393 15.693 -4.229 1.00 0.00 O ATOM 855 CB GLU A 101 55.997 16.474 -5.414 1.00 0.00 C ATOM 856 CG GLU A 101 57.151 17.197 -6.091 1.00 0.00 C ATOM 857 CD GLU A 101 58.449 17.086 -5.316 1.00 0.00 C ATOM 858 OE1 GLU A 101 58.440 16.483 -4.222 1.00 0.00 O ATOM 859 OE2 GLU A 101 59.477 17.600 -5.805 1.00 0.00 O ATOM 0 H GLU A 101 54.216 18.298 -4.172 1.00 0.00 H new ATOM 0 HA GLU A 101 54.587 17.156 -6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 101 56.119 16.545 -4.333 1.00 0.00 H new ATOM 0 HB3 GLU A 101 56.041 15.416 -5.671 1.00 0.00 H new ATOM 0 HG2 GLU A 101 57.294 16.787 -7.091 1.00 0.00 H new ATOM 0 HG3 GLU A 101 56.894 18.249 -6.211 1.00 0.00 H new ATOM 866 N ASP A 102 52.756 15.591 -6.381 1.00 0.00 N ATOM 867 CA ASP A 102 51.671 14.652 -6.125 1.00 0.00 C ATOM 868 C ASP A 102 52.193 13.281 -5.725 1.00 0.00 C ATOM 869 O ASP A 102 53.262 12.854 -6.161 1.00 0.00 O ATOM 870 CB ASP A 102 50.757 14.534 -7.347 1.00 0.00 C ATOM 871 CG ASP A 102 51.523 14.274 -8.628 1.00 0.00 C ATOM 872 OD1 ASP A 102 52.491 15.014 -8.902 1.00 0.00 O ATOM 873 OD2 ASP A 102 51.152 13.332 -9.358 1.00 0.00 O ATOM 0 H ASP A 102 52.858 15.863 -7.359 1.00 0.00 H new ATOM 0 HA ASP A 102 51.094 15.046 -5.288 1.00 0.00 H new ATOM 0 HB2 ASP A 102 50.043 13.726 -7.185 1.00 0.00 H new ATOM 0 HB3 ASP A 102 50.180 15.452 -7.454 1.00 0.00 H new ATOM 878 N PHE A 103 51.420 12.595 -4.888 1.00 0.00 N ATOM 879 CA PHE A 103 51.780 11.271 -4.414 1.00 0.00 C ATOM 880 C PHE A 103 51.968 10.315 -5.585 1.00 0.00 C ATOM 881 O PHE A 103 52.902 9.513 -5.604 1.00 0.00 O ATOM 882 CB PHE A 103 50.694 10.748 -3.475 1.00 0.00 C ATOM 883 CG PHE A 103 51.160 9.637 -2.581 1.00 0.00 C ATOM 884 CD1 PHE A 103 51.578 8.431 -3.113 1.00 0.00 C ATOM 885 CD2 PHE A 103 51.191 9.807 -1.207 1.00 0.00 C ATOM 886 CE1 PHE A 103 52.021 7.412 -2.290 1.00 0.00 C ATOM 887 CE2 PHE A 103 51.630 8.796 -0.379 1.00 0.00 C ATOM 888 CZ PHE A 103 52.048 7.597 -0.920 1.00 0.00 C ATOM 0 H PHE A 103 50.533 12.942 -4.524 1.00 0.00 H new ATOM 0 HA PHE A 103 52.723 11.336 -3.871 1.00 0.00 H new ATOM 0 HB2 PHE A 103 50.330 11.571 -2.859 1.00 0.00 H new ATOM 0 HB3 PHE A 103 49.850 10.396 -4.069 1.00 0.00 H new ATOM 0 HD1 PHE A 103 51.558 8.283 -4.183 1.00 0.00 H new ATOM 0 HD2 PHE A 103 50.867 10.744 -0.778 1.00 0.00 H new ATOM 0 HE1 PHE A 103 52.345 6.474 -2.716 1.00 0.00 H new ATOM 0 HE2 PHE A 103 51.647 8.942 0.691 1.00 0.00 H new ATOM 0 HZ PHE A 103 52.396 6.804 -0.274 1.00 0.00 H new ATOM 898 N GLU A 104 51.078 10.415 -6.566 1.00 0.00 N ATOM 899 CA GLU A 104 51.148 9.568 -7.747 1.00 0.00 C ATOM 900 C GLU A 104 52.475 9.768 -8.471 1.00 0.00 C ATOM 901 O GLU A 104 53.183 8.805 -8.765 1.00 0.00 O ATOM 902 CB GLU A 104 49.987 9.876 -8.695 1.00 0.00 C ATOM 903 CG GLU A 104 48.620 9.768 -8.039 1.00 0.00 C ATOM 904 CD GLU A 104 47.496 10.205 -8.958 1.00 0.00 C ATOM 905 OE1 GLU A 104 47.196 9.468 -9.919 1.00 0.00 O ATOM 906 OE2 GLU A 104 46.916 11.285 -8.716 1.00 0.00 O ATOM 0 H GLU A 104 50.300 11.075 -6.565 1.00 0.00 H new ATOM 0 HA GLU A 104 51.076 8.529 -7.426 1.00 0.00 H new ATOM 0 HB2 GLU A 104 50.111 10.883 -9.093 1.00 0.00 H new ATOM 0 HB3 GLU A 104 50.029 9.191 -9.542 1.00 0.00 H new ATOM 0 HG2 GLU A 104 48.450 8.737 -7.729 1.00 0.00 H new ATOM 0 HG3 GLU A 104 48.605 10.379 -7.137 1.00 0.00 H new ATOM 913 N SER A 105 52.815 11.024 -8.743 1.00 0.00 N ATOM 914 CA SER A 105 54.062 11.334 -9.429 1.00 0.00 C ATOM 915 C SER A 105 55.247 10.959 -8.554 1.00 0.00 C ATOM 916 O SER A 105 56.201 10.339 -9.025 1.00 0.00 O ATOM 917 CB SER A 105 54.130 12.820 -9.784 1.00 0.00 C ATOM 918 OG SER A 105 54.490 13.599 -8.656 1.00 0.00 O ATOM 0 H SER A 105 52.249 11.837 -8.501 1.00 0.00 H new ATOM 0 HA SER A 105 54.098 10.754 -10.351 1.00 0.00 H new ATOM 0 HB2 SER A 105 54.856 12.973 -10.582 1.00 0.00 H new ATOM 0 HB3 SER A 105 53.164 13.151 -10.164 1.00 0.00 H new ATOM 0 HG SER A 105 54.011 14.454 -8.683 1.00 0.00 H new ATOM 924 N LEU A 106 55.182 11.321 -7.278 1.00 0.00 N ATOM 925 CA LEU A 106 56.261 10.992 -6.358 1.00 0.00 C ATOM 926 C LEU A 106 56.447 9.479 -6.276 1.00 0.00 C ATOM 927 O LEU A 106 57.482 8.953 -6.691 1.00 0.00 O ATOM 928 CB LEU A 106 55.981 11.571 -4.970 1.00 0.00 C ATOM 929 CG LEU A 106 56.169 13.085 -4.853 1.00 0.00 C ATOM 930 CD1 LEU A 106 55.772 13.570 -3.469 1.00 0.00 C ATOM 931 CD2 LEU A 106 57.609 13.470 -5.159 1.00 0.00 C ATOM 0 H LEU A 106 54.405 11.835 -6.862 1.00 0.00 H new ATOM 0 HA LEU A 106 57.182 11.436 -6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 106 54.957 11.324 -4.689 1.00 0.00 H new ATOM 0 HB3 LEU A 106 56.636 11.082 -4.249 1.00 0.00 H new ATOM 0 HG LEU A 106 55.520 13.567 -5.584 1.00 0.00 H new ATOM 0 HD11 LEU A 106 55.913 14.649 -3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 106 54.725 13.330 -3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 106 56.393 13.079 -2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 106 57.723 14.550 -5.071 1.00 0.00 H new ATOM 0 HD22 LEU A 106 58.276 12.976 -4.453 1.00 0.00 H new ATOM 0 HD23 LEU A 106 57.861 13.160 -6.173 1.00 0.00 H new ATOM 943 N ALA A 107 55.428 8.782 -5.756 1.00 0.00 N ATOM 944 CA ALA A 107 55.465 7.321 -5.630 1.00 0.00 C ATOM 945 C ALA A 107 56.228 6.683 -6.773 1.00 0.00 C ATOM 946 O ALA A 107 57.271 6.086 -6.565 1.00 0.00 O ATOM 947 CB ALA A 107 54.054 6.752 -5.582 1.00 0.00 C ATOM 0 H ALA A 107 54.566 9.209 -5.415 1.00 0.00 H new ATOM 0 HA ALA A 107 55.982 7.089 -4.699 1.00 0.00 H new ATOM 0 HB1 ALA A 107 54.102 5.667 -5.488 1.00 0.00 H new ATOM 0 HB2 ALA A 107 53.523 7.167 -4.725 1.00 0.00 H new ATOM 0 HB3 ALA A 107 53.525 7.014 -6.498 1.00 0.00 H new ATOM 953 N SER A 108 55.704 6.816 -7.979 1.00 0.00 N ATOM 954 CA SER A 108 56.344 6.240 -9.152 1.00 0.00 C ATOM 955 C SER A 108 57.857 6.504 -9.173 1.00 0.00 C ATOM 956 O SER A 108 58.655 5.570 -9.271 1.00 0.00 O ATOM 957 CB SER A 108 55.705 6.802 -10.424 1.00 0.00 C ATOM 958 OG SER A 108 56.614 6.788 -11.513 1.00 0.00 O ATOM 0 H SER A 108 54.837 7.317 -8.173 1.00 0.00 H new ATOM 0 HA SER A 108 56.197 5.161 -9.107 1.00 0.00 H new ATOM 0 HB2 SER A 108 54.822 6.216 -10.678 1.00 0.00 H new ATOM 0 HB3 SER A 108 55.368 7.823 -10.243 1.00 0.00 H new ATOM 0 HG SER A 108 56.175 7.152 -12.310 1.00 0.00 H new ATOM 964 N GLN A 109 58.242 7.778 -9.089 1.00 0.00 N ATOM 965 CA GLN A 109 59.654 8.167 -9.149 1.00 0.00 C ATOM 966 C GLN A 109 60.453 7.708 -7.939 1.00 0.00 C ATOM 967 O GLN A 109 61.681 7.796 -7.933 1.00 0.00 O ATOM 968 CB GLN A 109 59.771 9.686 -9.277 1.00 0.00 C ATOM 969 CG GLN A 109 59.226 10.229 -10.587 1.00 0.00 C ATOM 970 CD GLN A 109 60.136 11.268 -11.214 1.00 0.00 C ATOM 971 OE1 GLN A 109 61.084 10.932 -11.923 1.00 0.00 O ATOM 972 NE2 GLN A 109 59.848 12.539 -10.956 1.00 0.00 N ATOM 0 H GLN A 109 57.596 8.560 -8.979 1.00 0.00 H new ATOM 0 HA GLN A 109 60.074 7.671 -10.024 1.00 0.00 H new ATOM 0 HB2 GLN A 109 59.238 10.154 -8.449 1.00 0.00 H new ATOM 0 HB3 GLN A 109 60.819 9.971 -9.183 1.00 0.00 H new ATOM 0 HG2 GLN A 109 59.086 9.405 -11.287 1.00 0.00 H new ATOM 0 HG3 GLN A 109 58.244 10.670 -10.413 1.00 0.00 H new ATOM 0 HE21 GLN A 109 59.052 12.771 -10.362 1.00 0.00 H new ATOM 0 HE22 GLN A 109 60.423 13.283 -11.352 1.00 0.00 H new ATOM 981 N PHE A 110 59.773 7.215 -6.923 1.00 0.00 N ATOM 982 CA PHE A 110 60.456 6.746 -5.728 1.00 0.00 C ATOM 983 C PHE A 110 59.868 5.428 -5.238 1.00 0.00 C ATOM 984 O PHE A 110 60.249 4.926 -4.179 1.00 0.00 O ATOM 985 CB PHE A 110 60.384 7.811 -4.637 1.00 0.00 C ATOM 986 CG PHE A 110 60.861 9.157 -5.103 1.00 0.00 C ATOM 987 CD1 PHE A 110 62.143 9.314 -5.608 1.00 0.00 C ATOM 988 CD2 PHE A 110 60.031 10.264 -5.043 1.00 0.00 C ATOM 989 CE1 PHE A 110 62.586 10.547 -6.043 1.00 0.00 C ATOM 990 CE2 PHE A 110 60.469 11.501 -5.477 1.00 0.00 C ATOM 991 CZ PHE A 110 61.748 11.642 -5.976 1.00 0.00 C ATOM 0 H PHE A 110 58.757 7.128 -6.898 1.00 0.00 H new ATOM 0 HA PHE A 110 61.502 6.566 -5.977 1.00 0.00 H new ATOM 0 HB2 PHE A 110 59.355 7.897 -4.287 1.00 0.00 H new ATOM 0 HB3 PHE A 110 60.985 7.493 -3.785 1.00 0.00 H new ATOM 0 HD1 PHE A 110 62.803 8.461 -5.662 1.00 0.00 H new ATOM 0 HD2 PHE A 110 59.030 10.159 -4.652 1.00 0.00 H new ATOM 0 HE1 PHE A 110 63.587 10.655 -6.435 1.00 0.00 H new ATOM 0 HE2 PHE A 110 59.811 12.356 -5.426 1.00 0.00 H new ATOM 0 HZ PHE A 110 62.093 12.608 -6.314 1.00 0.00 H new ATOM 1001 N SER A 111 58.932 4.872 -6.002 1.00 0.00 N ATOM 1002 CA SER A 111 58.293 3.621 -5.625 1.00 0.00 C ATOM 1003 C SER A 111 59.184 2.422 -5.916 1.00 0.00 C ATOM 1004 O SER A 111 59.379 2.049 -7.070 1.00 0.00 O ATOM 1005 CB SER A 111 56.962 3.459 -6.361 1.00 0.00 C ATOM 1006 OG SER A 111 57.121 3.660 -7.754 1.00 0.00 O ATOM 0 H SER A 111 58.602 5.268 -6.882 1.00 0.00 H new ATOM 0 HA SER A 111 58.115 3.660 -4.550 1.00 0.00 H new ATOM 0 HB2 SER A 111 56.561 2.462 -6.178 1.00 0.00 H new ATOM 0 HB3 SER A 111 56.237 4.172 -5.968 1.00 0.00 H new ATOM 0 HG SER A 111 56.463 3.120 -8.240 1.00 0.00 H new ATOM 1012 N ASP A 112 59.690 1.790 -4.863 1.00 0.00 N ATOM 1013 CA ASP A 112 60.514 0.599 -5.022 1.00 0.00 C ATOM 1014 C ASP A 112 59.621 -0.638 -4.969 1.00 0.00 C ATOM 1015 O ASP A 112 60.072 -1.738 -4.655 1.00 0.00 O ATOM 1016 CB ASP A 112 61.583 0.529 -3.928 1.00 0.00 C ATOM 1017 CG ASP A 112 62.516 1.726 -3.952 1.00 0.00 C ATOM 1018 OD1 ASP A 112 62.056 2.830 -4.316 1.00 0.00 O ATOM 1019 OD2 ASP A 112 63.704 1.560 -3.608 1.00 0.00 O ATOM 0 H ASP A 112 59.545 2.081 -3.896 1.00 0.00 H new ATOM 0 HA ASP A 112 61.022 0.642 -5.986 1.00 0.00 H new ATOM 0 HB2 ASP A 112 61.098 0.469 -2.954 1.00 0.00 H new ATOM 0 HB3 ASP A 112 62.165 -0.384 -4.051 1.00 0.00 H new ATOM 1024 N CYS A 113 58.340 -0.426 -5.276 1.00 0.00 N ATOM 1025 CA CYS A 113 57.346 -1.485 -5.266 1.00 0.00 C ATOM 1026 C CYS A 113 56.700 -1.625 -6.640 1.00 0.00 C ATOM 1027 O CYS A 113 56.845 -0.753 -7.500 1.00 0.00 O ATOM 1028 CB CYS A 113 56.270 -1.166 -4.225 1.00 0.00 C ATOM 1029 SG CYS A 113 55.645 0.527 -4.303 1.00 0.00 S ATOM 0 H CYS A 113 57.969 0.487 -5.538 1.00 0.00 H new ATOM 0 HA CYS A 113 57.837 -2.424 -5.013 1.00 0.00 H new ATOM 0 HB2 CYS A 113 55.436 -1.856 -4.357 1.00 0.00 H new ATOM 0 HB3 CYS A 113 56.678 -1.346 -3.230 1.00 0.00 H new ATOM 0 HG CYS A 113 54.739 0.698 -3.386 1.00 0.00 H new ATOM 1035 N SER A 114 55.970 -2.715 -6.838 1.00 0.00 N ATOM 1036 CA SER A 114 55.291 -2.953 -8.104 1.00 0.00 C ATOM 1037 C SER A 114 54.192 -1.916 -8.348 1.00 0.00 C ATOM 1038 O SER A 114 53.552 -1.917 -9.398 1.00 0.00 O ATOM 1039 CB SER A 114 54.697 -4.362 -8.128 1.00 0.00 C ATOM 1040 OG SER A 114 53.607 -4.473 -7.230 1.00 0.00 O ATOM 0 H SER A 114 55.833 -3.446 -6.140 1.00 0.00 H new ATOM 0 HA SER A 114 56.027 -2.861 -8.902 1.00 0.00 H new ATOM 0 HB2 SER A 114 54.366 -4.603 -9.138 1.00 0.00 H new ATOM 0 HB3 SER A 114 55.465 -5.088 -7.863 1.00 0.00 H new ATOM 0 HG SER A 114 53.245 -5.383 -7.266 1.00 0.00 H new ATOM 1046 N SER A 115 53.980 -1.026 -7.376 1.00 0.00 N ATOM 1047 CA SER A 115 52.966 0.014 -7.499 1.00 0.00 C ATOM 1048 C SER A 115 53.239 0.885 -8.718 1.00 0.00 C ATOM 1049 O SER A 115 52.321 1.458 -9.299 1.00 0.00 O ATOM 1050 CB SER A 115 52.935 0.876 -6.235 1.00 0.00 C ATOM 1051 OG SER A 115 53.932 1.884 -6.281 1.00 0.00 O ATOM 0 H SER A 115 54.498 -1.008 -6.498 1.00 0.00 H new ATOM 0 HA SER A 115 51.995 -0.465 -7.624 1.00 0.00 H new ATOM 0 HB2 SER A 115 51.953 1.336 -6.129 1.00 0.00 H new ATOM 0 HB3 SER A 115 53.089 0.247 -5.358 1.00 0.00 H new ATOM 0 HG SER A 115 54.759 1.545 -5.880 1.00 0.00 H new ATOM 1057 N ALA A 116 54.515 0.977 -9.097 1.00 0.00 N ATOM 1058 CA ALA A 116 54.929 1.776 -10.251 1.00 0.00 C ATOM 1059 C ALA A 116 53.950 1.651 -11.418 1.00 0.00 C ATOM 1060 O ALA A 116 53.770 2.595 -12.187 1.00 0.00 O ATOM 1061 CB ALA A 116 56.323 1.363 -10.695 1.00 0.00 C ATOM 0 H ALA A 116 55.283 0.505 -8.619 1.00 0.00 H new ATOM 0 HA ALA A 116 54.936 2.821 -9.941 1.00 0.00 H new ATOM 0 HB1 ALA A 116 56.624 1.962 -11.554 1.00 0.00 H new ATOM 0 HB2 ALA A 116 57.027 1.521 -9.878 1.00 0.00 H new ATOM 0 HB3 ALA A 116 56.319 0.309 -10.972 1.00 0.00 H new ATOM 1067 N LYS A 117 53.313 0.490 -11.544 1.00 0.00 N ATOM 1068 CA LYS A 117 52.347 0.265 -12.618 1.00 0.00 C ATOM 1069 C LYS A 117 51.299 1.373 -12.636 1.00 0.00 C ATOM 1070 O LYS A 117 50.750 1.711 -13.685 1.00 0.00 O ATOM 1071 CB LYS A 117 51.668 -1.097 -12.448 1.00 0.00 C ATOM 1072 CG LYS A 117 51.102 -1.327 -11.055 1.00 0.00 C ATOM 1073 CD LYS A 117 49.636 -1.732 -11.103 1.00 0.00 C ATOM 1074 CE LYS A 117 48.821 -1.007 -10.044 1.00 0.00 C ATOM 1075 NZ LYS A 117 49.358 -1.234 -8.675 1.00 0.00 N ATOM 0 H LYS A 117 53.446 -0.306 -10.920 1.00 0.00 H new ATOM 0 HA LYS A 117 52.882 0.275 -13.568 1.00 0.00 H new ATOM 0 HB2 LYS A 117 50.863 -1.185 -13.177 1.00 0.00 H new ATOM 0 HB3 LYS A 117 52.389 -1.883 -12.672 1.00 0.00 H new ATOM 0 HG2 LYS A 117 51.678 -2.104 -10.552 1.00 0.00 H new ATOM 0 HG3 LYS A 117 51.209 -0.417 -10.464 1.00 0.00 H new ATOM 0 HD2 LYS A 117 49.229 -1.512 -12.090 1.00 0.00 H new ATOM 0 HD3 LYS A 117 49.550 -2.809 -10.955 1.00 0.00 H new ATOM 0 HE2 LYS A 117 48.816 0.062 -10.259 1.00 0.00 H new ATOM 0 HE3 LYS A 117 47.786 -1.346 -10.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 48.570 -1.293 -7.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 49.897 -2.123 -8.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 49.982 -0.445 -8.412 1.00 0.00 H new ATOM 1089 N ALA A 118 51.038 1.941 -11.464 1.00 0.00 N ATOM 1090 CA ALA A 118 50.069 3.021 -11.328 1.00 0.00 C ATOM 1091 C ALA A 118 50.666 4.202 -10.562 1.00 0.00 C ATOM 1092 O ALA A 118 49.959 5.150 -10.219 1.00 0.00 O ATOM 1093 CB ALA A 118 48.814 2.517 -10.633 1.00 0.00 C ATOM 0 H ALA A 118 51.487 1.669 -10.590 1.00 0.00 H new ATOM 0 HA ALA A 118 49.803 3.368 -12.327 1.00 0.00 H new ATOM 0 HB1 ALA A 118 48.098 3.333 -10.538 1.00 0.00 H new ATOM 0 HB2 ALA A 118 48.371 1.713 -11.220 1.00 0.00 H new ATOM 0 HB3 ALA A 118 49.072 2.143 -9.642 1.00 0.00 H new ATOM 1099 N ARG A 119 51.973 4.141 -10.297 1.00 0.00 N ATOM 1100 CA ARG A 119 52.661 5.203 -9.575 1.00 0.00 C ATOM 1101 C ARG A 119 52.200 5.259 -8.121 1.00 0.00 C ATOM 1102 O ARG A 119 51.932 6.334 -7.584 1.00 0.00 O ATOM 1103 CB ARG A 119 52.434 6.555 -10.259 1.00 0.00 C ATOM 1104 CG ARG A 119 52.401 6.480 -11.780 1.00 0.00 C ATOM 1105 CD ARG A 119 51.125 7.083 -12.347 1.00 0.00 C ATOM 1106 NE ARG A 119 51.398 8.002 -13.448 1.00 0.00 N ATOM 1107 CZ ARG A 119 51.938 7.631 -14.607 1.00 0.00 C ATOM 1108 NH1 ARG A 119 52.254 6.360 -14.824 1.00 0.00 N ATOM 1109 NH2 ARG A 119 52.158 8.533 -15.554 1.00 0.00 N ATOM 0 H ARG A 119 52.573 3.364 -10.574 1.00 0.00 H new ATOM 0 HA ARG A 119 53.728 4.983 -9.587 1.00 0.00 H new ATOM 0 HB2 ARG A 119 51.493 6.976 -9.905 1.00 0.00 H new ATOM 0 HB3 ARG A 119 53.225 7.242 -9.956 1.00 0.00 H new ATOM 0 HG2 ARG A 119 53.264 7.005 -12.189 1.00 0.00 H new ATOM 0 HG3 ARG A 119 52.483 5.440 -12.095 1.00 0.00 H new ATOM 0 HD2 ARG A 119 50.470 6.284 -12.695 1.00 0.00 H new ATOM 0 HD3 ARG A 119 50.591 7.612 -11.557 1.00 0.00 H new ATOM 0 HE ARG A 119 51.161 8.986 -13.322 1.00 0.00 H new ATOM 0 HH11 ARG A 119 52.083 5.661 -14.101 1.00 0.00 H new ATOM 0 HH12 ARG A 119 52.667 6.082 -15.714 1.00 0.00 H new ATOM 0 HH21 ARG A 119 51.914 9.510 -15.394 1.00 0.00 H new ATOM 0 HH22 ARG A 119 52.572 8.249 -16.442 1.00 0.00 H new ATOM 1123 N GLY A 120 52.116 4.091 -7.490 1.00 0.00 N ATOM 1124 CA GLY A 120 51.693 4.024 -6.103 1.00 0.00 C ATOM 1125 C GLY A 120 50.203 3.787 -5.952 1.00 0.00 C ATOM 1126 O GLY A 120 49.769 3.084 -5.038 1.00 0.00 O ATOM 0 H GLY A 120 52.334 3.190 -7.915 1.00 0.00 H new ATOM 0 HA2 GLY A 120 52.236 3.223 -5.601 1.00 0.00 H new ATOM 0 HA3 GLY A 120 51.961 4.954 -5.601 1.00 0.00 H new ATOM 1130 N ASP A 121 49.415 4.375 -6.846 1.00 0.00 N ATOM 1131 CA ASP A 121 47.965 4.224 -6.804 1.00 0.00 C ATOM 1132 C ASP A 121 47.563 2.754 -6.897 1.00 0.00 C ATOM 1133 O ASP A 121 47.741 2.117 -7.934 1.00 0.00 O ATOM 1134 CB ASP A 121 47.317 5.014 -7.941 1.00 0.00 C ATOM 1135 CG ASP A 121 45.802 4.990 -7.873 1.00 0.00 C ATOM 1136 OD1 ASP A 121 45.257 5.085 -6.752 1.00 0.00 O ATOM 1137 OD2 ASP A 121 45.160 4.876 -8.938 1.00 0.00 O ATOM 0 H ASP A 121 49.756 4.961 -7.608 1.00 0.00 H new ATOM 0 HA ASP A 121 47.613 4.616 -5.850 1.00 0.00 H new ATOM 0 HB2 ASP A 121 47.663 6.047 -7.905 1.00 0.00 H new ATOM 0 HB3 ASP A 121 47.641 4.602 -8.897 1.00 0.00 H new ATOM 1142 N LEU A 122 47.019 2.223 -5.806 1.00 0.00 N ATOM 1143 CA LEU A 122 46.591 0.829 -5.767 1.00 0.00 C ATOM 1144 C LEU A 122 45.084 0.710 -5.981 1.00 0.00 C ATOM 1145 O LEU A 122 44.479 -0.304 -5.635 1.00 0.00 O ATOM 1146 CB LEU A 122 46.974 0.194 -4.428 1.00 0.00 C ATOM 1147 CG LEU A 122 48.387 0.510 -3.939 1.00 0.00 C ATOM 1148 CD1 LEU A 122 48.651 -0.165 -2.602 1.00 0.00 C ATOM 1149 CD2 LEU A 122 49.417 0.073 -4.972 1.00 0.00 C ATOM 0 H LEU A 122 46.864 2.736 -4.938 1.00 0.00 H new ATOM 0 HA LEU A 122 47.097 0.301 -6.575 1.00 0.00 H new ATOM 0 HB2 LEU A 122 46.262 0.524 -3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 122 46.870 -0.888 -4.514 1.00 0.00 H new ATOM 0 HG LEU A 122 48.473 1.588 -3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 122 49.662 0.071 -2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 122 47.933 0.194 -1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 122 48.548 -1.244 -2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 122 50.418 0.305 -4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 122 49.332 -1.001 -5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 122 49.240 0.601 -5.909 1.00 0.00 H new ATOM 1161 N GLY A 123 44.481 1.751 -6.551 1.00 0.00 N ATOM 1162 CA GLY A 123 43.051 1.735 -6.796 1.00 0.00 C ATOM 1163 C GLY A 123 42.250 1.491 -5.531 1.00 0.00 C ATOM 1164 O GLY A 123 42.768 1.642 -4.425 1.00 0.00 O ATOM 0 H GLY A 123 44.957 2.603 -6.847 1.00 0.00 H new ATOM 0 HA2 GLY A 123 42.750 2.686 -7.236 1.00 0.00 H new ATOM 0 HA3 GLY A 123 42.819 0.959 -7.525 1.00 0.00 H new ATOM 1168 N ALA A 124 40.989 1.110 -5.695 1.00 0.00 N ATOM 1169 CA ALA A 124 40.120 0.842 -4.556 1.00 0.00 C ATOM 1170 C ALA A 124 40.264 -0.602 -4.084 1.00 0.00 C ATOM 1171 O ALA A 124 40.020 -1.540 -4.841 1.00 0.00 O ATOM 1172 CB ALA A 124 38.672 1.138 -4.915 1.00 0.00 C ATOM 0 H ALA A 124 40.546 0.980 -6.604 1.00 0.00 H new ATOM 0 HA ALA A 124 40.422 1.497 -3.739 1.00 0.00 H new ATOM 0 HB1 ALA A 124 38.035 0.933 -4.055 1.00 0.00 H new ATOM 0 HB2 ALA A 124 38.574 2.186 -5.198 1.00 0.00 H new ATOM 0 HB3 ALA A 124 38.368 0.507 -5.750 1.00 0.00 H new ATOM 1178 N PHE A 125 40.661 -0.774 -2.827 1.00 0.00 N ATOM 1179 CA PHE A 125 40.834 -2.105 -2.256 1.00 0.00 C ATOM 1180 C PHE A 125 39.922 -2.307 -1.057 1.00 0.00 C ATOM 1181 O PHE A 125 39.168 -1.413 -0.676 1.00 0.00 O ATOM 1182 CB PHE A 125 42.283 -2.333 -1.836 1.00 0.00 C ATOM 1183 CG PHE A 125 42.876 -1.183 -1.073 1.00 0.00 C ATOM 1184 CD1 PHE A 125 43.296 -0.039 -1.729 1.00 0.00 C ATOM 1185 CD2 PHE A 125 43.008 -1.249 0.304 1.00 0.00 C ATOM 1186 CE1 PHE A 125 43.838 1.020 -1.025 1.00 0.00 C ATOM 1187 CE2 PHE A 125 43.550 -0.196 1.013 1.00 0.00 C ATOM 1188 CZ PHE A 125 43.966 0.941 0.349 1.00 0.00 C ATOM 0 H PHE A 125 40.869 -0.009 -2.185 1.00 0.00 H new ATOM 0 HA PHE A 125 40.569 -2.828 -3.028 1.00 0.00 H new ATOM 0 HB2 PHE A 125 42.337 -3.232 -1.222 1.00 0.00 H new ATOM 0 HB3 PHE A 125 42.886 -2.517 -2.725 1.00 0.00 H new ATOM 0 HD1 PHE A 125 43.199 0.027 -2.803 1.00 0.00 H new ATOM 0 HD2 PHE A 125 42.683 -2.135 0.829 1.00 0.00 H new ATOM 0 HE1 PHE A 125 44.161 1.908 -1.548 1.00 0.00 H new ATOM 0 HE2 PHE A 125 43.649 -0.261 2.086 1.00 0.00 H new ATOM 0 HZ PHE A 125 44.390 1.766 0.902 1.00 0.00 H new ATOM 1198 N SER A 126 40.005 -3.488 -0.465 1.00 0.00 N ATOM 1199 CA SER A 126 39.191 -3.819 0.699 1.00 0.00 C ATOM 1200 C SER A 126 40.058 -3.983 1.941 1.00 0.00 C ATOM 1201 O SER A 126 41.095 -4.647 1.906 1.00 0.00 O ATOM 1202 CB SER A 126 38.395 -5.101 0.445 1.00 0.00 C ATOM 1203 OG SER A 126 37.742 -5.055 -0.810 1.00 0.00 O ATOM 0 H SER A 126 40.628 -4.236 -0.770 1.00 0.00 H new ATOM 0 HA SER A 126 38.496 -2.997 0.869 1.00 0.00 H new ATOM 0 HB2 SER A 126 39.064 -5.961 0.479 1.00 0.00 H new ATOM 0 HB3 SER A 126 37.659 -5.238 1.237 1.00 0.00 H new ATOM 0 HG SER A 126 37.242 -5.886 -0.949 1.00 0.00 H new ATOM 1209 N ARG A 127 39.629 -3.370 3.039 1.00 0.00 N ATOM 1210 CA ARG A 127 40.368 -3.442 4.298 1.00 0.00 C ATOM 1211 C ARG A 127 40.771 -4.878 4.628 1.00 0.00 C ATOM 1212 O ARG A 127 39.980 -5.644 5.179 1.00 0.00 O ATOM 1213 CB ARG A 127 39.529 -2.865 5.441 1.00 0.00 C ATOM 1214 CG ARG A 127 38.127 -3.448 5.527 1.00 0.00 C ATOM 1215 CD ARG A 127 37.686 -3.633 6.971 1.00 0.00 C ATOM 1216 NE ARG A 127 37.333 -2.363 7.605 1.00 0.00 N ATOM 1217 CZ ARG A 127 36.157 -1.759 7.452 1.00 0.00 C ATOM 1218 NH1 ARG A 127 35.221 -2.297 6.680 1.00 0.00 N ATOM 1219 NH2 ARG A 127 35.916 -0.612 8.071 1.00 0.00 N ATOM 0 H ARG A 127 38.773 -2.817 3.084 1.00 0.00 H new ATOM 0 HA ARG A 127 41.276 -2.851 4.181 1.00 0.00 H new ATOM 0 HB2 ARG A 127 40.045 -3.043 6.384 1.00 0.00 H new ATOM 0 HB3 ARG A 127 39.456 -1.785 5.317 1.00 0.00 H new ATOM 0 HG2 ARG A 127 37.426 -2.790 5.013 1.00 0.00 H new ATOM 0 HG3 ARG A 127 38.099 -4.408 5.011 1.00 0.00 H new ATOM 0 HD2 ARG A 127 36.829 -4.305 7.005 1.00 0.00 H new ATOM 0 HD3 ARG A 127 38.487 -4.110 7.536 1.00 0.00 H new ATOM 0 HE ARG A 127 38.029 -1.914 8.200 1.00 0.00 H new ATOM 0 HH11 ARG A 127 35.401 -3.179 6.200 1.00 0.00 H new ATOM 0 HH12 ARG A 127 34.322 -1.829 6.567 1.00 0.00 H new ATOM 0 HH21 ARG A 127 36.632 -0.192 8.664 1.00 0.00 H new ATOM 0 HH22 ARG A 127 35.015 -0.149 7.954 1.00 0.00 H new ATOM 1233 N GLY A 128 42.009 -5.236 4.295 1.00 0.00 N ATOM 1234 CA GLY A 128 42.491 -6.577 4.571 1.00 0.00 C ATOM 1235 C GLY A 128 43.357 -7.154 3.463 1.00 0.00 C ATOM 1236 O GLY A 128 43.766 -8.312 3.532 1.00 0.00 O ATOM 0 H GLY A 128 42.685 -4.622 3.840 1.00 0.00 H new ATOM 0 HA2 GLY A 128 43.064 -6.564 5.498 1.00 0.00 H new ATOM 0 HA3 GLY A 128 41.637 -7.235 4.733 1.00 0.00 H new ATOM 1240 N GLN A 129 43.635 -6.355 2.437 1.00 0.00 N ATOM 1241 CA GLN A 129 44.452 -6.811 1.317 1.00 0.00 C ATOM 1242 C GLN A 129 45.939 -6.599 1.589 1.00 0.00 C ATOM 1243 O GLN A 129 46.732 -7.538 1.516 1.00 0.00 O ATOM 1244 CB GLN A 129 44.048 -6.080 0.036 1.00 0.00 C ATOM 1245 CG GLN A 129 42.624 -6.369 -0.408 1.00 0.00 C ATOM 1246 CD GLN A 129 42.369 -7.848 -0.623 1.00 0.00 C ATOM 1247 OE1 GLN A 129 42.047 -8.556 0.453 1.00 0.00 O flip ATOM 1248 NE2 GLN A 129 42.460 -8.350 -1.744 1.00 0.00 N flip ATOM 0 H GLN A 129 43.308 -5.392 2.358 1.00 0.00 H new ATOM 0 HA GLN A 129 44.279 -7.880 1.193 1.00 0.00 H new ATOM 0 HB2 GLN A 129 44.161 -5.007 0.190 1.00 0.00 H new ATOM 0 HB3 GLN A 129 44.733 -6.361 -0.764 1.00 0.00 H new ATOM 0 HG2 GLN A 129 41.930 -5.990 0.342 1.00 0.00 H new ATOM 0 HG3 GLN A 129 42.420 -5.831 -1.333 1.00 0.00 H new ATOM 0 HE21 GLN A 129 42.710 -7.769 -2.544 1.00 0.00 H new ATOM 0 HE22 GLN A 129 42.285 -9.347 -1.872 1.00 0.00 H new ATOM 1257 N MET A 130 46.313 -5.360 1.892 1.00 0.00 N ATOM 1258 CA MET A 130 47.710 -5.026 2.164 1.00 0.00 C ATOM 1259 C MET A 130 48.062 -5.280 3.627 1.00 0.00 C ATOM 1260 O MET A 130 47.190 -5.581 4.442 1.00 0.00 O ATOM 1261 CB MET A 130 47.981 -3.562 1.811 1.00 0.00 C ATOM 1262 CG MET A 130 47.563 -3.192 0.397 1.00 0.00 C ATOM 1263 SD MET A 130 48.433 -4.152 -0.858 1.00 0.00 S ATOM 1264 CE MET A 130 47.073 -4.634 -1.919 1.00 0.00 C ATOM 0 H MET A 130 45.670 -4.570 1.956 1.00 0.00 H new ATOM 0 HA MET A 130 48.336 -5.668 1.545 1.00 0.00 H new ATOM 0 HB2 MET A 130 47.452 -2.922 2.517 1.00 0.00 H new ATOM 0 HB3 MET A 130 49.045 -3.358 1.932 1.00 0.00 H new ATOM 0 HG2 MET A 130 46.490 -3.346 0.287 1.00 0.00 H new ATOM 0 HG3 MET A 130 47.751 -2.131 0.233 1.00 0.00 H new ATOM 0 HE1 MET A 130 47.410 -4.656 -2.955 1.00 0.00 H new ATOM 0 HE2 MET A 130 46.720 -5.624 -1.631 1.00 0.00 H new ATOM 0 HE3 MET A 130 46.260 -3.915 -1.817 1.00 0.00 H new ATOM 1274 N GLN A 131 49.350 -5.157 3.952 1.00 0.00 N ATOM 1275 CA GLN A 131 49.822 -5.374 5.320 1.00 0.00 C ATOM 1276 C GLN A 131 48.925 -4.656 6.328 1.00 0.00 C ATOM 1277 O GLN A 131 48.353 -3.608 6.031 1.00 0.00 O ATOM 1278 CB GLN A 131 51.278 -4.911 5.478 1.00 0.00 C ATOM 1279 CG GLN A 131 51.604 -3.619 4.745 1.00 0.00 C ATOM 1280 CD GLN A 131 52.944 -3.672 4.036 1.00 0.00 C ATOM 1281 OE1 GLN A 131 53.536 -4.740 3.879 1.00 0.00 O ATOM 1282 NE2 GLN A 131 53.428 -2.515 3.600 1.00 0.00 N ATOM 0 H GLN A 131 50.083 -4.909 3.288 1.00 0.00 H new ATOM 0 HA GLN A 131 49.777 -6.444 5.521 1.00 0.00 H new ATOM 0 HB2 GLN A 131 51.492 -4.778 6.538 1.00 0.00 H new ATOM 0 HB3 GLN A 131 51.939 -5.698 5.116 1.00 0.00 H new ATOM 0 HG2 GLN A 131 50.820 -3.411 4.017 1.00 0.00 H new ATOM 0 HG3 GLN A 131 51.606 -2.793 5.456 1.00 0.00 H new ATOM 0 HE21 GLN A 131 52.904 -1.653 3.752 1.00 0.00 H new ATOM 0 HE22 GLN A 131 54.324 -2.488 3.113 1.00 0.00 H new ATOM 1291 N LYS A 132 48.797 -5.240 7.516 1.00 0.00 N ATOM 1292 CA LYS A 132 47.957 -4.678 8.572 1.00 0.00 C ATOM 1293 C LYS A 132 48.162 -3.169 8.731 1.00 0.00 C ATOM 1294 O LYS A 132 47.235 -2.389 8.514 1.00 0.00 O ATOM 1295 CB LYS A 132 48.232 -5.387 9.899 1.00 0.00 C ATOM 1296 CG LYS A 132 47.116 -6.329 10.327 1.00 0.00 C ATOM 1297 CD LYS A 132 47.637 -7.732 10.594 1.00 0.00 C ATOM 1298 CE LYS A 132 48.075 -8.418 9.310 1.00 0.00 C ATOM 1299 NZ LYS A 132 48.664 -9.762 9.567 1.00 0.00 N ATOM 0 H LYS A 132 49.267 -6.108 7.774 1.00 0.00 H new ATOM 0 HA LYS A 132 46.919 -4.839 8.281 1.00 0.00 H new ATOM 0 HB2 LYS A 132 49.161 -5.951 9.815 1.00 0.00 H new ATOM 0 HB3 LYS A 132 48.383 -4.639 10.677 1.00 0.00 H new ATOM 0 HG2 LYS A 132 46.637 -5.941 11.226 1.00 0.00 H new ATOM 0 HG3 LYS A 132 46.353 -6.366 9.550 1.00 0.00 H new ATOM 0 HD2 LYS A 132 48.477 -7.683 11.287 1.00 0.00 H new ATOM 0 HD3 LYS A 132 46.860 -8.324 11.077 1.00 0.00 H new ATOM 0 HE2 LYS A 132 47.219 -8.519 8.643 1.00 0.00 H new ATOM 0 HE3 LYS A 132 48.807 -7.794 8.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 48.949 -10.194 8.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 49.497 -9.664 10.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 47.958 -10.367 10.033 1.00 0.00 H new ATOM 1313 N PRO A 133 49.374 -2.735 9.118 1.00 0.00 N ATOM 1314 CA PRO A 133 49.676 -1.314 9.309 1.00 0.00 C ATOM 1315 C PRO A 133 49.270 -0.469 8.108 1.00 0.00 C ATOM 1316 O PRO A 133 48.974 0.717 8.245 1.00 0.00 O ATOM 1317 CB PRO A 133 51.198 -1.278 9.513 1.00 0.00 C ATOM 1318 CG PRO A 133 51.689 -2.645 9.158 1.00 0.00 C ATOM 1319 CD PRO A 133 50.539 -3.579 9.406 1.00 0.00 C ATOM 0 HA PRO A 133 49.122 -0.895 10.149 1.00 0.00 H new ATOM 0 HB2 PRO A 133 51.660 -0.520 8.880 1.00 0.00 H new ATOM 0 HB3 PRO A 133 51.449 -1.028 10.544 1.00 0.00 H new ATOM 0 HG2 PRO A 133 52.007 -2.686 8.116 1.00 0.00 H new ATOM 0 HG3 PRO A 133 52.552 -2.919 9.765 1.00 0.00 H new ATOM 0 HD2 PRO A 133 50.578 -4.452 8.755 1.00 0.00 H new ATOM 0 HD3 PRO A 133 50.529 -3.947 10.432 1.00 0.00 H new ATOM 1327 N PHE A 134 49.246 -1.088 6.936 1.00 0.00 N ATOM 1328 CA PHE A 134 48.859 -0.392 5.717 1.00 0.00 C ATOM 1329 C PHE A 134 47.405 0.037 5.801 1.00 0.00 C ATOM 1330 O PHE A 134 47.088 1.225 5.784 1.00 0.00 O ATOM 1331 CB PHE A 134 49.052 -1.300 4.504 1.00 0.00 C ATOM 1332 CG PHE A 134 49.091 -0.564 3.195 1.00 0.00 C ATOM 1333 CD1 PHE A 134 50.289 -0.091 2.686 1.00 0.00 C ATOM 1334 CD2 PHE A 134 47.926 -0.346 2.476 1.00 0.00 C ATOM 1335 CE1 PHE A 134 50.325 0.588 1.483 1.00 0.00 C ATOM 1336 CE2 PHE A 134 47.954 0.333 1.272 1.00 0.00 C ATOM 1337 CZ PHE A 134 49.153 0.802 0.775 1.00 0.00 C ATOM 0 H PHE A 134 49.490 -2.070 6.803 1.00 0.00 H new ATOM 0 HA PHE A 134 49.490 0.490 5.607 1.00 0.00 H new ATOM 0 HB2 PHE A 134 49.981 -1.858 4.624 1.00 0.00 H new ATOM 0 HB3 PHE A 134 48.243 -2.030 4.476 1.00 0.00 H new ATOM 0 HD1 PHE A 134 51.205 -0.255 3.235 1.00 0.00 H new ATOM 0 HD2 PHE A 134 46.985 -0.711 2.861 1.00 0.00 H new ATOM 0 HE1 PHE A 134 51.265 0.951 1.095 1.00 0.00 H new ATOM 0 HE2 PHE A 134 47.039 0.496 0.721 1.00 0.00 H new ATOM 0 HZ PHE A 134 49.178 1.335 -0.164 1.00 0.00 H new ATOM 1347 N GLU A 135 46.532 -0.954 5.890 1.00 0.00 N ATOM 1348 CA GLU A 135 45.096 -0.718 5.974 1.00 0.00 C ATOM 1349 C GLU A 135 44.748 0.231 7.118 1.00 0.00 C ATOM 1350 O GLU A 135 44.053 1.223 6.916 1.00 0.00 O ATOM 1351 CB GLU A 135 44.363 -2.044 6.163 1.00 0.00 C ATOM 1352 CG GLU A 135 43.561 -2.469 4.947 1.00 0.00 C ATOM 1353 CD GLU A 135 44.441 -2.935 3.804 1.00 0.00 C ATOM 1354 OE1 GLU A 135 45.608 -3.297 4.062 1.00 0.00 O ATOM 1355 OE2 GLU A 135 43.963 -2.938 2.649 1.00 0.00 O ATOM 0 H GLU A 135 46.795 -1.939 5.906 1.00 0.00 H new ATOM 0 HA GLU A 135 44.779 -0.251 5.042 1.00 0.00 H new ATOM 0 HB2 GLU A 135 45.089 -2.821 6.400 1.00 0.00 H new ATOM 0 HB3 GLU A 135 43.694 -1.962 7.020 1.00 0.00 H new ATOM 0 HG2 GLU A 135 42.880 -3.273 5.228 1.00 0.00 H new ATOM 0 HG3 GLU A 135 42.947 -1.634 4.611 1.00 0.00 H new ATOM 1362 N ASP A 136 45.221 -0.082 8.319 1.00 0.00 N ATOM 1363 CA ASP A 136 44.941 0.749 9.486 1.00 0.00 C ATOM 1364 C ASP A 136 45.261 2.214 9.207 1.00 0.00 C ATOM 1365 O ASP A 136 44.391 3.077 9.308 1.00 0.00 O ATOM 1366 CB ASP A 136 45.740 0.259 10.697 1.00 0.00 C ATOM 1367 CG ASP A 136 44.905 0.208 11.961 1.00 0.00 C ATOM 1368 OD1 ASP A 136 44.773 1.255 12.629 1.00 0.00 O ATOM 1369 OD2 ASP A 136 44.383 -0.880 12.284 1.00 0.00 O ATOM 0 H ASP A 136 45.798 -0.901 8.511 1.00 0.00 H new ATOM 0 HA ASP A 136 43.877 0.667 9.707 1.00 0.00 H new ATOM 0 HB2 ASP A 136 46.138 -0.734 10.488 1.00 0.00 H new ATOM 0 HB3 ASP A 136 46.594 0.918 10.856 1.00 0.00 H new ATOM 1374 N ALA A 137 46.512 2.488 8.850 1.00 0.00 N ATOM 1375 CA ALA A 137 46.936 3.849 8.552 1.00 0.00 C ATOM 1376 C ALA A 137 46.100 4.439 7.421 1.00 0.00 C ATOM 1377 O ALA A 137 45.610 5.564 7.517 1.00 0.00 O ATOM 1378 CB ALA A 137 48.415 3.876 8.194 1.00 0.00 C ATOM 0 H ALA A 137 47.247 1.787 8.761 1.00 0.00 H new ATOM 0 HA ALA A 137 46.783 4.460 9.442 1.00 0.00 H new ATOM 0 HB1 ALA A 137 48.717 4.900 7.974 1.00 0.00 H new ATOM 0 HB2 ALA A 137 48.999 3.497 9.033 1.00 0.00 H new ATOM 0 HB3 ALA A 137 48.589 3.250 7.319 1.00 0.00 H new ATOM 1384 N SER A 138 45.931 3.664 6.355 1.00 0.00 N ATOM 1385 CA SER A 138 45.144 4.098 5.206 1.00 0.00 C ATOM 1386 C SER A 138 43.719 4.433 5.633 1.00 0.00 C ATOM 1387 O SER A 138 43.237 5.549 5.431 1.00 0.00 O ATOM 1388 CB SER A 138 45.122 3.001 4.137 1.00 0.00 C ATOM 1389 OG SER A 138 45.829 3.404 2.977 1.00 0.00 O ATOM 0 H SER A 138 46.330 2.730 6.263 1.00 0.00 H new ATOM 0 HA SER A 138 45.606 4.993 4.789 1.00 0.00 H new ATOM 0 HB2 SER A 138 45.565 2.089 4.538 1.00 0.00 H new ATOM 0 HB3 SER A 138 44.091 2.766 3.874 1.00 0.00 H new ATOM 0 HG SER A 138 45.263 3.994 2.437 1.00 0.00 H new ATOM 1395 N PHE A 139 43.054 3.447 6.222 1.00 0.00 N ATOM 1396 CA PHE A 139 41.683 3.599 6.687 1.00 0.00 C ATOM 1397 C PHE A 139 41.591 4.550 7.880 1.00 0.00 C ATOM 1398 O PHE A 139 40.495 4.927 8.296 1.00 0.00 O ATOM 1399 CB PHE A 139 41.121 2.229 7.065 1.00 0.00 C ATOM 1400 CG PHE A 139 40.540 1.482 5.898 1.00 0.00 C ATOM 1401 CD1 PHE A 139 41.366 0.991 4.897 1.00 0.00 C ATOM 1402 CD2 PHE A 139 39.174 1.270 5.798 1.00 0.00 C ATOM 1403 CE1 PHE A 139 40.839 0.303 3.820 1.00 0.00 C ATOM 1404 CE2 PHE A 139 38.642 0.583 4.724 1.00 0.00 C ATOM 1405 CZ PHE A 139 39.475 0.098 3.733 1.00 0.00 C ATOM 0 H PHE A 139 43.450 2.522 6.390 1.00 0.00 H new ATOM 0 HA PHE A 139 41.096 4.032 5.877 1.00 0.00 H new ATOM 0 HB2 PHE A 139 41.914 1.630 7.513 1.00 0.00 H new ATOM 0 HB3 PHE A 139 40.351 2.357 7.825 1.00 0.00 H new ATOM 0 HD1 PHE A 139 42.433 1.148 4.960 1.00 0.00 H new ATOM 0 HD2 PHE A 139 38.518 1.646 6.569 1.00 0.00 H new ATOM 0 HE1 PHE A 139 41.493 -0.074 3.047 1.00 0.00 H new ATOM 0 HE2 PHE A 139 37.576 0.425 4.659 1.00 0.00 H new ATOM 0 HZ PHE A 139 39.061 -0.440 2.893 1.00 0.00 H new ATOM 1415 N ALA A 140 42.738 4.936 8.434 1.00 0.00 N ATOM 1416 CA ALA A 140 42.763 5.838 9.579 1.00 0.00 C ATOM 1417 C ALA A 140 42.970 7.290 9.152 1.00 0.00 C ATOM 1418 O ALA A 140 42.681 8.213 9.912 1.00 0.00 O ATOM 1419 CB ALA A 140 43.850 5.419 10.556 1.00 0.00 C ATOM 0 H ALA A 140 43.658 4.639 8.109 1.00 0.00 H new ATOM 0 HA ALA A 140 41.793 5.773 10.071 1.00 0.00 H new ATOM 0 HB1 ALA A 140 43.858 6.101 11.406 1.00 0.00 H new ATOM 0 HB2 ALA A 140 43.654 4.405 10.906 1.00 0.00 H new ATOM 0 HB3 ALA A 140 44.819 5.450 10.058 1.00 0.00 H new ATOM 1425 N LEU A 141 43.476 7.493 7.936 1.00 0.00 N ATOM 1426 CA LEU A 141 43.717 8.842 7.434 1.00 0.00 C ATOM 1427 C LEU A 141 42.456 9.434 6.814 1.00 0.00 C ATOM 1428 O LEU A 141 41.477 8.727 6.574 1.00 0.00 O ATOM 1429 CB LEU A 141 44.853 8.841 6.401 1.00 0.00 C ATOM 1430 CG LEU A 141 46.216 9.332 6.905 1.00 0.00 C ATOM 1431 CD1 LEU A 141 46.061 10.481 7.891 1.00 0.00 C ATOM 1432 CD2 LEU A 141 46.990 8.190 7.541 1.00 0.00 C ATOM 0 H LEU A 141 43.725 6.747 7.287 1.00 0.00 H new ATOM 0 HA LEU A 141 44.008 9.461 8.282 1.00 0.00 H new ATOM 0 HB2 LEU A 141 44.972 7.826 6.021 1.00 0.00 H new ATOM 0 HB3 LEU A 141 44.553 9.464 5.558 1.00 0.00 H new ATOM 0 HG LEU A 141 46.776 9.701 6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 141 47.045 10.806 8.229 1.00 0.00 H new ATOM 0 HD12 LEU A 141 45.552 11.313 7.404 1.00 0.00 H new ATOM 0 HD13 LEU A 141 45.475 10.149 8.748 1.00 0.00 H new ATOM 0 HD21 LEU A 141 47.955 8.556 7.893 1.00 0.00 H new ATOM 0 HD22 LEU A 141 46.424 7.791 8.383 1.00 0.00 H new ATOM 0 HD23 LEU A 141 47.148 7.402 6.804 1.00 0.00 H new ATOM 1444 N ARG A 142 42.489 10.738 6.558 1.00 0.00 N ATOM 1445 CA ARG A 142 41.353 11.434 5.964 1.00 0.00 C ATOM 1446 C ARG A 142 41.551 11.617 4.461 1.00 0.00 C ATOM 1447 O ARG A 142 42.598 11.273 3.915 1.00 0.00 O ATOM 1448 CB ARG A 142 41.154 12.794 6.636 1.00 0.00 C ATOM 1449 CG ARG A 142 40.226 12.745 7.838 1.00 0.00 C ATOM 1450 CD ARG A 142 40.057 14.118 8.470 1.00 0.00 C ATOM 1451 NE ARG A 142 40.977 14.324 9.588 1.00 0.00 N ATOM 1452 CZ ARG A 142 40.837 15.289 10.494 1.00 0.00 C ATOM 1453 NH1 ARG A 142 39.818 16.137 10.419 1.00 0.00 N ATOM 1454 NH2 ARG A 142 41.718 15.407 11.477 1.00 0.00 N ATOM 0 H ARG A 142 43.292 11.335 6.753 1.00 0.00 H new ATOM 0 HA ARG A 142 40.462 10.826 6.122 1.00 0.00 H new ATOM 0 HB2 ARG A 142 42.123 13.180 6.951 1.00 0.00 H new ATOM 0 HB3 ARG A 142 40.753 13.496 5.905 1.00 0.00 H new ATOM 0 HG2 ARG A 142 39.252 12.362 7.532 1.00 0.00 H new ATOM 0 HG3 ARG A 142 40.623 12.050 8.577 1.00 0.00 H new ATOM 0 HD2 ARG A 142 40.225 14.887 7.716 1.00 0.00 H new ATOM 0 HD3 ARG A 142 39.031 14.232 8.819 1.00 0.00 H new ATOM 0 HE ARG A 142 41.772 13.691 9.679 1.00 0.00 H new ATOM 0 HH11 ARG A 142 39.137 16.051 9.664 1.00 0.00 H new ATOM 0 HH12 ARG A 142 39.716 16.874 11.116 1.00 0.00 H new ATOM 0 HH21 ARG A 142 42.503 14.759 11.539 1.00 0.00 H new ATOM 0 HH22 ARG A 142 41.611 16.146 12.172 1.00 0.00 H new ATOM 1468 N THR A 143 40.534 12.160 3.798 1.00 0.00 N ATOM 1469 CA THR A 143 40.593 12.388 2.359 1.00 0.00 C ATOM 1470 C THR A 143 41.732 13.336 1.998 1.00 0.00 C ATOM 1471 O THR A 143 41.662 14.535 2.264 1.00 0.00 O ATOM 1472 CB THR A 143 39.265 12.959 1.856 1.00 0.00 C ATOM 1473 OG1 THR A 143 38.173 12.258 2.422 1.00 0.00 O ATOM 1474 CG2 THR A 143 39.119 12.900 0.351 1.00 0.00 C ATOM 0 H THR A 143 39.659 12.450 4.235 1.00 0.00 H new ATOM 0 HA THR A 143 40.778 11.428 1.876 1.00 0.00 H new ATOM 0 HB THR A 143 39.265 14.005 2.163 1.00 0.00 H new ATOM 0 HG1 THR A 143 37.333 12.638 2.090 1.00 0.00 H new ATOM 0 HG21 THR A 143 38.156 13.321 0.062 1.00 0.00 H new ATOM 0 HG22 THR A 143 39.920 13.474 -0.115 1.00 0.00 H new ATOM 0 HG23 THR A 143 39.176 11.863 0.020 1.00 0.00 H new ATOM 1482 N GLY A 144 42.777 12.791 1.384 1.00 0.00 N ATOM 1483 CA GLY A 144 43.913 13.604 0.990 1.00 0.00 C ATOM 1484 C GLY A 144 44.972 13.693 2.071 1.00 0.00 C ATOM 1485 O GLY A 144 45.706 14.678 2.149 1.00 0.00 O ATOM 0 H GLY A 144 42.858 11.801 1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 144 44.357 13.187 0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 144 43.568 14.608 0.742 1.00 0.00 H new ATOM 1489 N GLU A 145 45.054 12.663 2.906 1.00 0.00 N ATOM 1490 CA GLU A 145 46.036 12.633 3.985 1.00 0.00 C ATOM 1491 C GLU A 145 47.116 11.595 3.706 1.00 0.00 C ATOM 1492 O GLU A 145 46.991 10.792 2.781 1.00 0.00 O ATOM 1493 CB GLU A 145 45.357 12.327 5.320 1.00 0.00 C ATOM 1494 CG GLU A 145 44.651 13.526 5.932 1.00 0.00 C ATOM 1495 CD GLU A 145 44.784 13.576 7.442 1.00 0.00 C ATOM 1496 OE1 GLU A 145 45.847 13.176 7.959 1.00 0.00 O ATOM 1497 OE2 GLU A 145 43.823 14.017 8.108 1.00 0.00 O ATOM 0 H GLU A 145 44.454 11.839 2.857 1.00 0.00 H new ATOM 0 HA GLU A 145 46.502 13.617 4.041 1.00 0.00 H new ATOM 0 HB2 GLU A 145 44.633 11.525 5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 145 46.105 11.958 6.022 1.00 0.00 H new ATOM 0 HG2 GLU A 145 45.061 14.441 5.505 1.00 0.00 H new ATOM 0 HG3 GLU A 145 43.595 13.495 5.665 1.00 0.00 H new ATOM 1504 N MET A 146 48.175 11.617 4.508 1.00 0.00 N ATOM 1505 CA MET A 146 49.277 10.677 4.344 1.00 0.00 C ATOM 1506 C MET A 146 49.550 9.925 5.639 1.00 0.00 C ATOM 1507 O MET A 146 49.429 10.477 6.733 1.00 0.00 O ATOM 1508 CB MET A 146 50.537 11.411 3.884 1.00 0.00 C ATOM 1509 CG MET A 146 51.092 10.892 2.566 1.00 0.00 C ATOM 1510 SD MET A 146 51.553 12.216 1.433 1.00 0.00 S ATOM 1511 CE MET A 146 50.050 13.187 1.415 1.00 0.00 C ATOM 0 H MET A 146 48.293 12.276 5.278 1.00 0.00 H new ATOM 0 HA MET A 146 48.992 9.951 3.582 1.00 0.00 H new ATOM 0 HB2 MET A 146 50.313 12.473 3.782 1.00 0.00 H new ATOM 0 HB3 MET A 146 51.303 11.319 4.654 1.00 0.00 H new ATOM 0 HG2 MET A 146 51.964 10.269 2.764 1.00 0.00 H new ATOM 0 HG3 MET A 146 50.347 10.255 2.089 1.00 0.00 H new ATOM 0 HE1 MET A 146 49.756 13.384 0.384 1.00 0.00 H new ATOM 0 HE2 MET A 146 49.256 12.637 1.920 1.00 0.00 H new ATOM 0 HE3 MET A 146 50.221 14.132 1.930 1.00 0.00 H new ATOM 1521 N SER A 147 49.920 8.658 5.501 1.00 0.00 N ATOM 1522 CA SER A 147 50.212 7.815 6.650 1.00 0.00 C ATOM 1523 C SER A 147 51.687 7.894 7.023 1.00 0.00 C ATOM 1524 O SER A 147 52.545 8.105 6.165 1.00 0.00 O ATOM 1525 CB SER A 147 49.829 6.368 6.343 1.00 0.00 C ATOM 1526 OG SER A 147 50.898 5.679 5.713 1.00 0.00 O ATOM 0 H SER A 147 50.025 8.191 4.600 1.00 0.00 H new ATOM 0 HA SER A 147 49.626 8.173 7.496 1.00 0.00 H new ATOM 0 HB2 SER A 147 49.557 5.857 7.266 1.00 0.00 H new ATOM 0 HB3 SER A 147 48.950 6.350 5.698 1.00 0.00 H new ATOM 0 HG SER A 147 51.370 5.133 6.375 1.00 0.00 H new ATOM 1532 N GLY A 148 51.980 7.713 8.306 1.00 0.00 N ATOM 1533 CA GLY A 148 53.356 7.759 8.761 1.00 0.00 C ATOM 1534 C GLY A 148 54.185 6.632 8.174 1.00 0.00 C ATOM 1535 O GLY A 148 53.636 5.706 7.577 1.00 0.00 O ATOM 0 H GLY A 148 51.291 7.536 9.037 1.00 0.00 H new ATOM 0 HA2 GLY A 148 53.798 8.716 8.485 1.00 0.00 H new ATOM 0 HA3 GLY A 148 53.381 7.699 9.849 1.00 0.00 H new ATOM 1539 N PRO A 149 55.517 6.677 8.328 1.00 0.00 N ATOM 1540 CA PRO A 149 56.402 5.636 7.798 1.00 0.00 C ATOM 1541 C PRO A 149 55.968 4.241 8.232 1.00 0.00 C ATOM 1542 O PRO A 149 55.767 3.983 9.420 1.00 0.00 O ATOM 1543 CB PRO A 149 57.767 5.985 8.396 1.00 0.00 C ATOM 1544 CG PRO A 149 57.697 7.448 8.676 1.00 0.00 C ATOM 1545 CD PRO A 149 56.263 7.739 9.028 1.00 0.00 C ATOM 0 HA PRO A 149 56.399 5.612 6.708 1.00 0.00 H new ATOM 0 HB2 PRO A 149 57.957 5.417 9.306 1.00 0.00 H new ATOM 0 HB3 PRO A 149 58.574 5.753 7.701 1.00 0.00 H new ATOM 0 HG2 PRO A 149 58.362 7.720 9.496 1.00 0.00 H new ATOM 0 HG3 PRO A 149 58.010 8.026 7.807 1.00 0.00 H new ATOM 0 HD2 PRO A 149 56.098 7.703 10.105 1.00 0.00 H new ATOM 0 HD3 PRO A 149 55.960 8.731 8.692 1.00 0.00 H new ATOM 1553 N VAL A 150 55.820 3.343 7.264 1.00 0.00 N ATOM 1554 CA VAL A 150 55.406 1.976 7.550 1.00 0.00 C ATOM 1555 C VAL A 150 56.572 1.008 7.393 1.00 0.00 C ATOM 1556 O VAL A 150 57.027 0.741 6.281 1.00 0.00 O ATOM 1557 CB VAL A 150 54.252 1.531 6.629 1.00 0.00 C ATOM 1558 CG1 VAL A 150 53.665 0.213 7.109 1.00 0.00 C ATOM 1559 CG2 VAL A 150 53.180 2.610 6.553 1.00 0.00 C ATOM 0 H VAL A 150 55.981 3.538 6.276 1.00 0.00 H new ATOM 0 HA VAL A 150 55.059 1.959 8.583 1.00 0.00 H new ATOM 0 HB VAL A 150 54.649 1.379 5.625 1.00 0.00 H new ATOM 0 HG11 VAL A 150 52.852 -0.086 6.447 1.00 0.00 H new ATOM 0 HG12 VAL A 150 54.439 -0.554 7.102 1.00 0.00 H new ATOM 0 HG13 VAL A 150 53.282 0.333 8.123 1.00 0.00 H new ATOM 0 HG21 VAL A 150 52.374 2.277 5.898 1.00 0.00 H new ATOM 0 HG22 VAL A 150 52.783 2.799 7.550 1.00 0.00 H new ATOM 0 HG23 VAL A 150 53.615 3.527 6.156 1.00 0.00 H new ATOM 1569 N PHE A 151 57.056 0.490 8.517 1.00 0.00 N ATOM 1570 CA PHE A 151 58.175 -0.442 8.509 1.00 0.00 C ATOM 1571 C PHE A 151 57.691 -1.885 8.407 1.00 0.00 C ATOM 1572 O PHE A 151 57.122 -2.431 9.351 1.00 0.00 O ATOM 1573 CB PHE A 151 59.016 -0.261 9.771 1.00 0.00 C ATOM 1574 CG PHE A 151 59.551 1.132 9.931 1.00 0.00 C ATOM 1575 CD1 PHE A 151 58.727 2.160 10.361 1.00 0.00 C ATOM 1576 CD2 PHE A 151 60.878 1.413 9.649 1.00 0.00 C ATOM 1577 CE1 PHE A 151 59.217 3.444 10.506 1.00 0.00 C ATOM 1578 CE2 PHE A 151 61.375 2.695 9.793 1.00 0.00 C ATOM 1579 CZ PHE A 151 60.543 3.712 10.222 1.00 0.00 C ATOM 0 H PHE A 151 56.690 0.701 9.445 1.00 0.00 H new ATOM 0 HA PHE A 151 58.788 -0.227 7.633 1.00 0.00 H new ATOM 0 HB2 PHE A 151 58.411 -0.513 10.642 1.00 0.00 H new ATOM 0 HB3 PHE A 151 59.850 -0.963 9.748 1.00 0.00 H new ATOM 0 HD1 PHE A 151 57.691 1.955 10.585 1.00 0.00 H new ATOM 0 HD2 PHE A 151 61.532 0.622 9.313 1.00 0.00 H new ATOM 0 HE1 PHE A 151 58.565 4.237 10.841 1.00 0.00 H new ATOM 0 HE2 PHE A 151 62.412 2.902 9.571 1.00 0.00 H new ATOM 0 HZ PHE A 151 60.928 4.715 10.335 1.00 0.00 H new ATOM 1589 N THR A 152 57.927 -2.496 7.251 1.00 0.00 N ATOM 1590 CA THR A 152 57.525 -3.877 7.018 1.00 0.00 C ATOM 1591 C THR A 152 58.691 -4.683 6.452 1.00 0.00 C ATOM 1592 O THR A 152 59.764 -4.138 6.193 1.00 0.00 O ATOM 1593 CB THR A 152 56.332 -3.930 6.060 1.00 0.00 C ATOM 1594 OG1 THR A 152 56.732 -3.603 4.741 1.00 0.00 O ATOM 1595 CG2 THR A 152 55.215 -2.985 6.447 1.00 0.00 C ATOM 0 H THR A 152 58.396 -2.055 6.460 1.00 0.00 H new ATOM 0 HA THR A 152 57.228 -4.316 7.971 1.00 0.00 H new ATOM 0 HB THR A 152 55.960 -4.953 6.117 1.00 0.00 H new ATOM 0 HG1 THR A 152 56.850 -4.426 4.222 1.00 0.00 H new ATOM 0 HG21 THR A 152 54.400 -3.071 5.728 1.00 0.00 H new ATOM 0 HG22 THR A 152 54.850 -3.241 7.442 1.00 0.00 H new ATOM 0 HG23 THR A 152 55.589 -1.961 6.450 1.00 0.00 H new ATOM 1603 N ASP A 153 58.478 -5.983 6.266 1.00 0.00 N ATOM 1604 CA ASP A 153 59.515 -6.869 5.736 1.00 0.00 C ATOM 1605 C ASP A 153 60.213 -6.244 4.530 1.00 0.00 C ATOM 1606 O ASP A 153 61.430 -6.355 4.378 1.00 0.00 O ATOM 1607 CB ASP A 153 58.906 -8.216 5.343 1.00 0.00 C ATOM 1608 CG ASP A 153 59.640 -9.390 5.962 1.00 0.00 C ATOM 1609 OD1 ASP A 153 60.354 -9.183 6.967 1.00 0.00 O ATOM 1610 OD2 ASP A 153 59.501 -10.517 5.442 1.00 0.00 O ATOM 0 H ASP A 153 57.595 -6.449 6.475 1.00 0.00 H new ATOM 0 HA ASP A 153 60.258 -7.022 6.519 1.00 0.00 H new ATOM 0 HB2 ASP A 153 57.861 -8.242 5.651 1.00 0.00 H new ATOM 0 HB3 ASP A 153 58.921 -8.314 4.258 1.00 0.00 H new ATOM 1615 N SER A 154 59.435 -5.592 3.674 1.00 0.00 N ATOM 1616 CA SER A 154 59.975 -4.953 2.479 1.00 0.00 C ATOM 1617 C SER A 154 60.858 -3.762 2.840 1.00 0.00 C ATOM 1618 O SER A 154 61.951 -3.599 2.297 1.00 0.00 O ATOM 1619 CB SER A 154 58.839 -4.497 1.563 1.00 0.00 C ATOM 1620 OG SER A 154 57.740 -4.012 2.314 1.00 0.00 O ATOM 0 H SER A 154 58.426 -5.492 3.785 1.00 0.00 H new ATOM 0 HA SER A 154 60.588 -5.687 1.956 1.00 0.00 H new ATOM 0 HB2 SER A 154 59.199 -3.716 0.894 1.00 0.00 H new ATOM 0 HB3 SER A 154 58.517 -5.329 0.937 1.00 0.00 H new ATOM 0 HG SER A 154 57.181 -3.443 1.745 1.00 0.00 H new ATOM 1626 N GLY A 155 60.374 -2.928 3.754 1.00 0.00 N ATOM 1627 CA GLY A 155 61.128 -1.759 4.169 1.00 0.00 C ATOM 1628 C GLY A 155 60.229 -0.661 4.700 1.00 0.00 C ATOM 1629 O GLY A 155 59.427 -0.894 5.607 1.00 0.00 O ATOM 0 H GLY A 155 59.471 -3.041 4.216 1.00 0.00 H new ATOM 0 HA2 GLY A 155 61.844 -2.045 4.939 1.00 0.00 H new ATOM 0 HA3 GLY A 155 61.703 -1.380 3.324 1.00 0.00 H new ATOM 1633 N ILE A 156 60.352 0.537 4.137 1.00 0.00 N ATOM 1634 CA ILE A 156 59.533 1.663 4.566 1.00 0.00 C ATOM 1635 C ILE A 156 58.505 2.034 3.495 1.00 0.00 C ATOM 1636 O ILE A 156 58.862 2.293 2.347 1.00 0.00 O ATOM 1637 CB ILE A 156 60.395 2.899 4.896 1.00 0.00 C ATOM 1638 CG1 ILE A 156 61.508 2.523 5.877 1.00 0.00 C ATOM 1639 CG2 ILE A 156 59.526 4.011 5.471 1.00 0.00 C ATOM 1640 CD1 ILE A 156 62.333 3.704 6.343 1.00 0.00 C ATOM 0 H ILE A 156 61.008 0.752 3.386 1.00 0.00 H new ATOM 0 HA ILE A 156 59.012 1.349 5.471 1.00 0.00 H new ATOM 0 HB ILE A 156 60.854 3.262 3.976 1.00 0.00 H new ATOM 0 HG12 ILE A 156 61.065 2.035 6.745 1.00 0.00 H new ATOM 0 HG13 ILE A 156 62.167 1.795 5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 156 60.147 4.877 5.699 1.00 0.00 H new ATOM 0 HG22 ILE A 156 58.765 4.292 4.743 1.00 0.00 H new ATOM 0 HG23 ILE A 156 59.043 3.660 6.383 1.00 0.00 H new ATOM 0 HD11 ILE A 156 63.102 3.360 7.035 1.00 0.00 H new ATOM 0 HD12 ILE A 156 62.805 4.180 5.484 1.00 0.00 H new ATOM 0 HD13 ILE A 156 61.687 4.423 6.846 1.00 0.00 H new ATOM 1652 N HIS A 157 57.229 2.054 3.878 1.00 0.00 N ATOM 1653 CA HIS A 157 56.157 2.390 2.944 1.00 0.00 C ATOM 1654 C HIS A 157 55.328 3.571 3.428 1.00 0.00 C ATOM 1655 O HIS A 157 55.051 3.711 4.620 1.00 0.00 O ATOM 1656 CB HIS A 157 55.200 1.217 2.757 1.00 0.00 C ATOM 1657 CG HIS A 157 55.758 0.061 1.991 1.00 0.00 C ATOM 1658 ND1 HIS A 157 55.216 -0.370 0.800 1.00 0.00 N ATOM 1659 CD2 HIS A 157 56.783 -0.781 2.262 1.00 0.00 C ATOM 1660 CE1 HIS A 157 55.875 -1.426 0.373 1.00 0.00 C ATOM 1661 NE2 HIS A 157 56.833 -1.698 1.241 1.00 0.00 N ATOM 0 H HIS A 157 56.914 1.842 4.825 1.00 0.00 H new ATOM 0 HA HIS A 157 56.650 2.641 2.005 1.00 0.00 H new ATOM 0 HB2 HIS A 157 54.885 0.864 3.739 1.00 0.00 H new ATOM 0 HB3 HIS A 157 54.306 1.575 2.245 1.00 0.00 H new ATOM 0 HD1 HIS A 157 54.425 0.063 0.323 1.00 0.00 H new ATOM 0 HD2 HIS A 157 57.438 -0.739 3.120 1.00 0.00 H new ATOM 0 HE1 HIS A 157 55.668 -1.977 -0.533 1.00 0.00 H new ATOM 1670 N ILE A 158 54.892 4.387 2.481 1.00 0.00 N ATOM 1671 CA ILE A 158 54.037 5.533 2.777 1.00 0.00 C ATOM 1672 C ILE A 158 52.720 5.398 2.028 1.00 0.00 C ATOM 1673 O ILE A 158 52.702 4.936 0.891 1.00 0.00 O ATOM 1674 CB ILE A 158 54.710 6.871 2.412 1.00 0.00 C ATOM 1675 CG1 ILE A 158 55.659 7.275 3.532 1.00 0.00 C ATOM 1676 CG2 ILE A 158 53.670 7.962 2.174 1.00 0.00 C ATOM 1677 CD1 ILE A 158 56.245 8.663 3.368 1.00 0.00 C ATOM 0 H ILE A 158 55.117 4.278 1.492 1.00 0.00 H new ATOM 0 HA ILE A 158 53.857 5.540 3.852 1.00 0.00 H new ATOM 0 HB ILE A 158 55.271 6.744 1.486 1.00 0.00 H new ATOM 0 HG12 ILE A 158 55.127 7.226 4.482 1.00 0.00 H new ATOM 0 HG13 ILE A 158 56.473 6.551 3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 158 54.173 8.895 1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 158 53.014 7.667 1.355 1.00 0.00 H new ATOM 0 HG23 ILE A 158 53.079 8.105 3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 158 56.910 8.878 4.204 1.00 0.00 H new ATOM 0 HD12 ILE A 158 56.807 8.713 2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 158 55.440 9.398 3.346 1.00 0.00 H new ATOM 1689 N ILE A 159 51.622 5.795 2.663 1.00 0.00 N ATOM 1690 CA ILE A 159 50.314 5.698 2.028 1.00 0.00 C ATOM 1691 C ILE A 159 49.564 7.026 2.055 1.00 0.00 C ATOM 1692 O ILE A 159 49.826 7.887 2.895 1.00 0.00 O ATOM 1693 CB ILE A 159 49.447 4.616 2.692 1.00 0.00 C ATOM 1694 CG1 ILE A 159 50.238 3.313 2.828 1.00 0.00 C ATOM 1695 CG2 ILE A 159 48.176 4.387 1.887 1.00 0.00 C ATOM 1696 CD1 ILE A 159 50.508 2.909 4.261 1.00 0.00 C ATOM 0 H ILE A 159 51.611 6.183 3.606 1.00 0.00 H new ATOM 0 HA ILE A 159 50.499 5.424 0.989 1.00 0.00 H new ATOM 0 HB ILE A 159 49.166 4.957 3.689 1.00 0.00 H new ATOM 0 HG12 ILE A 159 49.689 2.512 2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 159 51.188 3.420 2.305 1.00 0.00 H new ATOM 0 HG21 ILE A 159 47.573 3.618 2.370 1.00 0.00 H new ATOM 0 HG22 ILE A 159 47.607 5.315 1.834 1.00 0.00 H new ATOM 0 HG23 ILE A 159 48.437 4.064 0.879 1.00 0.00 H new ATOM 0 HD11 ILE A 159 51.072 1.977 4.276 1.00 0.00 H new ATOM 0 HD12 ILE A 159 51.084 3.690 4.757 1.00 0.00 H new ATOM 0 HD13 ILE A 159 49.562 2.769 4.784 1.00 0.00 H new ATOM 1708 N LEU A 160 48.625 7.177 1.124 1.00 0.00 N ATOM 1709 CA LEU A 160 47.821 8.388 1.024 1.00 0.00 C ATOM 1710 C LEU A 160 46.396 8.048 0.591 1.00 0.00 C ATOM 1711 O LEU A 160 46.190 7.354 -0.404 1.00 0.00 O ATOM 1712 CB LEU A 160 48.457 9.368 0.027 1.00 0.00 C ATOM 1713 CG LEU A 160 47.482 10.305 -0.692 1.00 0.00 C ATOM 1714 CD1 LEU A 160 48.124 11.661 -0.944 1.00 0.00 C ATOM 1715 CD2 LEU A 160 47.014 9.683 -2.000 1.00 0.00 C ATOM 0 H LEU A 160 48.403 6.469 0.424 1.00 0.00 H new ATOM 0 HA LEU A 160 47.783 8.860 2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 160 49.191 9.974 0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 160 49.001 8.794 -0.723 1.00 0.00 H new ATOM 0 HG LEU A 160 46.614 10.454 -0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 160 47.414 12.310 -1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 160 48.408 12.112 0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 160 49.011 11.534 -1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 160 46.322 10.362 -2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 160 47.874 9.503 -2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 160 46.511 8.738 -1.794 1.00 0.00 H new ATOM 1727 N ARG A 161 45.419 8.547 1.338 1.00 0.00 N ATOM 1728 CA ARG A 161 44.018 8.301 1.024 1.00 0.00 C ATOM 1729 C ARG A 161 43.565 9.185 -0.134 1.00 0.00 C ATOM 1730 O ARG A 161 43.555 10.411 -0.023 1.00 0.00 O ATOM 1731 CB ARG A 161 43.147 8.563 2.256 1.00 0.00 C ATOM 1732 CG ARG A 161 42.304 7.371 2.673 1.00 0.00 C ATOM 1733 CD ARG A 161 41.080 7.813 3.458 1.00 0.00 C ATOM 1734 NE ARG A 161 40.027 8.323 2.580 1.00 0.00 N ATOM 1735 CZ ARG A 161 38.934 7.640 2.245 1.00 0.00 C ATOM 1736 NH1 ARG A 161 38.726 6.418 2.723 1.00 0.00 N ATOM 1737 NH2 ARG A 161 38.042 8.180 1.426 1.00 0.00 N ATOM 0 H ARG A 161 45.571 9.124 2.165 1.00 0.00 H new ATOM 0 HA ARG A 161 43.909 7.258 0.728 1.00 0.00 H new ATOM 0 HB2 ARG A 161 43.788 8.852 3.089 1.00 0.00 H new ATOM 0 HB3 ARG A 161 42.489 9.408 2.052 1.00 0.00 H new ATOM 0 HG2 ARG A 161 41.991 6.816 1.789 1.00 0.00 H new ATOM 0 HG3 ARG A 161 42.903 6.693 3.280 1.00 0.00 H new ATOM 0 HD2 ARG A 161 40.696 6.973 4.036 1.00 0.00 H new ATOM 0 HD3 ARG A 161 41.365 8.587 4.171 1.00 0.00 H new ATOM 0 HE ARG A 161 40.137 9.263 2.200 1.00 0.00 H new ATOM 0 HH11 ARG A 161 39.407 5.994 3.353 1.00 0.00 H new ATOM 0 HH12 ARG A 161 37.885 5.904 2.460 1.00 0.00 H new ATOM 0 HH21 ARG A 161 38.193 9.117 1.053 1.00 0.00 H new ATOM 0 HH22 ARG A 161 37.204 7.658 1.169 1.00 0.00 H new ATOM 1751 N THR A 162 43.191 8.558 -1.244 1.00 0.00 N ATOM 1752 CA THR A 162 42.740 9.295 -2.419 1.00 0.00 C ATOM 1753 C THR A 162 41.216 9.317 -2.501 1.00 0.00 C ATOM 1754 O THR A 162 40.633 10.220 -3.099 1.00 0.00 O ATOM 1755 CB THR A 162 43.328 8.684 -3.693 1.00 0.00 C ATOM 1756 OG1 THR A 162 44.251 7.653 -3.379 1.00 0.00 O ATOM 1757 CG2 THR A 162 44.046 9.696 -4.561 1.00 0.00 C ATOM 0 H THR A 162 43.191 7.544 -1.355 1.00 0.00 H new ATOM 0 HA THR A 162 43.092 10.322 -2.326 1.00 0.00 H new ATOM 0 HB THR A 162 42.475 8.291 -4.247 1.00 0.00 H new ATOM 0 HG1 THR A 162 44.839 7.495 -4.147 1.00 0.00 H new ATOM 0 HG21 THR A 162 44.440 9.200 -5.448 1.00 0.00 H new ATOM 0 HG22 THR A 162 43.348 10.478 -4.862 1.00 0.00 H new ATOM 0 HG23 THR A 162 44.868 10.140 -3.999 1.00 0.00 H new ATOM 1765 N GLU A 163 40.577 8.318 -1.894 1.00 0.00 N ATOM 1766 CA GLU A 163 39.119 8.213 -1.894 1.00 0.00 C ATOM 1767 C GLU A 163 38.612 7.699 -3.240 1.00 0.00 C ATOM 1768 O GLU A 163 39.184 8.092 -4.277 1.00 0.00 O ATOM 1769 CB GLU A 163 38.478 9.571 -1.549 1.00 0.00 C ATOM 1770 CG GLU A 163 37.904 10.325 -2.744 1.00 0.00 C ATOM 1771 CD GLU A 163 36.483 9.906 -3.069 1.00 0.00 C ATOM 1772 OE1 GLU A 163 36.032 8.870 -2.538 1.00 0.00 O ATOM 1773 OE2 GLU A 163 35.821 10.616 -3.856 1.00 0.00 O ATOM 1774 OXT GLU A 163 37.647 6.906 -3.244 1.00 0.00 O ATOM 0 H GLU A 163 41.050 7.566 -1.393 1.00 0.00 H new ATOM 0 HA GLU A 163 38.828 7.494 -1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 163 37.682 9.408 -0.823 1.00 0.00 H new ATOM 0 HB3 GLU A 163 39.227 10.199 -1.066 1.00 0.00 H new ATOM 0 HG2 GLU A 163 37.925 11.395 -2.538 1.00 0.00 H new ATOM 0 HG3 GLU A 163 38.537 10.155 -3.615 1.00 0.00 H new TER 1781 GLU A 163 HETATM 1782 S SO4 A 200 59.644 -6.889 -1.368 1.00 0.00 S HETATM 1783 O1 SO4 A 200 59.819 -8.351 -1.444 1.00 0.00 O HETATM 1784 O2 SO4 A 200 58.275 -6.583 -0.913 1.00 0.00 O HETATM 1785 O3 SO4 A 200 59.862 -6.296 -2.702 1.00 0.00 O HETATM 1786 O4 SO4 A 200 60.617 -6.324 -0.414 1.00 0.00 O