USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 934 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 52 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 65 GLN : amide:sc= -0.0227 X(o=-0.023,f=-0.18) USER MOD Set 2.1: A 54 GLN : amide:sc= -1.29! C(o=-0.17!,f=-5.4!) USER MOD Set 2.2: A 88 TYR OH : rot 111:sc= 1.12 USER MOD Set 3.1: A 51 MET CE :methyl -109:sc= -2.1 (180deg=-5.62!) USER MOD Set 3.2: A 91 LYS NZ :NH3+ -154:sc= -0.0235 (180deg=-0.00294) USER MOD Set 4.1: A 41 GLN : amide:sc= -0.214 K(o=0.86,f=-1.1!) USER MOD Set 4.2: A 48 TYR OH : rot 128:sc= 1.08 USER MOD Set 5.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 31 THR OG1 : rot 180:sc= -0.0305 USER MOD Set 6.1: A 23 ASN : amide:sc= 0.378 K(o=0.82,f=-0.53) USER MOD Set 6.2: A 107 LYS NZ :NH3+ -160:sc= 0.438 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0186 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.123 USER MOD Single : A 9 GLN : amide:sc=-0.00223 K(o=-0.0022,f=-1.2) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HE2:sc= -0.634 X(o=-0.63,f=-0.22) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.284 USER MOD Single : A 33 GLN : amide:sc= -0.173 K(o=-0.17,f=-2.3!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 46 GLN : amide:sc= -0.412 K(o=-0.41,f=-2.2!) USER MOD Single : A 55 THR OG1 : rot -74:sc= 0.0833 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.25) USER MOD Single : A 61 THR OG1 : rot -56:sc= 0.0738 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 16:sc= 0.684 USER MOD Single : A 66 ASN : amide:sc= -4.91! C(o=-4.9!,f=-8!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.482 X(o=-0.48,f=-0.77) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc=-0.00471 K(o=-0.0047,f=-1.3) USER MOD Single : A 100 GLN : amide:sc= -2.91! K(o=-2.9!,f=-1.1) USER MOD Single : A 102 MET CE :methyl -173:sc= 0 (180deg=-0.054) USER MOD Single : A 104 SER OG : rot 37:sc= 1.22 USER MOD Single : A 106 SER OG : rot 36:sc= 0.592 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0392 USER MOD Single : A 111 THR OG1 : rot 171:sc= 0.611 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.581 27.197 10.355 1.00 0.00 N ATOM 2 CA GLY A 1 -27.113 25.977 9.777 1.00 0.00 C ATOM 3 C GLY A 1 -26.674 24.738 10.533 1.00 0.00 C ATOM 4 O GLY A 1 -27.425 24.202 11.348 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.910 28.015 9.803 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.910 27.288 11.337 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.542 27.164 10.340 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.202 26.027 9.769 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.790 25.899 8.739 1.00 0.00 H new ATOM 8 N SER A 2 -25.456 24.281 10.261 1.00 0.00 N ATOM 9 CA SER A 2 -24.921 23.094 10.918 1.00 0.00 C ATOM 10 C SER A 2 -24.480 23.414 12.343 1.00 0.00 C ATOM 11 O SER A 2 -23.651 24.297 12.564 1.00 0.00 O ATOM 12 CB SER A 2 -23.741 22.533 10.121 1.00 0.00 C ATOM 13 OG SER A 2 -23.169 21.415 10.777 1.00 0.00 O ATOM 0 H SER A 2 -24.821 24.714 9.591 1.00 0.00 H new ATOM 0 HA SER A 2 -25.711 22.345 10.960 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.076 22.242 9.125 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.985 23.308 9.990 1.00 0.00 H new ATOM 0 HG SER A 2 -22.418 21.074 10.247 1.00 0.00 H new ATOM 19 N SER A 3 -25.040 22.689 13.306 1.00 0.00 N ATOM 20 CA SER A 3 -24.708 22.897 14.710 1.00 0.00 C ATOM 21 C SER A 3 -23.300 22.397 15.016 1.00 0.00 C ATOM 22 O SER A 3 -22.523 23.070 15.692 1.00 0.00 O ATOM 23 CB SER A 3 -25.722 22.183 15.606 1.00 0.00 C ATOM 24 OG SER A 3 -25.642 22.652 16.941 1.00 0.00 O ATOM 0 H SER A 3 -25.726 21.952 13.139 1.00 0.00 H new ATOM 0 HA SER A 3 -24.745 23.967 14.912 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.729 22.343 15.221 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.539 21.109 15.583 1.00 0.00 H new ATOM 0 HG SER A 3 -26.301 22.181 17.493 1.00 0.00 H new ATOM 30 N GLY A 4 -22.979 21.209 14.513 1.00 0.00 N ATOM 31 CA GLY A 4 -21.665 20.637 14.742 1.00 0.00 C ATOM 32 C GLY A 4 -21.188 19.793 13.577 1.00 0.00 C ATOM 33 O GLY A 4 -21.829 19.754 12.526 1.00 0.00 O ATOM 0 H GLY A 4 -23.605 20.633 13.951 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.949 21.439 14.922 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.691 20.025 15.643 1.00 0.00 H new ATOM 37 N SER A 5 -20.059 19.116 13.761 1.00 0.00 N ATOM 38 CA SER A 5 -19.494 18.273 12.714 1.00 0.00 C ATOM 39 C SER A 5 -19.492 16.807 13.138 1.00 0.00 C ATOM 40 O SER A 5 -18.496 16.103 12.972 1.00 0.00 O ATOM 41 CB SER A 5 -18.069 18.721 12.382 1.00 0.00 C ATOM 42 OG SER A 5 -17.699 18.317 11.075 1.00 0.00 O ATOM 0 H SER A 5 -19.518 19.135 14.625 1.00 0.00 H new ATOM 0 HA SER A 5 -20.116 18.375 11.825 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.997 19.805 12.465 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.373 18.299 13.107 1.00 0.00 H new ATOM 0 HG SER A 5 -16.785 18.616 10.886 1.00 0.00 H new ATOM 48 N SER A 6 -20.615 16.355 13.688 1.00 0.00 N ATOM 49 CA SER A 6 -20.743 14.975 14.140 1.00 0.00 C ATOM 50 C SER A 6 -20.344 14.002 13.035 1.00 0.00 C ATOM 51 O SER A 6 -19.578 13.066 13.263 1.00 0.00 O ATOM 52 CB SER A 6 -22.178 14.694 14.589 1.00 0.00 C ATOM 53 OG SER A 6 -23.079 14.775 13.498 1.00 0.00 O ATOM 0 H SER A 6 -21.449 16.925 13.831 1.00 0.00 H new ATOM 0 HA SER A 6 -20.071 14.832 14.986 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.234 13.702 15.038 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.468 15.409 15.358 1.00 0.00 H new ATOM 0 HG SER A 6 -23.989 14.590 13.811 1.00 0.00 H new ATOM 59 N GLY A 7 -20.869 14.230 11.835 1.00 0.00 N ATOM 60 CA GLY A 7 -20.557 13.366 10.712 1.00 0.00 C ATOM 61 C GLY A 7 -21.686 13.297 9.703 1.00 0.00 C ATOM 62 O GLY A 7 -22.197 12.217 9.406 1.00 0.00 O ATOM 0 H GLY A 7 -21.505 14.998 11.621 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.655 13.728 10.219 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.340 12.363 11.079 1.00 0.00 H new ATOM 66 N ARG A 8 -22.076 14.453 9.174 1.00 0.00 N ATOM 67 CA ARG A 8 -23.154 14.519 8.195 1.00 0.00 C ATOM 68 C ARG A 8 -22.685 14.008 6.835 1.00 0.00 C ATOM 69 O ARG A 8 -23.177 12.994 6.340 1.00 0.00 O ATOM 70 CB ARG A 8 -23.665 15.955 8.063 1.00 0.00 C ATOM 71 CG ARG A 8 -24.658 16.349 9.144 1.00 0.00 C ATOM 72 CD ARG A 8 -25.995 15.649 8.954 1.00 0.00 C ATOM 73 NE ARG A 8 -26.748 15.559 10.201 1.00 0.00 N ATOM 74 CZ ARG A 8 -28.063 15.376 10.255 1.00 0.00 C ATOM 75 NH1 ARG A 8 -28.766 15.264 9.136 1.00 0.00 N ATOM 76 NH2 ARG A 8 -28.677 15.305 11.429 1.00 0.00 N ATOM 0 H ARG A 8 -21.662 15.355 9.407 1.00 0.00 H new ATOM 0 HA ARG A 8 -23.967 13.882 8.543 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -22.816 16.638 8.095 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -24.136 16.076 7.087 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -24.250 16.098 10.123 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -24.806 17.429 9.128 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -26.585 16.189 8.213 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -25.827 14.647 8.559 1.00 0.00 H new ATOM 0 HE ARG A 8 -26.237 15.641 11.080 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -28.297 15.318 8.232 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -29.775 15.124 9.180 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -28.140 15.391 12.292 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -29.686 15.165 11.469 1.00 0.00 H new ATOM 90 N GLN A 9 -21.733 14.717 6.239 1.00 0.00 N ATOM 91 CA GLN A 9 -21.199 14.336 4.936 1.00 0.00 C ATOM 92 C GLN A 9 -20.505 12.980 5.009 1.00 0.00 C ATOM 93 O GLN A 9 -20.111 12.418 3.987 1.00 0.00 O ATOM 94 CB GLN A 9 -20.220 15.398 4.432 1.00 0.00 C ATOM 95 CG GLN A 9 -19.099 15.706 5.412 1.00 0.00 C ATOM 96 CD GLN A 9 -18.268 16.902 4.991 1.00 0.00 C ATOM 97 OE1 GLN A 9 -18.662 17.666 4.109 1.00 0.00 O ATOM 98 NE2 GLN A 9 -17.111 17.071 5.620 1.00 0.00 N ATOM 0 H GLN A 9 -21.315 15.558 6.637 1.00 0.00 H new ATOM 0 HA GLN A 9 -22.032 14.260 4.237 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -19.786 15.062 3.490 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -20.769 16.316 4.221 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -19.525 15.893 6.398 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -18.452 14.833 5.504 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -16.824 16.413 6.345 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -16.509 17.858 5.378 1.00 0.00 H new ATOM 107 N VAL A 10 -20.358 12.460 6.223 1.00 0.00 N ATOM 108 CA VAL A 10 -19.711 11.169 6.429 1.00 0.00 C ATOM 109 C VAL A 10 -20.049 10.200 5.302 1.00 0.00 C ATOM 110 O VAL A 10 -19.178 9.493 4.796 1.00 0.00 O ATOM 111 CB VAL A 10 -20.126 10.542 7.773 1.00 0.00 C ATOM 112 CG1 VAL A 10 -21.573 10.075 7.720 1.00 0.00 C ATOM 113 CG2 VAL A 10 -19.199 9.390 8.131 1.00 0.00 C ATOM 0 H VAL A 10 -20.678 12.913 7.079 1.00 0.00 H new ATOM 0 HA VAL A 10 -18.636 11.350 6.438 1.00 0.00 H new ATOM 0 HB VAL A 10 -20.042 11.302 8.550 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -21.849 9.635 8.678 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -22.222 10.925 7.511 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -21.686 9.330 6.932 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -19.506 8.958 9.083 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -19.249 8.627 7.354 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -18.176 9.758 8.213 1.00 0.00 H new ATOM 123 N GLN A 11 -21.320 10.172 4.913 1.00 0.00 N ATOM 124 CA GLN A 11 -21.773 9.288 3.846 1.00 0.00 C ATOM 125 C GLN A 11 -21.854 10.035 2.518 1.00 0.00 C ATOM 126 O GLN A 11 -21.762 9.433 1.448 1.00 0.00 O ATOM 127 CB GLN A 11 -23.139 8.693 4.193 1.00 0.00 C ATOM 128 CG GLN A 11 -23.063 7.516 5.152 1.00 0.00 C ATOM 129 CD GLN A 11 -24.392 7.219 5.817 1.00 0.00 C ATOM 130 OE1 GLN A 11 -25.174 6.401 5.331 1.00 0.00 O ATOM 131 NE2 GLN A 11 -24.657 7.883 6.936 1.00 0.00 N ATOM 0 H GLN A 11 -22.054 10.751 5.321 1.00 0.00 H new ATOM 0 HA GLN A 11 -21.048 8.481 3.745 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -23.764 9.470 4.633 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -23.630 8.372 3.275 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -22.726 6.632 4.610 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -22.316 7.724 5.918 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -23.981 8.552 7.304 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -25.537 7.724 7.427 1.00 0.00 H new ATOM 140 N LYS A 12 -22.026 11.350 2.595 1.00 0.00 N ATOM 141 CA LYS A 12 -22.118 12.181 1.400 1.00 0.00 C ATOM 142 C LYS A 12 -20.733 12.480 0.837 1.00 0.00 C ATOM 143 O LYS A 12 -20.597 13.203 -0.150 1.00 0.00 O ATOM 144 CB LYS A 12 -22.844 13.491 1.719 1.00 0.00 C ATOM 145 CG LYS A 12 -23.335 14.229 0.486 1.00 0.00 C ATOM 146 CD LYS A 12 -24.451 13.470 -0.212 1.00 0.00 C ATOM 147 CE LYS A 12 -25.092 14.304 -1.310 1.00 0.00 C ATOM 148 NZ LYS A 12 -26.408 13.750 -1.731 1.00 0.00 N ATOM 0 H LYS A 12 -22.105 11.864 3.473 1.00 0.00 H new ATOM 0 HA LYS A 12 -22.685 11.631 0.649 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -23.694 13.277 2.367 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -22.172 14.142 2.279 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -23.691 15.219 0.771 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -22.505 14.375 -0.206 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -24.054 12.549 -0.638 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -25.209 13.183 0.517 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -25.225 15.327 -0.958 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -24.424 14.347 -2.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -26.812 14.347 -2.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -26.278 12.783 -2.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -27.054 13.733 -0.916 1.00 0.00 H new ATOM 162 N GLU A 13 -19.708 11.917 1.469 1.00 0.00 N ATOM 163 CA GLU A 13 -18.333 12.123 1.029 1.00 0.00 C ATOM 164 C GLU A 13 -17.570 10.802 0.991 1.00 0.00 C ATOM 165 O GLU A 13 -16.903 10.485 0.005 1.00 0.00 O ATOM 166 CB GLU A 13 -17.620 13.110 1.955 1.00 0.00 C ATOM 167 CG GLU A 13 -16.105 12.996 1.917 1.00 0.00 C ATOM 168 CD GLU A 13 -15.516 13.481 0.607 1.00 0.00 C ATOM 169 OE1 GLU A 13 -16.019 13.069 -0.459 1.00 0.00 O ATOM 170 OE2 GLU A 13 -14.552 14.273 0.649 1.00 0.00 O ATOM 0 H GLU A 13 -19.804 11.315 2.287 1.00 0.00 H new ATOM 0 HA GLU A 13 -18.360 12.536 0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.906 14.125 1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.962 12.948 2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.680 13.574 2.738 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.819 11.957 2.077 1.00 0.00 H new ATOM 177 N LEU A 14 -17.671 10.036 2.072 1.00 0.00 N ATOM 178 CA LEU A 14 -16.990 8.749 2.164 1.00 0.00 C ATOM 179 C LEU A 14 -16.930 8.066 0.802 1.00 0.00 C ATOM 180 O LEU A 14 -15.855 7.890 0.231 1.00 0.00 O ATOM 181 CB LEU A 14 -17.703 7.844 3.170 1.00 0.00 C ATOM 182 CG LEU A 14 -17.300 6.369 3.149 1.00 0.00 C ATOM 183 CD1 LEU A 14 -16.145 6.117 4.106 1.00 0.00 C ATOM 184 CD2 LEU A 14 -18.489 5.487 3.501 1.00 0.00 C ATOM 0 H LEU A 14 -18.218 10.284 2.897 1.00 0.00 H new ATOM 0 HA LEU A 14 -15.970 8.929 2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.523 8.235 4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -18.776 7.909 2.990 1.00 0.00 H new ATOM 0 HG LEU A 14 -16.971 6.116 2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.872 5.062 4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.288 6.722 3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.446 6.387 5.118 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -18.184 4.441 3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -18.848 5.742 4.498 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -19.287 5.646 2.776 1.00 0.00 H new ATOM 196 N GLY A 15 -18.094 7.684 0.285 1.00 0.00 N ATOM 197 CA GLY A 15 -18.152 7.027 -1.007 1.00 0.00 C ATOM 198 C GLY A 15 -17.849 7.972 -2.153 1.00 0.00 C ATOM 199 O GLY A 15 -17.325 7.557 -3.187 1.00 0.00 O ATOM 0 H GLY A 15 -18.998 7.818 0.738 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -17.441 6.201 -1.023 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.143 6.596 -1.148 1.00 0.00 H new ATOM 203 N ASP A 16 -18.180 9.246 -1.970 1.00 0.00 N ATOM 204 CA ASP A 16 -17.940 10.253 -2.997 1.00 0.00 C ATOM 205 C ASP A 16 -16.470 10.274 -3.406 1.00 0.00 C ATOM 206 O ASP A 16 -16.142 10.165 -4.587 1.00 0.00 O ATOM 207 CB ASP A 16 -18.363 11.634 -2.496 1.00 0.00 C ATOM 208 CG ASP A 16 -18.478 12.647 -3.617 1.00 0.00 C ATOM 209 OD1 ASP A 16 -18.654 12.228 -4.781 1.00 0.00 O ATOM 210 OD2 ASP A 16 -18.394 13.860 -3.332 1.00 0.00 O ATOM 0 H ASP A 16 -18.615 9.605 -1.120 1.00 0.00 H new ATOM 0 HA ASP A 16 -18.537 9.994 -3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -19.322 11.553 -1.984 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -17.639 11.989 -1.763 1.00 0.00 H new ATOM 215 N VAL A 17 -15.590 10.415 -2.420 1.00 0.00 N ATOM 216 CA VAL A 17 -14.155 10.451 -2.676 1.00 0.00 C ATOM 217 C VAL A 17 -13.669 9.132 -3.268 1.00 0.00 C ATOM 218 O VAL A 17 -14.120 8.057 -2.869 1.00 0.00 O ATOM 219 CB VAL A 17 -13.362 10.746 -1.389 1.00 0.00 C ATOM 220 CG1 VAL A 17 -13.727 9.752 -0.297 1.00 0.00 C ATOM 221 CG2 VAL A 17 -11.867 10.720 -1.667 1.00 0.00 C ATOM 0 H VAL A 17 -15.846 10.506 -1.437 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.982 11.254 -3.393 1.00 0.00 H new ATOM 0 HB VAL A 17 -13.626 11.745 -1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -13.157 9.976 0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -14.793 9.825 -0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -13.493 8.741 -0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.322 10.930 -0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.583 9.736 -2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -11.623 11.475 -2.414 1.00 0.00 H new ATOM 231 N LEU A 18 -12.748 9.221 -4.220 1.00 0.00 N ATOM 232 CA LEU A 18 -12.199 8.034 -4.867 1.00 0.00 C ATOM 233 C LEU A 18 -10.785 7.748 -4.372 1.00 0.00 C ATOM 234 O LEU A 18 -9.973 8.660 -4.219 1.00 0.00 O ATOM 235 CB LEU A 18 -12.192 8.215 -6.386 1.00 0.00 C ATOM 236 CG LEU A 18 -12.193 6.930 -7.215 1.00 0.00 C ATOM 237 CD1 LEU A 18 -12.859 7.164 -8.562 1.00 0.00 C ATOM 238 CD2 LEU A 18 -10.774 6.414 -7.401 1.00 0.00 C ATOM 0 H LEU A 18 -12.365 10.103 -4.562 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.833 7.185 -4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.065 8.805 -6.666 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.313 8.799 -6.658 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.765 6.174 -6.677 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.850 6.239 -9.138 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.889 7.486 -8.408 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.316 7.936 -9.107 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.794 5.499 -7.993 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.178 7.167 -7.917 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.332 6.206 -6.427 1.00 0.00 H new ATOM 250 N VAL A 19 -10.498 6.474 -4.123 1.00 0.00 N ATOM 251 CA VAL A 19 -9.181 6.066 -3.648 1.00 0.00 C ATOM 252 C VAL A 19 -8.461 5.214 -4.687 1.00 0.00 C ATOM 253 O VAL A 19 -8.998 4.212 -5.162 1.00 0.00 O ATOM 254 CB VAL A 19 -9.280 5.275 -2.330 1.00 0.00 C ATOM 255 CG1 VAL A 19 -7.896 4.873 -1.843 1.00 0.00 C ATOM 256 CG2 VAL A 19 -10.009 6.091 -1.273 1.00 0.00 C ATOM 0 H VAL A 19 -11.160 5.707 -4.242 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.611 6.979 -3.473 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.853 4.366 -2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.986 4.315 -0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.413 4.248 -2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.296 5.767 -1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.070 5.517 -0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.465 7.018 -1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.015 6.324 -1.623 1.00 0.00 H new ATOM 266 N ARG A 20 -7.244 5.617 -5.035 1.00 0.00 N ATOM 267 CA ARG A 20 -6.450 4.890 -6.019 1.00 0.00 C ATOM 268 C ARG A 20 -5.301 4.146 -5.347 1.00 0.00 C ATOM 269 O ARG A 20 -4.380 4.761 -4.806 1.00 0.00 O ATOM 270 CB ARG A 20 -5.902 5.852 -7.074 1.00 0.00 C ATOM 271 CG ARG A 20 -6.947 6.320 -8.074 1.00 0.00 C ATOM 272 CD ARG A 20 -6.307 7.023 -9.261 1.00 0.00 C ATOM 273 NE ARG A 20 -7.234 7.159 -10.381 1.00 0.00 N ATOM 274 CZ ARG A 20 -7.021 7.962 -11.418 1.00 0.00 C ATOM 275 NH1 ARG A 20 -5.919 8.696 -11.476 1.00 0.00 N ATOM 276 NH2 ARG A 20 -7.912 8.031 -12.399 1.00 0.00 N ATOM 0 H ARG A 20 -6.786 6.443 -4.650 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.098 4.160 -6.505 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.475 6.721 -6.574 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.090 5.363 -7.612 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.525 5.465 -8.425 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.645 6.997 -7.582 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.961 8.010 -8.954 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.429 6.464 -9.583 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.092 6.607 -10.367 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.232 8.645 -10.724 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.758 9.312 -12.273 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.761 7.467 -12.357 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.748 8.648 -13.195 1.00 0.00 H new ATOM 290 N LEU A 21 -5.359 2.819 -5.384 1.00 0.00 N ATOM 291 CA LEU A 21 -4.323 1.990 -4.778 1.00 0.00 C ATOM 292 C LEU A 21 -3.255 1.619 -5.802 1.00 0.00 C ATOM 293 O LEU A 21 -3.466 0.749 -6.648 1.00 0.00 O ATOM 294 CB LEU A 21 -4.939 0.722 -4.185 1.00 0.00 C ATOM 295 CG LEU A 21 -3.957 -0.385 -3.800 1.00 0.00 C ATOM 296 CD1 LEU A 21 -2.883 0.154 -2.868 1.00 0.00 C ATOM 297 CD2 LEU A 21 -4.692 -1.549 -3.152 1.00 0.00 C ATOM 0 H LEU A 21 -6.113 2.294 -5.827 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.852 2.565 -3.981 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.509 0.999 -3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.649 0.316 -4.906 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.474 -0.746 -4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.194 -0.648 -2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.336 0.954 -3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.349 0.543 -1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.977 -2.327 -2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.203 -1.202 -2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.423 -1.953 -3.852 1.00 0.00 H new ATOM 309 N HIS A 22 -2.106 2.283 -5.718 1.00 0.00 N ATOM 310 CA HIS A 22 -1.003 2.021 -6.636 1.00 0.00 C ATOM 311 C HIS A 22 -0.462 0.607 -6.444 1.00 0.00 C ATOM 312 O HIS A 22 -0.707 -0.028 -5.420 1.00 0.00 O ATOM 313 CB HIS A 22 0.116 3.041 -6.426 1.00 0.00 C ATOM 314 CG HIS A 22 -0.313 4.457 -6.660 1.00 0.00 C ATOM 315 ND1 HIS A 22 0.277 5.276 -7.600 1.00 0.00 N ATOM 316 CD2 HIS A 22 -1.281 5.198 -6.072 1.00 0.00 C ATOM 317 CE1 HIS A 22 -0.309 6.460 -7.579 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.258 6.439 -6.660 1.00 0.00 N ATOM 0 H HIS A 22 -1.915 3.006 -5.024 1.00 0.00 H new ATOM 0 HA HIS A 22 -1.380 2.112 -7.655 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.495 2.948 -5.408 1.00 0.00 H new ATOM 0 HB3 HIS A 22 0.942 2.805 -7.096 1.00 0.00 H new ATOM 0 HD1 HIS A 22 1.046 5.009 -8.215 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -1.948 4.874 -5.287 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.055 7.302 -8.206 1.00 0.00 H new ATOM 327 N ASN A 23 0.276 0.122 -7.438 1.00 0.00 N ATOM 328 CA ASN A 23 0.852 -1.217 -7.379 1.00 0.00 C ATOM 329 C ASN A 23 1.567 -1.444 -6.051 1.00 0.00 C ATOM 330 O ASN A 23 2.414 -0.655 -5.631 1.00 0.00 O ATOM 331 CB ASN A 23 1.827 -1.427 -8.539 1.00 0.00 C ATOM 332 CG ASN A 23 1.127 -1.866 -9.811 1.00 0.00 C ATOM 333 OD1 ASN A 23 0.338 -2.811 -9.803 1.00 0.00 O ATOM 334 ND2 ASN A 23 1.414 -1.180 -10.911 1.00 0.00 N ATOM 0 H ASN A 23 0.489 0.636 -8.293 1.00 0.00 H new ATOM 0 HA ASN A 23 0.039 -1.939 -7.461 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.369 -0.500 -8.727 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.566 -2.177 -8.257 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.974 -1.429 -11.797 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.074 -0.404 -10.870 1.00 0.00 H new ATOM 341 N PRO A 24 1.221 -2.548 -5.373 1.00 0.00 N ATOM 342 CA PRO A 24 1.819 -2.905 -4.083 1.00 0.00 C ATOM 343 C PRO A 24 3.278 -3.327 -4.218 1.00 0.00 C ATOM 344 O PRO A 24 3.591 -4.518 -4.237 1.00 0.00 O ATOM 345 CB PRO A 24 0.963 -4.083 -3.610 1.00 0.00 C ATOM 346 CG PRO A 24 0.413 -4.679 -4.860 1.00 0.00 C ATOM 347 CD PRO A 24 0.219 -3.533 -5.814 1.00 0.00 C ATOM 0 HA PRO A 24 1.830 -2.063 -3.391 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.559 -4.808 -3.055 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.165 -3.751 -2.946 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.098 -5.419 -5.274 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.530 -5.190 -4.667 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.383 -3.838 -6.847 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.792 -3.130 -5.758 1.00 0.00 H new ATOM 355 N VAL A 25 4.167 -2.344 -4.309 1.00 0.00 N ATOM 356 CA VAL A 25 5.594 -2.614 -4.440 1.00 0.00 C ATOM 357 C VAL A 25 6.057 -3.637 -3.409 1.00 0.00 C ATOM 358 O VAL A 25 5.886 -3.442 -2.206 1.00 0.00 O ATOM 359 CB VAL A 25 6.426 -1.327 -4.280 1.00 0.00 C ATOM 360 CG1 VAL A 25 7.900 -1.609 -4.528 1.00 0.00 C ATOM 361 CG2 VAL A 25 5.916 -0.244 -5.219 1.00 0.00 C ATOM 0 H VAL A 25 3.925 -1.353 -4.294 1.00 0.00 H new ATOM 0 HA VAL A 25 5.749 -3.016 -5.441 1.00 0.00 H new ATOM 0 HB VAL A 25 6.317 -0.969 -3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.471 -0.688 -4.410 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.254 -2.350 -3.811 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.032 -1.991 -5.540 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.515 0.658 -5.093 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.993 -0.590 -6.250 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.874 -0.023 -4.988 1.00 0.00 H new ATOM 371 N VAL A 26 6.645 -4.728 -3.889 1.00 0.00 N ATOM 372 CA VAL A 26 7.135 -5.782 -3.008 1.00 0.00 C ATOM 373 C VAL A 26 8.602 -5.565 -2.655 1.00 0.00 C ATOM 374 O VAL A 26 9.478 -5.643 -3.517 1.00 0.00 O ATOM 375 CB VAL A 26 6.973 -7.172 -3.653 1.00 0.00 C ATOM 376 CG1 VAL A 26 7.516 -7.168 -5.074 1.00 0.00 C ATOM 377 CG2 VAL A 26 7.667 -8.233 -2.812 1.00 0.00 C ATOM 0 H VAL A 26 6.794 -4.905 -4.882 1.00 0.00 H new ATOM 0 HA VAL A 26 6.536 -5.739 -2.099 1.00 0.00 H new ATOM 0 HB VAL A 26 5.911 -7.412 -3.696 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.393 -8.158 -5.513 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.971 -6.436 -5.670 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.574 -6.907 -5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.543 -9.209 -3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.729 -8.000 -2.736 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.227 -8.252 -1.815 1.00 0.00 H new ATOM 387 N LEU A 27 8.863 -5.293 -1.381 1.00 0.00 N ATOM 388 CA LEU A 27 10.226 -5.066 -0.912 1.00 0.00 C ATOM 389 C LEU A 27 10.869 -6.371 -0.454 1.00 0.00 C ATOM 390 O LEU A 27 12.048 -6.619 -0.712 1.00 0.00 O ATOM 391 CB LEU A 27 10.228 -4.053 0.235 1.00 0.00 C ATOM 392 CG LEU A 27 9.512 -2.730 -0.037 1.00 0.00 C ATOM 393 CD1 LEU A 27 10.169 -1.995 -1.195 1.00 0.00 C ATOM 394 CD2 LEU A 27 8.037 -2.971 -0.324 1.00 0.00 C ATOM 0 H LEU A 27 8.150 -5.224 -0.655 1.00 0.00 H new ATOM 0 HA LEU A 27 10.809 -4.668 -1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.768 -4.520 1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.263 -3.835 0.499 1.00 0.00 H new ATOM 0 HG LEU A 27 9.591 -2.107 0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.646 -1.056 -1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.211 -1.789 -0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.122 -2.613 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.543 -2.018 -0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.937 -3.614 -1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.573 -3.454 0.536 1.00 0.00 H new ATOM 406 N THR A 28 10.087 -7.204 0.225 1.00 0.00 N ATOM 407 CA THR A 28 10.580 -8.484 0.718 1.00 0.00 C ATOM 408 C THR A 28 9.465 -9.523 0.759 1.00 0.00 C ATOM 409 O THR A 28 8.279 -9.196 0.770 1.00 0.00 O ATOM 410 CB THR A 28 11.190 -8.347 2.126 1.00 0.00 C ATOM 411 OG1 THR A 28 10.535 -7.295 2.844 1.00 0.00 O ATOM 412 CG2 THR A 28 12.681 -8.058 2.043 1.00 0.00 C ATOM 0 H THR A 28 9.109 -7.015 0.446 1.00 0.00 H new ATOM 0 HA THR A 28 11.355 -8.812 0.025 1.00 0.00 H new ATOM 0 HB THR A 28 11.047 -9.290 2.653 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.928 -7.216 3.738 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.090 -7.965 3.049 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.181 -8.874 1.522 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.841 -7.127 1.499 1.00 0.00 H new ATOM 420 N PRO A 29 9.853 -10.807 0.782 1.00 0.00 N ATOM 421 CA PRO A 29 8.901 -11.921 0.823 1.00 0.00 C ATOM 422 C PRO A 29 8.175 -12.013 2.161 1.00 0.00 C ATOM 423 O PRO A 29 7.387 -12.932 2.390 1.00 0.00 O ATOM 424 CB PRO A 29 9.785 -13.152 0.609 1.00 0.00 C ATOM 425 CG PRO A 29 11.134 -12.736 1.084 1.00 0.00 C ATOM 426 CD PRO A 29 11.251 -11.270 0.771 1.00 0.00 C ATOM 0 HA PRO A 29 8.113 -11.811 0.078 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.414 -14.009 1.172 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.808 -13.446 -0.440 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.244 -12.916 2.153 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.917 -13.305 0.583 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.853 -10.747 1.514 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.722 -11.102 -0.197 1.00 0.00 H new ATOM 434 N THR A 30 8.444 -11.056 3.043 1.00 0.00 N ATOM 435 CA THR A 30 7.817 -11.030 4.359 1.00 0.00 C ATOM 436 C THR A 30 7.195 -9.668 4.644 1.00 0.00 C ATOM 437 O THR A 30 6.508 -9.486 5.650 1.00 0.00 O ATOM 438 CB THR A 30 8.830 -11.362 5.471 1.00 0.00 C ATOM 439 OG1 THR A 30 9.936 -10.455 5.413 1.00 0.00 O ATOM 440 CG2 THR A 30 9.333 -12.792 5.335 1.00 0.00 C ATOM 0 H THR A 30 9.092 -10.288 2.870 1.00 0.00 H new ATOM 0 HA THR A 30 7.035 -11.790 4.352 1.00 0.00 H new ATOM 0 HB THR A 30 8.327 -11.260 6.433 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.574 -10.672 6.124 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.047 -13.004 6.131 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.492 -13.482 5.409 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.820 -12.916 4.368 1.00 0.00 H new ATOM 448 N THR A 31 7.438 -8.713 3.753 1.00 0.00 N ATOM 449 CA THR A 31 6.902 -7.367 3.909 1.00 0.00 C ATOM 450 C THR A 31 6.587 -6.739 2.556 1.00 0.00 C ATOM 451 O THR A 31 7.216 -7.063 1.549 1.00 0.00 O ATOM 452 CB THR A 31 7.884 -6.455 4.669 1.00 0.00 C ATOM 453 OG1 THR A 31 8.348 -7.114 5.853 1.00 0.00 O ATOM 454 CG2 THR A 31 7.222 -5.138 5.042 1.00 0.00 C ATOM 0 H THR A 31 8.003 -8.847 2.915 1.00 0.00 H new ATOM 0 HA THR A 31 5.982 -7.459 4.486 1.00 0.00 H new ATOM 0 HB THR A 31 8.730 -6.245 4.015 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.973 -6.529 6.330 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.935 -4.511 5.578 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.896 -4.625 4.137 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.359 -5.332 5.679 1.00 0.00 H new ATOM 462 N VAL A 32 5.610 -5.838 2.540 1.00 0.00 N ATOM 463 CA VAL A 32 5.213 -5.163 1.310 1.00 0.00 C ATOM 464 C VAL A 32 4.693 -3.759 1.596 1.00 0.00 C ATOM 465 O VAL A 32 3.892 -3.559 2.508 1.00 0.00 O ATOM 466 CB VAL A 32 4.128 -5.958 0.559 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.720 -5.233 -0.715 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.616 -7.364 0.248 1.00 0.00 C ATOM 0 H VAL A 32 5.079 -5.559 3.365 1.00 0.00 H new ATOM 0 HA VAL A 32 6.103 -5.096 0.684 1.00 0.00 H new ATOM 0 HB VAL A 32 3.251 -6.037 1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.953 -5.810 -1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.326 -4.248 -0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.589 -5.121 -1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.836 -7.911 -0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.509 -7.310 -0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.853 -7.881 1.178 1.00 0.00 H new ATOM 478 N GLN A 33 5.154 -2.792 0.811 1.00 0.00 N ATOM 479 CA GLN A 33 4.735 -1.405 0.981 1.00 0.00 C ATOM 480 C GLN A 33 3.408 -1.147 0.275 1.00 0.00 C ATOM 481 O GLN A 33 3.158 -1.673 -0.810 1.00 0.00 O ATOM 482 CB GLN A 33 5.807 -0.457 0.441 1.00 0.00 C ATOM 483 CG GLN A 33 5.429 1.012 0.547 1.00 0.00 C ATOM 484 CD GLN A 33 6.056 1.856 -0.545 1.00 0.00 C ATOM 485 OE1 GLN A 33 6.725 1.338 -1.439 1.00 0.00 O ATOM 486 NE2 GLN A 33 5.841 3.165 -0.478 1.00 0.00 N ATOM 0 H GLN A 33 5.818 -2.942 0.051 1.00 0.00 H new ATOM 0 HA GLN A 33 4.600 -1.220 2.047 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.736 -0.625 0.985 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.002 -0.699 -0.604 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.344 1.109 0.498 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.739 1.394 1.520 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.280 3.551 0.281 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.237 3.784 -1.186 1.00 0.00 H new ATOM 495 N VAL A 34 2.561 -0.335 0.898 1.00 0.00 N ATOM 496 CA VAL A 34 1.259 -0.006 0.329 1.00 0.00 C ATOM 497 C VAL A 34 1.073 1.503 0.218 1.00 0.00 C ATOM 498 O VAL A 34 1.335 2.244 1.166 1.00 0.00 O ATOM 499 CB VAL A 34 0.113 -0.593 1.174 1.00 0.00 C ATOM 500 CG1 VAL A 34 -1.233 -0.281 0.538 1.00 0.00 C ATOM 501 CG2 VAL A 34 0.294 -2.093 1.348 1.00 0.00 C ATOM 0 H VAL A 34 2.752 0.107 1.797 1.00 0.00 H new ATOM 0 HA VAL A 34 1.228 -0.447 -0.667 1.00 0.00 H new ATOM 0 HB VAL A 34 0.138 -0.130 2.160 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.031 -0.704 1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.362 0.799 0.470 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.273 -0.715 -0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.525 -2.491 1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.296 -2.575 0.370 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.241 -2.289 1.851 1.00 0.00 H new ATOM 511 N THR A 35 0.618 1.954 -0.947 1.00 0.00 N ATOM 512 CA THR A 35 0.397 3.375 -1.183 1.00 0.00 C ATOM 513 C THR A 35 -0.952 3.618 -1.851 1.00 0.00 C ATOM 514 O THR A 35 -1.394 2.827 -2.683 1.00 0.00 O ATOM 515 CB THR A 35 1.509 3.979 -2.061 1.00 0.00 C ATOM 516 OG1 THR A 35 2.790 3.530 -1.607 1.00 0.00 O ATOM 517 CG2 THR A 35 1.458 5.499 -2.031 1.00 0.00 C ATOM 0 H THR A 35 0.395 1.355 -1.742 1.00 0.00 H new ATOM 0 HA THR A 35 0.410 3.863 -0.208 1.00 0.00 H new ATOM 0 HB THR A 35 1.351 3.647 -3.087 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.491 3.917 -2.171 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.253 5.902 -2.658 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.492 5.838 -2.406 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.592 5.847 -1.007 1.00 0.00 H new ATOM 525 N TRP A 36 -1.599 4.718 -1.482 1.00 0.00 N ATOM 526 CA TRP A 36 -2.898 5.065 -2.047 1.00 0.00 C ATOM 527 C TRP A 36 -3.116 6.574 -2.025 1.00 0.00 C ATOM 528 O TRP A 36 -2.626 7.269 -1.134 1.00 0.00 O ATOM 529 CB TRP A 36 -4.017 4.364 -1.275 1.00 0.00 C ATOM 530 CG TRP A 36 -4.154 4.844 0.138 1.00 0.00 C ATOM 531 CD1 TRP A 36 -4.822 5.956 0.566 1.00 0.00 C ATOM 532 CD2 TRP A 36 -3.608 4.227 1.309 1.00 0.00 C ATOM 533 NE1 TRP A 36 -4.724 6.067 1.932 1.00 0.00 N ATOM 534 CE2 TRP A 36 -3.985 5.019 2.412 1.00 0.00 C ATOM 535 CE3 TRP A 36 -2.839 3.082 1.534 1.00 0.00 C ATOM 536 CZ2 TRP A 36 -3.617 4.701 3.716 1.00 0.00 C ATOM 537 CZ3 TRP A 36 -2.474 2.768 2.829 1.00 0.00 C ATOM 538 CH2 TRP A 36 -2.864 3.574 3.907 1.00 0.00 C ATOM 0 H TRP A 36 -1.246 5.384 -0.795 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.916 4.729 -3.084 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.961 4.519 -1.797 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -3.828 3.291 -1.270 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.350 6.647 -0.075 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.135 6.810 2.497 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.535 2.453 0.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.915 5.322 4.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.878 1.886 3.014 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.565 3.301 4.908 1.00 0.00 H new ATOM 549 N THR A 37 -3.854 7.076 -3.010 1.00 0.00 N ATOM 550 CA THR A 37 -4.135 8.503 -3.103 1.00 0.00 C ATOM 551 C THR A 37 -5.632 8.761 -3.231 1.00 0.00 C ATOM 552 O THR A 37 -6.352 7.994 -3.870 1.00 0.00 O ATOM 553 CB THR A 37 -3.411 9.141 -4.304 1.00 0.00 C ATOM 554 OG1 THR A 37 -3.561 10.565 -4.267 1.00 0.00 O ATOM 555 CG2 THR A 37 -3.962 8.602 -5.616 1.00 0.00 C ATOM 0 H THR A 37 -4.268 6.515 -3.755 1.00 0.00 H new ATOM 0 HA THR A 37 -3.768 8.958 -2.183 1.00 0.00 H new ATOM 0 HB THR A 37 -2.353 8.886 -4.240 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.097 10.963 -5.033 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.436 9.067 -6.450 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.820 7.522 -5.654 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.025 8.831 -5.685 1.00 0.00 H new ATOM 563 N VAL A 38 -6.095 9.846 -2.619 1.00 0.00 N ATOM 564 CA VAL A 38 -7.507 10.207 -2.666 1.00 0.00 C ATOM 565 C VAL A 38 -7.698 11.610 -3.230 1.00 0.00 C ATOM 566 O VAL A 38 -7.007 12.549 -2.834 1.00 0.00 O ATOM 567 CB VAL A 38 -8.151 10.136 -1.268 1.00 0.00 C ATOM 568 CG1 VAL A 38 -7.998 8.741 -0.680 1.00 0.00 C ATOM 569 CG2 VAL A 38 -7.541 11.182 -0.347 1.00 0.00 C ATOM 0 H VAL A 38 -5.513 10.491 -2.085 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.996 9.486 -3.321 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.216 10.348 -1.366 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.459 8.710 0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.486 8.016 -1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.939 8.496 -0.594 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.007 11.118 0.636 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.470 11.004 -0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.708 12.175 -0.764 1.00 0.00 H new ATOM 579 N ASP A 39 -8.639 11.746 -4.157 1.00 0.00 N ATOM 580 CA ASP A 39 -8.923 13.035 -4.776 1.00 0.00 C ATOM 581 C ASP A 39 -9.215 14.094 -3.718 1.00 0.00 C ATOM 582 O ASP A 39 -8.516 15.103 -3.625 1.00 0.00 O ATOM 583 CB ASP A 39 -10.108 12.915 -5.736 1.00 0.00 C ATOM 584 CG ASP A 39 -10.028 13.905 -6.882 1.00 0.00 C ATOM 585 OD1 ASP A 39 -9.574 15.045 -6.650 1.00 0.00 O ATOM 586 OD2 ASP A 39 -10.418 13.538 -8.010 1.00 0.00 O ATOM 0 H ASP A 39 -9.219 10.979 -4.497 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.041 13.342 -5.337 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.146 11.902 -6.137 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -11.035 13.075 -5.186 1.00 0.00 H new ATOM 591 N ARG A 40 -10.253 13.857 -2.922 1.00 0.00 N ATOM 592 CA ARG A 40 -10.639 14.791 -1.871 1.00 0.00 C ATOM 593 C ARG A 40 -10.539 14.135 -0.497 1.00 0.00 C ATOM 594 O ARG A 40 -11.539 13.683 0.060 1.00 0.00 O ATOM 595 CB ARG A 40 -12.065 15.294 -2.105 1.00 0.00 C ATOM 596 CG ARG A 40 -12.212 16.146 -3.355 1.00 0.00 C ATOM 597 CD ARG A 40 -12.443 15.290 -4.590 1.00 0.00 C ATOM 598 NE ARG A 40 -13.247 15.982 -5.593 1.00 0.00 N ATOM 599 CZ ARG A 40 -13.718 15.396 -6.689 1.00 0.00 C ATOM 600 NH1 ARG A 40 -13.466 14.116 -6.921 1.00 0.00 N ATOM 601 NH2 ARG A 40 -14.442 16.093 -7.556 1.00 0.00 N ATOM 0 H ARG A 40 -10.842 13.026 -2.985 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.953 15.637 -1.901 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.736 14.438 -2.178 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.383 15.875 -1.240 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -13.045 16.837 -3.229 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.315 16.750 -3.492 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.482 15.013 -5.024 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.941 14.364 -4.302 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.459 16.969 -5.445 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.909 13.577 -6.258 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.829 13.669 -7.763 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.637 17.079 -7.381 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.803 15.643 -8.397 1.00 0.00 H new ATOM 615 N GLN A 41 -9.325 14.086 0.043 1.00 0.00 N ATOM 616 CA GLN A 41 -9.095 13.484 1.351 1.00 0.00 C ATOM 617 C GLN A 41 -10.201 13.867 2.328 1.00 0.00 C ATOM 618 O GLN A 41 -10.417 15.041 2.631 1.00 0.00 O ATOM 619 CB GLN A 41 -7.737 13.919 1.904 1.00 0.00 C ATOM 620 CG GLN A 41 -7.511 13.513 3.351 1.00 0.00 C ATOM 621 CD GLN A 41 -7.034 12.081 3.488 1.00 0.00 C ATOM 622 OE1 GLN A 41 -7.664 11.266 4.163 1.00 0.00 O ATOM 623 NE2 GLN A 41 -5.915 11.765 2.846 1.00 0.00 N ATOM 0 H GLN A 41 -8.486 14.456 -0.405 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.100 12.401 1.231 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.948 13.489 1.287 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.651 15.002 1.822 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.777 14.181 3.801 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.439 13.638 3.908 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.425 12.472 2.298 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.546 10.816 2.901 1.00 0.00 H new ATOM 632 N PRO A 42 -10.921 12.855 2.835 1.00 0.00 N ATOM 633 CA PRO A 42 -12.017 13.060 3.786 1.00 0.00 C ATOM 634 C PRO A 42 -11.520 13.520 5.152 1.00 0.00 C ATOM 635 O PRO A 42 -10.604 12.927 5.720 1.00 0.00 O ATOM 636 CB PRO A 42 -12.662 11.676 3.889 1.00 0.00 C ATOM 637 CG PRO A 42 -11.572 10.724 3.534 1.00 0.00 C ATOM 638 CD PRO A 42 -10.719 11.431 2.518 1.00 0.00 C ATOM 0 HA PRO A 42 -12.703 13.840 3.456 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -13.040 11.489 4.894 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.508 11.582 3.208 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.988 10.454 4.414 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.979 9.799 3.126 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.671 11.145 2.604 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.030 11.198 1.500 1.00 0.00 H new ATOM 646 N GLN A 43 -12.131 14.579 5.673 1.00 0.00 N ATOM 647 CA GLN A 43 -11.750 15.117 6.974 1.00 0.00 C ATOM 648 C GLN A 43 -12.308 14.259 8.104 1.00 0.00 C ATOM 649 O GLN A 43 -11.580 13.860 9.013 1.00 0.00 O ATOM 650 CB GLN A 43 -12.245 16.557 7.119 1.00 0.00 C ATOM 651 CG GLN A 43 -11.645 17.513 6.100 1.00 0.00 C ATOM 652 CD GLN A 43 -12.379 18.838 6.039 1.00 0.00 C ATOM 653 OE1 GLN A 43 -13.174 19.161 6.922 1.00 0.00 O ATOM 654 NE2 GLN A 43 -12.115 19.614 4.994 1.00 0.00 N ATOM 0 H GLN A 43 -12.891 15.081 5.215 1.00 0.00 H new ATOM 0 HA GLN A 43 -10.662 15.106 7.038 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.331 16.571 7.022 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.010 16.914 8.122 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -10.599 17.693 6.348 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.663 17.046 5.115 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.449 19.306 4.286 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.578 20.518 4.900 1.00 0.00 H new ATOM 663 N PHE A 44 -13.605 13.977 8.040 1.00 0.00 N ATOM 664 CA PHE A 44 -14.263 13.166 9.059 1.00 0.00 C ATOM 665 C PHE A 44 -13.522 11.848 9.266 1.00 0.00 C ATOM 666 O PHE A 44 -13.332 11.403 10.399 1.00 0.00 O ATOM 667 CB PHE A 44 -15.715 12.891 8.664 1.00 0.00 C ATOM 668 CG PHE A 44 -15.851 12.008 7.456 1.00 0.00 C ATOM 669 CD1 PHE A 44 -15.631 12.513 6.184 1.00 0.00 C ATOM 670 CD2 PHE A 44 -16.197 10.674 7.592 1.00 0.00 C ATOM 671 CE1 PHE A 44 -15.756 11.703 5.072 1.00 0.00 C ATOM 672 CE2 PHE A 44 -16.323 9.859 6.483 1.00 0.00 C ATOM 673 CZ PHE A 44 -16.101 10.374 5.221 1.00 0.00 C ATOM 0 H PHE A 44 -14.222 14.298 7.293 1.00 0.00 H new ATOM 0 HA PHE A 44 -14.248 13.723 9.996 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -16.230 12.425 9.504 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -16.216 13.839 8.469 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -15.359 13.551 6.061 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -16.370 10.266 8.577 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -15.584 12.109 4.086 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -16.595 8.821 6.603 1.00 0.00 H new ATOM 0 HZ PHE A 44 -16.197 9.739 4.353 1.00 0.00 H new ATOM 683 N ILE A 45 -13.106 11.231 8.166 1.00 0.00 N ATOM 684 CA ILE A 45 -12.386 9.965 8.227 1.00 0.00 C ATOM 685 C ILE A 45 -11.528 9.880 9.485 1.00 0.00 C ATOM 686 O ILE A 45 -10.922 10.867 9.901 1.00 0.00 O ATOM 687 CB ILE A 45 -11.488 9.768 6.992 1.00 0.00 C ATOM 688 CG1 ILE A 45 -11.063 8.303 6.871 1.00 0.00 C ATOM 689 CG2 ILE A 45 -10.268 10.674 7.074 1.00 0.00 C ATOM 690 CD1 ILE A 45 -10.326 7.991 5.587 1.00 0.00 C ATOM 0 H ILE A 45 -13.255 11.587 7.222 1.00 0.00 H new ATOM 0 HA ILE A 45 -13.137 9.176 8.249 1.00 0.00 H new ATOM 0 HB ILE A 45 -12.057 10.036 6.102 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.426 8.047 7.717 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -11.948 7.670 6.935 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.643 10.523 6.194 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.590 11.715 7.117 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.696 10.434 7.970 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -10.056 6.935 5.570 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -10.968 8.215 4.735 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.422 8.598 5.530 1.00 0.00 H new ATOM 702 N GLN A 46 -11.480 8.695 10.084 1.00 0.00 N ATOM 703 CA GLN A 46 -10.694 8.482 11.293 1.00 0.00 C ATOM 704 C GLN A 46 -9.282 8.021 10.951 1.00 0.00 C ATOM 705 O GLN A 46 -8.328 8.326 11.666 1.00 0.00 O ATOM 706 CB GLN A 46 -11.376 7.450 12.194 1.00 0.00 C ATOM 707 CG GLN A 46 -12.367 8.058 13.173 1.00 0.00 C ATOM 708 CD GLN A 46 -12.549 7.213 14.419 1.00 0.00 C ATOM 709 OE1 GLN A 46 -11.896 6.183 14.585 1.00 0.00 O ATOM 710 NE2 GLN A 46 -13.441 7.645 15.302 1.00 0.00 N ATOM 0 H GLN A 46 -11.976 7.868 9.752 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.627 9.431 11.824 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.894 6.722 11.570 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.613 6.907 12.752 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -12.025 9.053 13.460 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.331 8.182 12.679 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -13.960 8.505 15.124 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.607 7.117 16.159 1.00 0.00 H new ATOM 719 N GLY A 47 -9.155 7.284 9.851 1.00 0.00 N ATOM 720 CA GLY A 47 -7.855 6.793 9.434 1.00 0.00 C ATOM 721 C GLY A 47 -7.926 5.974 8.160 1.00 0.00 C ATOM 722 O GLY A 47 -8.463 6.430 7.150 1.00 0.00 O ATOM 0 H GLY A 47 -9.929 7.019 9.242 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.183 7.637 9.282 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.427 6.184 10.230 1.00 0.00 H new ATOM 726 N TYR A 48 -7.383 4.763 8.206 1.00 0.00 N ATOM 727 CA TYR A 48 -7.384 3.880 7.046 1.00 0.00 C ATOM 728 C TYR A 48 -7.191 2.427 7.467 1.00 0.00 C ATOM 729 O TYR A 48 -6.275 2.105 8.224 1.00 0.00 O ATOM 730 CB TYR A 48 -6.283 4.290 6.066 1.00 0.00 C ATOM 731 CG TYR A 48 -6.596 5.554 5.298 1.00 0.00 C ATOM 732 CD1 TYR A 48 -7.544 5.556 4.282 1.00 0.00 C ATOM 733 CD2 TYR A 48 -5.942 6.746 5.587 1.00 0.00 C ATOM 734 CE1 TYR A 48 -7.832 6.709 3.577 1.00 0.00 C ATOM 735 CE2 TYR A 48 -6.226 7.903 4.888 1.00 0.00 C ATOM 736 CZ TYR A 48 -7.171 7.880 3.884 1.00 0.00 C ATOM 737 OH TYR A 48 -7.455 9.030 3.184 1.00 0.00 O ATOM 0 H TYR A 48 -6.936 4.370 9.035 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.352 3.970 6.553 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.352 4.430 6.616 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.116 3.477 5.359 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.064 4.641 4.039 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.200 6.768 6.371 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.571 6.693 2.790 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.710 8.821 5.127 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.658 9.754 3.813 1.00 0.00 H new ATOM 747 N ARG A 49 -8.060 1.553 6.969 1.00 0.00 N ATOM 748 CA ARG A 49 -7.986 0.133 7.293 1.00 0.00 C ATOM 749 C ARG A 49 -7.470 -0.670 6.103 1.00 0.00 C ATOM 750 O ARG A 49 -8.217 -0.968 5.171 1.00 0.00 O ATOM 751 CB ARG A 49 -9.361 -0.387 7.716 1.00 0.00 C ATOM 752 CG ARG A 49 -9.299 -1.595 8.636 1.00 0.00 C ATOM 753 CD ARG A 49 -9.208 -1.179 10.096 1.00 0.00 C ATOM 754 NE ARG A 49 -9.069 -2.329 10.985 1.00 0.00 N ATOM 755 CZ ARG A 49 -9.267 -2.272 12.297 1.00 0.00 C ATOM 756 NH1 ARG A 49 -9.613 -1.127 12.870 1.00 0.00 N ATOM 757 NH2 ARG A 49 -9.121 -3.362 13.040 1.00 0.00 N ATOM 0 H ARG A 49 -8.823 1.803 6.340 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.288 0.010 8.121 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.904 0.414 8.218 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.931 -0.649 6.825 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.184 -2.213 8.487 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.436 -2.207 8.376 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.357 -0.512 10.230 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.100 -0.616 10.369 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.805 -3.225 10.576 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.728 -0.287 12.303 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.764 -1.086 13.878 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.856 -4.245 12.603 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.273 -3.317 14.048 1.00 0.00 H new ATOM 771 N VAL A 50 -6.188 -1.018 6.141 1.00 0.00 N ATOM 772 CA VAL A 50 -5.571 -1.787 5.067 1.00 0.00 C ATOM 773 C VAL A 50 -5.879 -3.273 5.208 1.00 0.00 C ATOM 774 O VAL A 50 -5.282 -3.965 6.032 1.00 0.00 O ATOM 775 CB VAL A 50 -4.044 -1.590 5.041 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.419 -2.413 3.925 1.00 0.00 C ATOM 777 CG2 VAL A 50 -3.699 -0.117 4.886 1.00 0.00 C ATOM 0 H VAL A 50 -5.556 -0.779 6.905 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.993 -1.419 4.132 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.634 -1.937 5.989 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.340 -2.261 3.922 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.637 -3.469 4.086 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.832 -2.099 2.966 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.616 0.003 4.870 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.120 0.259 3.954 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.114 0.444 5.724 1.00 0.00 H new ATOM 787 N MET A 51 -6.816 -3.757 4.399 1.00 0.00 N ATOM 788 CA MET A 51 -7.202 -5.163 4.433 1.00 0.00 C ATOM 789 C MET A 51 -6.308 -5.995 3.519 1.00 0.00 C ATOM 790 O MET A 51 -6.009 -5.593 2.394 1.00 0.00 O ATOM 791 CB MET A 51 -8.665 -5.322 4.016 1.00 0.00 C ATOM 792 CG MET A 51 -9.640 -5.250 5.180 1.00 0.00 C ATOM 793 SD MET A 51 -11.329 -5.657 4.698 1.00 0.00 S ATOM 794 CE MET A 51 -11.124 -7.346 4.138 1.00 0.00 C ATOM 0 H MET A 51 -7.322 -3.197 3.713 1.00 0.00 H new ATOM 0 HA MET A 51 -7.081 -5.522 5.455 1.00 0.00 H new ATOM 0 HB2 MET A 51 -8.915 -4.544 3.295 1.00 0.00 H new ATOM 0 HB3 MET A 51 -8.788 -6.279 3.509 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.315 -5.934 5.964 1.00 0.00 H new ATOM 0 HG3 MET A 51 -9.619 -4.246 5.605 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.229 -7.385 3.054 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.134 -7.705 4.420 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.884 -7.977 4.599 1.00 0.00 H new ATOM 804 N TYR A 52 -5.884 -7.154 4.009 1.00 0.00 N ATOM 805 CA TYR A 52 -5.022 -8.041 3.237 1.00 0.00 C ATOM 806 C TYR A 52 -5.255 -9.499 3.622 1.00 0.00 C ATOM 807 O TYR A 52 -5.702 -9.796 4.730 1.00 0.00 O ATOM 808 CB TYR A 52 -3.553 -7.674 3.454 1.00 0.00 C ATOM 809 CG TYR A 52 -3.102 -7.805 4.892 1.00 0.00 C ATOM 810 CD1 TYR A 52 -3.591 -6.953 5.874 1.00 0.00 C ATOM 811 CD2 TYR A 52 -2.187 -8.781 5.267 1.00 0.00 C ATOM 812 CE1 TYR A 52 -3.181 -7.069 7.188 1.00 0.00 C ATOM 813 CE2 TYR A 52 -1.772 -8.905 6.579 1.00 0.00 C ATOM 814 CZ TYR A 52 -2.272 -8.047 7.536 1.00 0.00 C ATOM 815 OH TYR A 52 -1.862 -8.166 8.844 1.00 0.00 O ATOM 0 H TYR A 52 -6.123 -7.502 4.938 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.269 -7.919 2.182 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.931 -8.313 2.827 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.391 -6.648 3.123 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.304 -6.187 5.606 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.793 -9.454 4.520 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.570 -6.398 7.939 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.060 -9.669 6.854 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.222 -8.904 8.920 1.00 0.00 H new ATOM 825 N ARG A 53 -4.949 -10.404 2.698 1.00 0.00 N ATOM 826 CA ARG A 53 -5.126 -11.831 2.939 1.00 0.00 C ATOM 827 C ARG A 53 -4.502 -12.653 1.814 1.00 0.00 C ATOM 828 O ARG A 53 -4.165 -12.120 0.757 1.00 0.00 O ATOM 829 CB ARG A 53 -6.612 -12.168 3.067 1.00 0.00 C ATOM 830 CG ARG A 53 -7.354 -12.170 1.740 1.00 0.00 C ATOM 831 CD ARG A 53 -8.560 -13.096 1.777 1.00 0.00 C ATOM 832 NE ARG A 53 -9.044 -13.417 0.438 1.00 0.00 N ATOM 833 CZ ARG A 53 -10.256 -13.902 0.191 1.00 0.00 C ATOM 834 NH1 ARG A 53 -11.102 -14.121 1.189 1.00 0.00 N ATOM 835 NH2 ARG A 53 -10.624 -14.170 -1.055 1.00 0.00 N ATOM 0 H ARG A 53 -4.578 -10.175 1.776 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.622 -12.082 3.873 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.715 -13.148 3.532 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.083 -11.447 3.736 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.679 -11.157 1.502 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.678 -12.483 0.944 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.294 -14.017 2.297 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.360 -12.626 2.349 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.417 -13.260 -0.351 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.823 -13.917 2.149 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.032 -14.493 0.997 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.976 -14.004 -1.825 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.555 -14.542 -1.243 1.00 0.00 H new ATOM 849 N GLN A 54 -4.353 -13.952 2.051 1.00 0.00 N ATOM 850 CA GLN A 54 -3.769 -14.847 1.059 1.00 0.00 C ATOM 851 C GLN A 54 -4.831 -15.346 0.084 1.00 0.00 C ATOM 852 O GLN A 54 -5.971 -15.607 0.470 1.00 0.00 O ATOM 853 CB GLN A 54 -3.093 -16.034 1.746 1.00 0.00 C ATOM 854 CG GLN A 54 -1.995 -16.675 0.913 1.00 0.00 C ATOM 855 CD GLN A 54 -1.141 -17.638 1.714 1.00 0.00 C ATOM 856 OE1 GLN A 54 -0.151 -17.243 2.331 1.00 0.00 O ATOM 857 NE2 GLN A 54 -1.520 -18.910 1.710 1.00 0.00 N ATOM 0 H GLN A 54 -4.628 -14.408 2.921 1.00 0.00 H new ATOM 0 HA GLN A 54 -3.021 -14.287 0.498 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.671 -15.702 2.694 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.847 -16.786 1.979 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.444 -17.206 0.074 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.360 -15.895 0.494 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.347 -19.194 1.185 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.984 -19.603 2.232 1.00 0.00 H new ATOM 866 N THR A 55 -4.450 -15.476 -1.183 1.00 0.00 N ATOM 867 CA THR A 55 -5.369 -15.942 -2.214 1.00 0.00 C ATOM 868 C THR A 55 -5.240 -17.446 -2.426 1.00 0.00 C ATOM 869 O THR A 55 -6.239 -18.162 -2.492 1.00 0.00 O ATOM 870 CB THR A 55 -5.123 -15.223 -3.553 1.00 0.00 C ATOM 871 OG1 THR A 55 -3.764 -15.405 -3.965 1.00 0.00 O ATOM 872 CG2 THR A 55 -5.426 -13.737 -3.433 1.00 0.00 C ATOM 0 H THR A 55 -3.511 -15.265 -1.520 1.00 0.00 H new ATOM 0 HA THR A 55 -6.376 -15.712 -1.867 1.00 0.00 H new ATOM 0 HB THR A 55 -5.790 -15.655 -4.299 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.178 -14.841 -3.418 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.245 -13.250 -4.391 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.469 -13.600 -3.148 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.781 -13.294 -2.674 1.00 0.00 H new ATOM 880 N SER A 56 -4.002 -17.920 -2.533 1.00 0.00 N ATOM 881 CA SER A 56 -3.742 -19.339 -2.742 1.00 0.00 C ATOM 882 C SER A 56 -2.886 -19.906 -1.614 1.00 0.00 C ATOM 883 O SER A 56 -2.083 -19.195 -1.012 1.00 0.00 O ATOM 884 CB SER A 56 -3.047 -19.560 -4.087 1.00 0.00 C ATOM 885 OG SER A 56 -2.964 -20.940 -4.398 1.00 0.00 O ATOM 0 H SER A 56 -3.164 -17.341 -2.478 1.00 0.00 H new ATOM 0 HA SER A 56 -4.699 -19.862 -2.746 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.595 -19.039 -4.873 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.046 -19.130 -4.058 1.00 0.00 H new ATOM 0 HG SER A 56 -2.517 -21.054 -5.263 1.00 0.00 H new ATOM 891 N GLY A 57 -3.063 -21.194 -1.334 1.00 0.00 N ATOM 892 CA GLY A 57 -2.301 -21.836 -0.280 1.00 0.00 C ATOM 893 C GLY A 57 -3.179 -22.333 0.851 1.00 0.00 C ATOM 894 O GLY A 57 -4.307 -22.774 0.624 1.00 0.00 O ATOM 0 H GLY A 57 -3.721 -21.804 -1.819 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.744 -22.674 -0.698 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.569 -21.132 0.115 1.00 0.00 H new ATOM 898 N LEU A 58 -2.663 -22.264 2.073 1.00 0.00 N ATOM 899 CA LEU A 58 -3.408 -22.712 3.245 1.00 0.00 C ATOM 900 C LEU A 58 -4.297 -21.596 3.784 1.00 0.00 C ATOM 901 O LEU A 58 -5.484 -21.803 4.035 1.00 0.00 O ATOM 902 CB LEU A 58 -2.445 -23.184 4.336 1.00 0.00 C ATOM 903 CG LEU A 58 -2.985 -24.247 5.293 1.00 0.00 C ATOM 904 CD1 LEU A 58 -4.006 -23.640 6.244 1.00 0.00 C ATOM 905 CD2 LEU A 58 -3.599 -25.402 4.516 1.00 0.00 C ATOM 0 H LEU A 58 -1.732 -21.902 2.278 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.044 -23.545 2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.549 -23.577 3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.139 -22.318 4.922 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.154 -24.633 5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.379 -24.411 6.918 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.535 -22.847 6.825 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.836 -23.226 5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.978 -26.149 5.213 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.419 -25.031 3.900 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.841 -25.854 3.877 1.00 0.00 H new ATOM 917 N GLN A 59 -3.716 -20.414 3.957 1.00 0.00 N ATOM 918 CA GLN A 59 -4.456 -19.265 4.465 1.00 0.00 C ATOM 919 C GLN A 59 -5.198 -18.554 3.338 1.00 0.00 C ATOM 920 O GLN A 59 -5.481 -17.359 3.425 1.00 0.00 O ATOM 921 CB GLN A 59 -3.509 -18.289 5.164 1.00 0.00 C ATOM 922 CG GLN A 59 -3.107 -18.727 6.563 1.00 0.00 C ATOM 923 CD GLN A 59 -4.301 -18.937 7.474 1.00 0.00 C ATOM 924 OE1 GLN A 59 -5.129 -18.042 7.648 1.00 0.00 O ATOM 925 NE2 GLN A 59 -4.396 -20.124 8.062 1.00 0.00 N ATOM 0 H GLN A 59 -2.734 -20.226 3.753 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.189 -19.627 5.186 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.611 -18.170 4.558 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.987 -17.311 5.222 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -2.536 -19.653 6.500 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.449 -17.976 7.000 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.687 -20.837 7.889 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.178 -20.323 8.686 1.00 0.00 H new ATOM 934 N ALA A 60 -5.508 -19.296 2.280 1.00 0.00 N ATOM 935 CA ALA A 60 -6.218 -18.736 1.136 1.00 0.00 C ATOM 936 C ALA A 60 -7.707 -18.589 1.432 1.00 0.00 C ATOM 937 O ALA A 60 -8.307 -19.439 2.090 1.00 0.00 O ATOM 938 CB ALA A 60 -6.006 -19.606 -0.094 1.00 0.00 C ATOM 0 H ALA A 60 -5.279 -20.286 2.191 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.814 -17.743 0.939 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.542 -19.176 -0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.942 -19.656 -0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.382 -20.610 0.101 1.00 0.00 H new ATOM 944 N THR A 61 -8.299 -17.505 0.941 1.00 0.00 N ATOM 945 CA THR A 61 -9.717 -17.245 1.155 1.00 0.00 C ATOM 946 C THR A 61 -10.192 -17.843 2.474 1.00 0.00 C ATOM 947 O THR A 61 -11.295 -18.383 2.560 1.00 0.00 O ATOM 948 CB THR A 61 -10.571 -17.818 0.008 1.00 0.00 C ATOM 949 OG1 THR A 61 -11.856 -17.185 -0.009 1.00 0.00 O ATOM 950 CG2 THR A 61 -10.743 -19.321 0.159 1.00 0.00 C ATOM 0 H THR A 61 -7.818 -16.793 0.392 1.00 0.00 H new ATOM 0 HA THR A 61 -9.840 -16.162 1.185 1.00 0.00 H new ATOM 0 HB THR A 61 -10.056 -17.620 -0.932 1.00 0.00 H new ATOM 0 HG1 THR A 61 -12.285 -17.292 0.866 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.349 -19.702 -0.663 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.765 -19.803 0.142 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.238 -19.537 1.106 1.00 0.00 H new ATOM 958 N SER A 62 -9.354 -17.741 3.501 1.00 0.00 N ATOM 959 CA SER A 62 -9.688 -18.275 4.816 1.00 0.00 C ATOM 960 C SER A 62 -10.273 -17.186 5.711 1.00 0.00 C ATOM 961 O SER A 62 -11.390 -17.312 6.211 1.00 0.00 O ATOM 962 CB SER A 62 -8.447 -18.880 5.474 1.00 0.00 C ATOM 963 OG SER A 62 -8.785 -19.558 6.672 1.00 0.00 O ATOM 0 H SER A 62 -8.439 -17.293 3.448 1.00 0.00 H new ATOM 0 HA SER A 62 -10.438 -19.055 4.685 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.966 -19.573 4.783 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.725 -18.092 5.689 1.00 0.00 H new ATOM 0 HG SER A 62 -7.975 -19.937 7.073 1.00 0.00 H new ATOM 969 N SER A 63 -9.508 -16.117 5.908 1.00 0.00 N ATOM 970 CA SER A 63 -9.947 -15.007 6.746 1.00 0.00 C ATOM 971 C SER A 63 -9.212 -13.723 6.375 1.00 0.00 C ATOM 972 O SER A 63 -7.982 -13.688 6.336 1.00 0.00 O ATOM 973 CB SER A 63 -9.715 -15.333 8.223 1.00 0.00 C ATOM 974 OG SER A 63 -10.634 -16.309 8.680 1.00 0.00 O ATOM 0 H SER A 63 -8.581 -15.996 5.499 1.00 0.00 H new ATOM 0 HA SER A 63 -11.013 -14.856 6.578 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.696 -15.694 8.363 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.816 -14.426 8.819 1.00 0.00 H new ATOM 0 HG SER A 63 -11.053 -16.749 7.911 1.00 0.00 H new ATOM 980 N TRP A 64 -9.974 -12.670 6.104 1.00 0.00 N ATOM 981 CA TRP A 64 -9.396 -11.382 5.736 1.00 0.00 C ATOM 982 C TRP A 64 -8.839 -10.665 6.961 1.00 0.00 C ATOM 983 O TRP A 64 -9.427 -10.718 8.041 1.00 0.00 O ATOM 984 CB TRP A 64 -10.445 -10.506 5.050 1.00 0.00 C ATOM 985 CG TRP A 64 -10.499 -10.696 3.564 1.00 0.00 C ATOM 986 CD1 TRP A 64 -11.363 -11.494 2.870 1.00 0.00 C ATOM 987 CD2 TRP A 64 -9.650 -10.078 2.590 1.00 0.00 C ATOM 988 NE1 TRP A 64 -11.104 -11.408 1.524 1.00 0.00 N ATOM 989 CE2 TRP A 64 -10.058 -10.546 1.326 1.00 0.00 C ATOM 990 CE3 TRP A 64 -8.588 -9.174 2.663 1.00 0.00 C ATOM 991 CZ2 TRP A 64 -9.439 -10.139 0.147 1.00 0.00 C ATOM 992 CZ3 TRP A 64 -7.974 -8.772 1.492 1.00 0.00 C ATOM 993 CH2 TRP A 64 -8.401 -9.253 0.248 1.00 0.00 C ATOM 0 H TRP A 64 -10.994 -12.682 6.132 1.00 0.00 H new ATOM 0 HA TRP A 64 -8.576 -11.565 5.042 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -11.425 -10.727 5.473 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.232 -9.459 5.268 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -12.136 -12.103 3.314 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -11.609 -11.905 0.790 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -8.253 -8.796 3.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -9.766 -10.509 -0.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -7.150 -8.075 1.537 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -7.901 -8.918 -0.649 1.00 0.00 H new ATOM 1004 N GLN A 65 -7.704 -9.997 6.785 1.00 0.00 N ATOM 1005 CA GLN A 65 -7.069 -9.270 7.878 1.00 0.00 C ATOM 1006 C GLN A 65 -7.281 -7.767 7.728 1.00 0.00 C ATOM 1007 O GLN A 65 -7.626 -7.284 6.650 1.00 0.00 O ATOM 1008 CB GLN A 65 -5.573 -9.584 7.926 1.00 0.00 C ATOM 1009 CG GLN A 65 -5.266 -11.052 8.176 1.00 0.00 C ATOM 1010 CD GLN A 65 -3.874 -11.443 7.723 1.00 0.00 C ATOM 1011 OE1 GLN A 65 -2.893 -11.225 8.436 1.00 0.00 O ATOM 1012 NE2 GLN A 65 -3.779 -12.024 6.533 1.00 0.00 N ATOM 0 H GLN A 65 -7.205 -9.944 5.897 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.531 -9.592 8.812 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.117 -9.282 6.984 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.110 -8.986 8.711 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.371 -11.265 9.240 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.000 -11.667 7.654 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.618 -12.185 5.976 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.867 -12.309 6.176 1.00 0.00 H new ATOM 1021 N ASN A 66 -7.073 -7.033 8.816 1.00 0.00 N ATOM 1022 CA ASN A 66 -7.242 -5.585 8.805 1.00 0.00 C ATOM 1023 C ASN A 66 -6.138 -4.902 9.608 1.00 0.00 C ATOM 1024 O ASN A 66 -5.974 -5.159 10.801 1.00 0.00 O ATOM 1025 CB ASN A 66 -8.611 -5.206 9.375 1.00 0.00 C ATOM 1026 CG ASN A 66 -9.687 -6.210 9.009 1.00 0.00 C ATOM 1027 OD1 ASN A 66 -9.643 -6.823 7.942 1.00 0.00 O ATOM 1028 ND2 ASN A 66 -10.661 -6.383 9.895 1.00 0.00 N ATOM 0 H ASN A 66 -6.787 -7.417 9.717 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.179 -5.245 7.771 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.542 -5.131 10.460 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.896 -4.221 9.005 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -11.413 -7.045 9.704 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.657 -5.853 10.767 1.00 0.00 H new ATOM 1035 N LEU A 67 -5.385 -4.032 8.945 1.00 0.00 N ATOM 1036 CA LEU A 67 -4.296 -3.311 9.596 1.00 0.00 C ATOM 1037 C LEU A 67 -4.671 -1.851 9.826 1.00 0.00 C ATOM 1038 O LEU A 67 -4.625 -1.035 8.905 1.00 0.00 O ATOM 1039 CB LEU A 67 -3.024 -3.396 8.751 1.00 0.00 C ATOM 1040 CG LEU A 67 -1.863 -2.505 9.193 1.00 0.00 C ATOM 1041 CD1 LEU A 67 -1.212 -3.061 10.450 1.00 0.00 C ATOM 1042 CD2 LEU A 67 -0.840 -2.368 8.076 1.00 0.00 C ATOM 0 H LEU A 67 -5.508 -3.808 7.957 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.113 -3.777 10.564 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.681 -4.431 8.750 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.278 -3.143 7.722 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.257 -1.514 9.420 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.388 -2.414 10.750 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.949 -3.105 11.252 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.832 -4.063 10.250 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.021 -1.730 8.409 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.451 -3.352 7.816 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.314 -1.923 7.201 1.00 0.00 H new ATOM 1054 N ASP A 68 -5.041 -1.527 11.060 1.00 0.00 N ATOM 1055 CA ASP A 68 -5.421 -0.164 11.412 1.00 0.00 C ATOM 1056 C ASP A 68 -4.199 0.749 11.447 1.00 0.00 C ATOM 1057 O ASP A 68 -3.224 0.471 12.145 1.00 0.00 O ATOM 1058 CB ASP A 68 -6.127 -0.143 12.769 1.00 0.00 C ATOM 1059 CG ASP A 68 -5.482 -1.079 13.772 1.00 0.00 C ATOM 1060 OD1 ASP A 68 -4.243 -1.031 13.917 1.00 0.00 O ATOM 1061 OD2 ASP A 68 -6.217 -1.858 14.413 1.00 0.00 O ATOM 0 H ASP A 68 -5.086 -2.190 11.834 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.106 0.204 10.649 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.116 0.872 13.165 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.172 -0.422 12.636 1.00 0.00 H new ATOM 1066 N ALA A 69 -4.259 1.838 10.688 1.00 0.00 N ATOM 1067 CA ALA A 69 -3.159 2.792 10.633 1.00 0.00 C ATOM 1068 C ALA A 69 -3.285 3.841 11.733 1.00 0.00 C ATOM 1069 O ALA A 69 -2.290 4.417 12.173 1.00 0.00 O ATOM 1070 CB ALA A 69 -3.108 3.461 9.267 1.00 0.00 C ATOM 0 H ALA A 69 -5.058 2.081 10.103 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.230 2.246 10.793 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.282 4.171 9.240 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.961 2.704 8.496 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.045 3.988 9.085 1.00 0.00 H new ATOM 1076 N LYS A 70 -4.515 4.084 12.173 1.00 0.00 N ATOM 1077 CA LYS A 70 -4.772 5.063 13.222 1.00 0.00 C ATOM 1078 C LYS A 70 -4.184 6.422 12.855 1.00 0.00 C ATOM 1079 O LYS A 70 -3.726 7.166 13.722 1.00 0.00 O ATOM 1080 CB LYS A 70 -4.184 4.584 14.551 1.00 0.00 C ATOM 1081 CG LYS A 70 -4.864 3.343 15.105 1.00 0.00 C ATOM 1082 CD LYS A 70 -4.438 3.066 16.536 1.00 0.00 C ATOM 1083 CE LYS A 70 -4.529 1.584 16.868 1.00 0.00 C ATOM 1084 NZ LYS A 70 -4.163 1.309 18.285 1.00 0.00 N ATOM 0 H LYS A 70 -5.349 3.616 11.819 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.852 5.170 13.327 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.123 4.377 14.415 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.261 5.388 15.283 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.946 3.471 15.065 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.621 2.484 14.479 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.415 3.411 16.685 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.069 3.633 17.221 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.543 1.231 16.680 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.869 1.023 16.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.238 0.289 18.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.186 1.622 18.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.809 1.824 18.917 1.00 0.00 H new ATOM 1098 N VAL A 71 -4.202 6.740 11.564 1.00 0.00 N ATOM 1099 CA VAL A 71 -3.673 8.011 11.083 1.00 0.00 C ATOM 1100 C VAL A 71 -4.323 8.412 9.764 1.00 0.00 C ATOM 1101 O VAL A 71 -4.026 7.860 8.704 1.00 0.00 O ATOM 1102 CB VAL A 71 -2.146 7.947 10.892 1.00 0.00 C ATOM 1103 CG1 VAL A 71 -1.613 9.282 10.396 1.00 0.00 C ATOM 1104 CG2 VAL A 71 -1.464 7.540 12.190 1.00 0.00 C ATOM 0 H VAL A 71 -4.577 6.135 10.833 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.906 8.758 11.841 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.923 7.192 10.138 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.533 9.217 10.267 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.078 9.528 9.441 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.846 10.060 11.124 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.386 7.500 12.037 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.694 8.270 12.966 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.824 6.558 12.498 1.00 0.00 H new ATOM 1114 N PRO A 72 -5.232 9.396 9.827 1.00 0.00 N ATOM 1115 CA PRO A 72 -5.942 9.895 8.645 1.00 0.00 C ATOM 1116 C PRO A 72 -5.027 10.667 7.702 1.00 0.00 C ATOM 1117 O PRO A 72 -5.332 10.831 6.520 1.00 0.00 O ATOM 1118 CB PRO A 72 -7.007 10.822 9.237 1.00 0.00 C ATOM 1119 CG PRO A 72 -6.444 11.259 10.545 1.00 0.00 C ATOM 1120 CD PRO A 72 -5.636 10.099 11.056 1.00 0.00 C ATOM 0 HA PRO A 72 -6.351 9.084 8.042 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.198 11.674 8.584 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.956 10.302 9.368 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.821 12.146 10.425 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.238 11.519 11.244 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.772 10.433 11.630 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.225 9.457 11.711 1.00 0.00 H new ATOM 1128 N THR A 73 -3.903 11.141 8.230 1.00 0.00 N ATOM 1129 CA THR A 73 -2.944 11.897 7.436 1.00 0.00 C ATOM 1130 C THR A 73 -2.013 10.967 6.666 1.00 0.00 C ATOM 1131 O THR A 73 -1.500 11.326 5.607 1.00 0.00 O ATOM 1132 CB THR A 73 -2.099 12.836 8.318 1.00 0.00 C ATOM 1133 OG1 THR A 73 -1.422 12.080 9.328 1.00 0.00 O ATOM 1134 CG2 THR A 73 -2.972 13.897 8.970 1.00 0.00 C ATOM 0 H THR A 73 -3.635 11.014 9.206 1.00 0.00 H new ATOM 0 HA THR A 73 -3.521 12.495 6.731 1.00 0.00 H new ATOM 0 HB THR A 73 -1.365 13.333 7.684 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.886 12.683 9.884 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.353 14.548 9.588 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.463 14.489 8.198 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.726 13.415 9.593 1.00 0.00 H new ATOM 1142 N GLU A 74 -1.801 9.771 7.205 1.00 0.00 N ATOM 1143 CA GLU A 74 -0.931 8.789 6.568 1.00 0.00 C ATOM 1144 C GLU A 74 -1.659 8.073 5.434 1.00 0.00 C ATOM 1145 O GLU A 74 -2.740 7.518 5.629 1.00 0.00 O ATOM 1146 CB GLU A 74 -0.436 7.770 7.595 1.00 0.00 C ATOM 1147 CG GLU A 74 0.866 8.169 8.270 1.00 0.00 C ATOM 1148 CD GLU A 74 2.087 7.670 7.521 1.00 0.00 C ATOM 1149 OE1 GLU A 74 2.490 8.328 6.539 1.00 0.00 O ATOM 1150 OE2 GLU A 74 2.640 6.622 7.918 1.00 0.00 O ATOM 0 H GLU A 74 -2.220 9.458 8.081 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.074 9.317 6.150 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.203 7.633 8.357 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.300 6.807 7.103 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.912 9.255 8.350 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.881 7.774 9.286 1.00 0.00 H new ATOM 1157 N ARG A 75 -1.058 8.090 4.249 1.00 0.00 N ATOM 1158 CA ARG A 75 -1.649 7.444 3.083 1.00 0.00 C ATOM 1159 C ARG A 75 -0.754 6.317 2.574 1.00 0.00 C ATOM 1160 O ARG A 75 -0.732 6.021 1.379 1.00 0.00 O ATOM 1161 CB ARG A 75 -1.882 8.467 1.970 1.00 0.00 C ATOM 1162 CG ARG A 75 -3.245 9.136 2.032 1.00 0.00 C ATOM 1163 CD ARG A 75 -3.237 10.485 1.331 1.00 0.00 C ATOM 1164 NE ARG A 75 -2.238 11.388 1.894 1.00 0.00 N ATOM 1165 CZ ARG A 75 -2.019 12.618 1.441 1.00 0.00 C ATOM 1166 NH1 ARG A 75 -2.727 13.088 0.423 1.00 0.00 N ATOM 1167 NH2 ARG A 75 -1.092 13.380 2.006 1.00 0.00 N ATOM 0 H ARG A 75 -0.162 8.544 4.071 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.607 7.018 3.381 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.108 9.233 2.024 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.773 7.972 1.005 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.990 8.489 1.569 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.540 9.268 3.073 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.038 10.341 0.269 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.224 10.941 1.411 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.677 11.057 2.679 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.441 12.505 -0.014 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.557 14.032 0.077 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.546 13.022 2.790 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.925 14.324 1.657 1.00 0.00 H new ATOM 1181 N SER A 76 -0.019 5.694 3.489 1.00 0.00 N ATOM 1182 CA SER A 76 0.881 4.603 3.132 1.00 0.00 C ATOM 1183 C SER A 76 1.171 3.720 4.342 1.00 0.00 C ATOM 1184 O SER A 76 1.388 4.215 5.448 1.00 0.00 O ATOM 1185 CB SER A 76 2.190 5.157 2.566 1.00 0.00 C ATOM 1186 OG SER A 76 2.812 6.036 3.487 1.00 0.00 O ATOM 0 H SER A 76 -0.029 5.925 4.482 1.00 0.00 H new ATOM 0 HA SER A 76 0.392 3.997 2.370 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.865 4.334 2.331 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.992 5.684 1.632 1.00 0.00 H new ATOM 0 HG SER A 76 3.647 6.375 3.103 1.00 0.00 H new ATOM 1192 N ALA A 77 1.171 2.409 4.124 1.00 0.00 N ATOM 1193 CA ALA A 77 1.436 1.456 5.195 1.00 0.00 C ATOM 1194 C ALA A 77 2.376 0.351 4.726 1.00 0.00 C ATOM 1195 O ALA A 77 2.680 0.243 3.538 1.00 0.00 O ATOM 1196 CB ALA A 77 0.132 0.861 5.705 1.00 0.00 C ATOM 0 H ALA A 77 0.990 1.983 3.215 1.00 0.00 H new ATOM 0 HA ALA A 77 1.923 1.989 6.011 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.344 0.151 6.504 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.507 1.658 6.087 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.377 0.348 4.889 1.00 0.00 H new ATOM 1202 N VAL A 78 2.835 -0.468 5.668 1.00 0.00 N ATOM 1203 CA VAL A 78 3.741 -1.565 5.351 1.00 0.00 C ATOM 1204 C VAL A 78 3.308 -2.853 6.042 1.00 0.00 C ATOM 1205 O VAL A 78 3.501 -3.019 7.247 1.00 0.00 O ATOM 1206 CB VAL A 78 5.188 -1.236 5.764 1.00 0.00 C ATOM 1207 CG1 VAL A 78 6.109 -2.409 5.465 1.00 0.00 C ATOM 1208 CG2 VAL A 78 5.669 0.024 5.060 1.00 0.00 C ATOM 0 H VAL A 78 2.594 -0.392 6.656 1.00 0.00 H new ATOM 0 HA VAL A 78 3.702 -1.705 4.271 1.00 0.00 H new ATOM 0 HB VAL A 78 5.209 -1.055 6.839 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.127 -2.158 5.764 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.774 -3.285 6.020 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.087 -2.626 4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.693 0.242 5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.634 -0.126 3.981 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.025 0.861 5.331 1.00 0.00 H new ATOM 1218 N LEU A 79 2.721 -3.762 5.272 1.00 0.00 N ATOM 1219 CA LEU A 79 2.259 -5.037 5.810 1.00 0.00 C ATOM 1220 C LEU A 79 3.433 -5.976 6.069 1.00 0.00 C ATOM 1221 O LEU A 79 4.148 -6.362 5.145 1.00 0.00 O ATOM 1222 CB LEU A 79 1.270 -5.693 4.845 1.00 0.00 C ATOM 1223 CG LEU A 79 0.107 -4.817 4.377 1.00 0.00 C ATOM 1224 CD1 LEU A 79 -0.513 -5.384 3.110 1.00 0.00 C ATOM 1225 CD2 LEU A 79 -0.939 -4.690 5.475 1.00 0.00 C ATOM 0 H LEU A 79 2.554 -3.640 4.273 1.00 0.00 H new ATOM 0 HA LEU A 79 1.757 -4.842 6.758 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.820 -6.031 3.967 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.859 -6.581 5.325 1.00 0.00 H new ATOM 0 HG LEU A 79 0.493 -3.823 4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.339 -4.747 2.792 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.239 -5.422 2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.885 -6.390 3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.759 -4.063 5.125 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.321 -5.679 5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.487 -4.237 6.357 1.00 0.00 H new ATOM 1237 N VAL A 80 3.625 -6.341 7.333 1.00 0.00 N ATOM 1238 CA VAL A 80 4.710 -7.238 7.713 1.00 0.00 C ATOM 1239 C VAL A 80 4.175 -8.609 8.111 1.00 0.00 C ATOM 1240 O VAL A 80 2.969 -8.796 8.266 1.00 0.00 O ATOM 1241 CB VAL A 80 5.531 -6.660 8.881 1.00 0.00 C ATOM 1242 CG1 VAL A 80 6.093 -5.295 8.516 1.00 0.00 C ATOM 1243 CG2 VAL A 80 4.681 -6.576 10.140 1.00 0.00 C ATOM 0 H VAL A 80 3.043 -6.029 8.111 1.00 0.00 H new ATOM 0 HA VAL A 80 5.356 -7.343 6.841 1.00 0.00 H new ATOM 0 HB VAL A 80 6.368 -7.330 9.079 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.670 -4.903 9.354 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.739 -5.389 7.643 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.274 -4.613 8.289 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.277 -6.165 10.955 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.823 -5.930 9.957 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.333 -7.573 10.411 1.00 0.00 H new ATOM 1253 N ASN A 81 5.083 -9.566 8.276 1.00 0.00 N ATOM 1254 CA ASN A 81 4.703 -10.922 8.656 1.00 0.00 C ATOM 1255 C ASN A 81 3.875 -11.583 7.558 1.00 0.00 C ATOM 1256 O ASN A 81 2.780 -12.088 7.810 1.00 0.00 O ATOM 1257 CB ASN A 81 3.912 -10.904 9.966 1.00 0.00 C ATOM 1258 CG ASN A 81 4.643 -10.168 11.072 1.00 0.00 C ATOM 1259 OD1 ASN A 81 5.873 -10.148 11.112 1.00 0.00 O ATOM 1260 ND2 ASN A 81 3.886 -9.558 11.977 1.00 0.00 N ATOM 0 H ASN A 81 6.086 -9.428 8.153 1.00 0.00 H new ATOM 0 HA ASN A 81 5.615 -11.502 8.798 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.944 -10.432 9.797 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.716 -11.928 10.283 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.321 -9.046 12.745 1.00 0.00 H new ATOM 0 HD22 ASN A 81 2.870 -9.601 11.904 1.00 0.00 H new ATOM 1267 N LEU A 82 4.405 -11.577 6.340 1.00 0.00 N ATOM 1268 CA LEU A 82 3.715 -12.176 5.202 1.00 0.00 C ATOM 1269 C LEU A 82 4.378 -13.488 4.794 1.00 0.00 C ATOM 1270 O LEU A 82 5.510 -13.773 5.185 1.00 0.00 O ATOM 1271 CB LEU A 82 3.704 -11.207 4.019 1.00 0.00 C ATOM 1272 CG LEU A 82 3.100 -9.828 4.286 1.00 0.00 C ATOM 1273 CD1 LEU A 82 3.497 -8.850 3.191 1.00 0.00 C ATOM 1274 CD2 LEU A 82 1.585 -9.922 4.396 1.00 0.00 C ATOM 0 H LEU A 82 5.310 -11.164 6.115 1.00 0.00 H new ATOM 0 HA LEU A 82 2.688 -12.386 5.500 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.730 -11.072 3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.153 -11.671 3.201 1.00 0.00 H new ATOM 0 HG LEU A 82 3.491 -9.458 5.234 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.058 -7.874 3.398 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.583 -8.760 3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.135 -9.214 2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.172 -8.931 4.586 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.176 -10.313 3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.320 -10.589 5.216 1.00 0.00 H new ATOM 1286 N LYS A 83 3.665 -14.284 4.004 1.00 0.00 N ATOM 1287 CA LYS A 83 4.183 -15.565 3.538 1.00 0.00 C ATOM 1288 C LYS A 83 5.033 -15.384 2.284 1.00 0.00 C ATOM 1289 O LYS A 83 4.864 -14.417 1.542 1.00 0.00 O ATOM 1290 CB LYS A 83 3.032 -16.531 3.253 1.00 0.00 C ATOM 1291 CG LYS A 83 3.476 -17.974 3.085 1.00 0.00 C ATOM 1292 CD LYS A 83 2.289 -18.920 3.035 1.00 0.00 C ATOM 1293 CE LYS A 83 2.687 -20.335 3.426 1.00 0.00 C ATOM 1294 NZ LYS A 83 2.581 -20.555 4.895 1.00 0.00 N ATOM 0 H LYS A 83 2.726 -14.064 3.673 1.00 0.00 H new ATOM 0 HA LYS A 83 4.812 -15.982 4.324 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.311 -16.474 4.068 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.516 -16.211 2.348 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.059 -18.072 2.169 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.130 -18.253 3.911 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.508 -18.562 3.706 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.868 -18.924 2.030 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.049 -21.049 2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.710 -20.527 3.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.861 -21.531 5.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.209 -19.891 5.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.599 -20.397 5.200 1.00 0.00 H new ATOM 1308 N LYS A 84 5.944 -16.323 2.053 1.00 0.00 N ATOM 1309 CA LYS A 84 6.819 -16.270 0.887 1.00 0.00 C ATOM 1310 C LYS A 84 6.320 -17.206 -0.210 1.00 0.00 C ATOM 1311 O LYS A 84 5.915 -18.335 0.062 1.00 0.00 O ATOM 1312 CB LYS A 84 8.250 -16.643 1.280 1.00 0.00 C ATOM 1313 CG LYS A 84 8.758 -15.901 2.503 1.00 0.00 C ATOM 1314 CD LYS A 84 8.453 -16.661 3.783 1.00 0.00 C ATOM 1315 CE LYS A 84 9.388 -16.251 4.911 1.00 0.00 C ATOM 1316 NZ LYS A 84 9.022 -16.902 6.199 1.00 0.00 N ATOM 0 H LYS A 84 6.096 -17.130 2.658 1.00 0.00 H new ATOM 0 HA LYS A 84 6.809 -15.250 0.502 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.298 -17.715 1.470 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.914 -16.438 0.440 1.00 0.00 H new ATOM 0 HG2 LYS A 84 9.834 -15.749 2.417 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.299 -14.913 2.547 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.420 -16.477 4.080 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.546 -17.732 3.603 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.412 -16.516 4.648 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.360 -15.168 5.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.683 -16.597 6.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.054 -16.629 6.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.074 -17.935 6.093 1.00 0.00 H new ATOM 1330 N GLY A 85 6.354 -16.728 -1.450 1.00 0.00 N ATOM 1331 CA GLY A 85 5.905 -17.536 -2.569 1.00 0.00 C ATOM 1332 C GLY A 85 4.395 -17.665 -2.621 1.00 0.00 C ATOM 1333 O GLY A 85 3.863 -18.770 -2.725 1.00 0.00 O ATOM 0 H GLY A 85 6.684 -15.796 -1.700 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.261 -17.093 -3.499 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.349 -18.529 -2.498 1.00 0.00 H new ATOM 1337 N VAL A 86 3.703 -16.533 -2.546 1.00 0.00 N ATOM 1338 CA VAL A 86 2.245 -16.524 -2.584 1.00 0.00 C ATOM 1339 C VAL A 86 1.710 -15.119 -2.835 1.00 0.00 C ATOM 1340 O VAL A 86 2.216 -14.142 -2.282 1.00 0.00 O ATOM 1341 CB VAL A 86 1.646 -17.063 -1.272 1.00 0.00 C ATOM 1342 CG1 VAL A 86 2.186 -16.288 -0.080 1.00 0.00 C ATOM 1343 CG2 VAL A 86 0.127 -17.001 -1.315 1.00 0.00 C ATOM 0 H VAL A 86 4.128 -15.610 -2.459 1.00 0.00 H new ATOM 0 HA VAL A 86 1.946 -17.175 -3.405 1.00 0.00 H new ATOM 0 HB VAL A 86 1.941 -18.106 -1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.751 -16.683 0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.271 -16.390 -0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.924 -15.235 -0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.279 -17.386 -0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.191 -15.967 -1.451 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.238 -17.605 -2.145 1.00 0.00 H new ATOM 1353 N THR A 87 0.682 -15.023 -3.673 1.00 0.00 N ATOM 1354 CA THR A 87 0.078 -13.737 -3.998 1.00 0.00 C ATOM 1355 C THR A 87 -0.842 -13.264 -2.878 1.00 0.00 C ATOM 1356 O THR A 87 -1.486 -14.071 -2.208 1.00 0.00 O ATOM 1357 CB THR A 87 -0.724 -13.810 -5.311 1.00 0.00 C ATOM 1358 OG1 THR A 87 0.022 -14.524 -6.302 1.00 0.00 O ATOM 1359 CG2 THR A 87 -1.052 -12.415 -5.822 1.00 0.00 C ATOM 0 H THR A 87 0.250 -15.821 -4.139 1.00 0.00 H new ATOM 0 HA THR A 87 0.894 -13.025 -4.119 1.00 0.00 H new ATOM 0 HB THR A 87 -1.658 -14.336 -5.112 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.496 -14.567 -7.133 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.619 -12.491 -6.750 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.645 -11.885 -5.077 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.127 -11.868 -6.005 1.00 0.00 H new ATOM 1367 N TYR A 88 -0.899 -11.951 -2.682 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.739 -11.370 -1.642 1.00 0.00 C ATOM 1369 C TYR A 88 -2.601 -10.243 -2.204 1.00 0.00 C ATOM 1370 O TYR A 88 -2.119 -9.394 -2.953 1.00 0.00 O ATOM 1371 CB TYR A 88 -0.876 -10.843 -0.494 1.00 0.00 C ATOM 1372 CG TYR A 88 -0.580 -11.879 0.566 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -1.427 -12.050 1.654 1.00 0.00 C ATOM 1374 CD2 TYR A 88 0.546 -12.688 0.481 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -1.161 -12.995 2.626 1.00 0.00 C ATOM 1376 CE2 TYR A 88 0.820 -13.636 1.447 1.00 0.00 C ATOM 1377 CZ TYR A 88 -0.036 -13.786 2.518 1.00 0.00 C ATOM 1378 OH TYR A 88 0.234 -14.729 3.483 1.00 0.00 O ATOM 0 H TYR A 88 -0.374 -11.270 -3.230 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.397 -12.152 -1.263 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.065 -10.471 -0.899 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.381 -9.995 -0.031 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.309 -11.433 1.741 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.219 -12.574 -0.356 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.830 -13.114 3.466 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.700 -14.257 1.364 1.00 0.00 H new ATOM 0 HH TYR A 88 0.122 -15.626 3.104 1.00 0.00 H new ATOM 1388 N GLU A 89 -3.878 -10.244 -1.836 1.00 0.00 N ATOM 1389 CA GLU A 89 -4.808 -9.222 -2.303 1.00 0.00 C ATOM 1390 C GLU A 89 -5.027 -8.155 -1.233 1.00 0.00 C ATOM 1391 O GLU A 89 -5.542 -8.442 -0.152 1.00 0.00 O ATOM 1392 CB GLU A 89 -6.146 -9.856 -2.688 1.00 0.00 C ATOM 1393 CG GLU A 89 -7.134 -8.872 -3.292 1.00 0.00 C ATOM 1394 CD GLU A 89 -8.444 -9.527 -3.683 1.00 0.00 C ATOM 1395 OE1 GLU A 89 -8.461 -10.268 -4.688 1.00 0.00 O ATOM 1396 OE2 GLU A 89 -9.453 -9.298 -2.984 1.00 0.00 O ATOM 0 H GLU A 89 -4.292 -10.940 -1.216 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.373 -8.746 -3.182 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.966 -10.661 -3.401 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.592 -10.309 -1.803 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.331 -8.074 -2.576 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.687 -8.408 -4.171 1.00 0.00 H new ATOM 1403 N ILE A 90 -4.631 -6.925 -1.543 1.00 0.00 N ATOM 1404 CA ILE A 90 -4.785 -5.816 -0.610 1.00 0.00 C ATOM 1405 C ILE A 90 -5.615 -4.693 -1.222 1.00 0.00 C ATOM 1406 O ILE A 90 -5.556 -4.449 -2.427 1.00 0.00 O ATOM 1407 CB ILE A 90 -3.419 -5.252 -0.177 1.00 0.00 C ATOM 1408 CG1 ILE A 90 -2.469 -6.391 0.203 1.00 0.00 C ATOM 1409 CG2 ILE A 90 -3.589 -4.287 0.987 1.00 0.00 C ATOM 1410 CD1 ILE A 90 -1.659 -6.915 -0.962 1.00 0.00 C ATOM 0 H ILE A 90 -4.201 -6.672 -2.433 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.301 -6.210 0.266 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.986 -4.707 -1.016 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.789 -6.042 0.980 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.048 -7.210 0.630 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.615 -3.897 1.282 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.234 -3.462 0.684 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.040 -4.810 1.830 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.008 -7.720 -0.620 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.332 -7.294 -1.731 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.053 -6.109 -1.375 1.00 0.00 H new ATOM 1422 N LYS A 91 -6.387 -4.011 -0.383 1.00 0.00 N ATOM 1423 CA LYS A 91 -7.228 -2.910 -0.840 1.00 0.00 C ATOM 1424 C LYS A 91 -7.468 -1.907 0.284 1.00 0.00 C ATOM 1425 O LYS A 91 -7.731 -2.288 1.425 1.00 0.00 O ATOM 1426 CB LYS A 91 -8.566 -3.444 -1.356 1.00 0.00 C ATOM 1427 CG LYS A 91 -9.611 -3.620 -0.268 1.00 0.00 C ATOM 1428 CD LYS A 91 -9.241 -4.745 0.684 1.00 0.00 C ATOM 1429 CE LYS A 91 -9.433 -6.108 0.037 1.00 0.00 C ATOM 1430 NZ LYS A 91 -10.805 -6.642 0.265 1.00 0.00 N ATOM 0 H LYS A 91 -6.448 -4.201 0.617 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.709 -2.401 -1.653 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.953 -2.761 -2.112 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.400 -4.403 -1.847 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.717 -2.690 0.290 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.579 -3.831 -0.723 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.203 -4.632 0.996 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.853 -4.678 1.583 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.247 -6.031 -1.034 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.700 -6.807 0.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.785 -7.681 0.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.143 -6.341 1.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.446 -6.277 -0.468 1.00 0.00 H new ATOM 1444 N VAL A 92 -7.377 -0.623 -0.047 1.00 0.00 N ATOM 1445 CA VAL A 92 -7.587 0.436 0.934 1.00 0.00 C ATOM 1446 C VAL A 92 -9.033 0.918 0.921 1.00 0.00 C ATOM 1447 O VAL A 92 -9.715 0.840 -0.102 1.00 0.00 O ATOM 1448 CB VAL A 92 -6.655 1.634 0.675 1.00 0.00 C ATOM 1449 CG1 VAL A 92 -6.881 2.721 1.714 1.00 0.00 C ATOM 1450 CG2 VAL A 92 -5.201 1.186 0.667 1.00 0.00 C ATOM 0 H VAL A 92 -7.159 -0.291 -0.986 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.357 0.012 1.912 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.889 2.048 -0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.214 3.559 1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.915 3.061 1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.676 2.323 2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.556 2.045 0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.951 0.745 1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.053 0.446 -0.119 1.00 0.00 H new ATOM 1460 N ARG A 93 -9.495 1.418 2.062 1.00 0.00 N ATOM 1461 CA ARG A 93 -10.861 1.914 2.182 1.00 0.00 C ATOM 1462 C ARG A 93 -10.988 2.878 3.358 1.00 0.00 C ATOM 1463 O ARG A 93 -10.711 2.534 4.507 1.00 0.00 O ATOM 1464 CB ARG A 93 -11.835 0.747 2.357 1.00 0.00 C ATOM 1465 CG ARG A 93 -11.484 -0.171 3.516 1.00 0.00 C ATOM 1466 CD ARG A 93 -12.433 -1.357 3.595 1.00 0.00 C ATOM 1467 NE ARG A 93 -12.141 -2.361 2.576 1.00 0.00 N ATOM 1468 CZ ARG A 93 -12.917 -3.412 2.335 1.00 0.00 C ATOM 1469 NH1 ARG A 93 -14.028 -3.594 3.036 1.00 0.00 N ATOM 1470 NH2 ARG A 93 -12.584 -4.282 1.391 1.00 0.00 N ATOM 0 H ARG A 93 -8.943 1.491 2.917 1.00 0.00 H new ATOM 0 HA ARG A 93 -11.108 2.451 1.266 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.839 1.143 2.509 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -11.859 0.163 1.437 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -10.461 -0.529 3.401 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.522 0.390 4.450 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -12.363 -1.812 4.583 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -13.459 -1.009 3.477 1.00 0.00 H new ATOM 0 HE ARG A 93 -11.294 -2.249 2.018 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -14.288 -2.926 3.762 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -14.622 -4.402 2.849 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -11.731 -4.145 0.849 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -13.181 -5.088 1.207 1.00 0.00 H new ATOM 1484 N PRO A 94 -11.417 4.114 3.066 1.00 0.00 N ATOM 1485 CA PRO A 94 -11.591 5.153 4.085 1.00 0.00 C ATOM 1486 C PRO A 94 -12.763 4.861 5.017 1.00 0.00 C ATOM 1487 O PRO A 94 -13.918 4.853 4.593 1.00 0.00 O ATOM 1488 CB PRO A 94 -11.864 6.415 3.263 1.00 0.00 C ATOM 1489 CG PRO A 94 -12.434 5.915 1.980 1.00 0.00 C ATOM 1490 CD PRO A 94 -11.767 4.594 1.718 1.00 0.00 C ATOM 0 HA PRO A 94 -10.722 5.233 4.738 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.562 7.078 3.775 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.949 6.984 3.095 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.515 5.799 2.052 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -12.243 6.617 1.168 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.435 3.901 1.206 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -10.883 4.708 1.090 1.00 0.00 H new ATOM 1498 N TYR A 95 -12.457 4.623 6.287 1.00 0.00 N ATOM 1499 CA TYR A 95 -13.484 4.328 7.279 1.00 0.00 C ATOM 1500 C TYR A 95 -13.510 5.394 8.370 1.00 0.00 C ATOM 1501 O TYR A 95 -12.498 6.035 8.652 1.00 0.00 O ATOM 1502 CB TYR A 95 -13.243 2.952 7.901 1.00 0.00 C ATOM 1503 CG TYR A 95 -12.292 2.977 9.076 1.00 0.00 C ATOM 1504 CD1 TYR A 95 -12.751 3.246 10.360 1.00 0.00 C ATOM 1505 CD2 TYR A 95 -10.936 2.733 8.904 1.00 0.00 C ATOM 1506 CE1 TYR A 95 -11.887 3.271 11.437 1.00 0.00 C ATOM 1507 CE2 TYR A 95 -10.064 2.754 9.976 1.00 0.00 C ATOM 1508 CZ TYR A 95 -10.544 3.024 11.240 1.00 0.00 C ATOM 1509 OH TYR A 95 -9.679 3.048 12.310 1.00 0.00 O ATOM 0 H TYR A 95 -11.505 4.629 6.654 1.00 0.00 H new ATOM 0 HA TYR A 95 -14.450 4.327 6.774 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -14.197 2.537 8.225 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -12.847 2.282 7.138 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.802 3.439 10.518 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.556 2.523 7.915 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -12.261 3.483 12.428 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -9.012 2.560 9.824 1.00 0.00 H new ATOM 0 HH TYR A 95 -8.770 2.853 12.000 1.00 0.00 H new ATOM 1519 N PHE A 96 -14.676 5.578 8.980 1.00 0.00 N ATOM 1520 CA PHE A 96 -14.836 6.566 10.040 1.00 0.00 C ATOM 1521 C PHE A 96 -14.933 5.890 11.405 1.00 0.00 C ATOM 1522 O PHE A 96 -14.000 5.947 12.205 1.00 0.00 O ATOM 1523 CB PHE A 96 -16.084 7.416 9.791 1.00 0.00 C ATOM 1524 CG PHE A 96 -16.288 8.497 10.813 1.00 0.00 C ATOM 1525 CD1 PHE A 96 -15.345 9.499 10.978 1.00 0.00 C ATOM 1526 CD2 PHE A 96 -17.422 8.512 11.609 1.00 0.00 C ATOM 1527 CE1 PHE A 96 -15.529 10.496 11.918 1.00 0.00 C ATOM 1528 CE2 PHE A 96 -17.612 9.506 12.550 1.00 0.00 C ATOM 1529 CZ PHE A 96 -16.664 10.499 12.705 1.00 0.00 C ATOM 0 H PHE A 96 -15.524 5.056 8.758 1.00 0.00 H new ATOM 0 HA PHE A 96 -13.958 7.211 10.035 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.013 7.870 8.803 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.960 6.767 9.781 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.456 9.501 10.365 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -18.166 7.738 11.493 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.786 11.271 12.037 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -18.501 9.507 13.164 1.00 0.00 H new ATOM 0 HZ PHE A 96 -16.810 11.276 13.440 1.00 0.00 H new ATOM 1539 N ASN A 97 -16.069 5.250 11.662 1.00 0.00 N ATOM 1540 CA ASN A 97 -16.288 4.563 12.930 1.00 0.00 C ATOM 1541 C ASN A 97 -16.406 3.056 12.719 1.00 0.00 C ATOM 1542 O ASN A 97 -15.599 2.283 13.232 1.00 0.00 O ATOM 1543 CB ASN A 97 -17.552 5.094 13.609 1.00 0.00 C ATOM 1544 CG ASN A 97 -17.278 6.318 14.463 1.00 0.00 C ATOM 1545 OD1 ASN A 97 -16.271 7.002 14.281 1.00 0.00 O ATOM 1546 ND2 ASN A 97 -18.176 6.598 15.400 1.00 0.00 N ATOM 0 H ASN A 97 -16.851 5.193 11.010 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.429 4.756 13.573 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -18.293 5.343 12.849 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.984 4.310 14.231 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -18.046 7.409 16.005 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -18.996 6.002 15.515 1.00 0.00 H new ATOM 1553 N GLU A 98 -17.418 2.648 11.959 1.00 0.00 N ATOM 1554 CA GLU A 98 -17.641 1.234 11.680 1.00 0.00 C ATOM 1555 C GLU A 98 -17.719 0.981 10.177 1.00 0.00 C ATOM 1556 O GLU A 98 -17.101 0.051 9.660 1.00 0.00 O ATOM 1557 CB GLU A 98 -18.928 0.755 12.356 1.00 0.00 C ATOM 1558 CG GLU A 98 -20.153 1.570 11.979 1.00 0.00 C ATOM 1559 CD GLU A 98 -20.892 0.995 10.786 1.00 0.00 C ATOM 1560 OE1 GLU A 98 -20.483 -0.079 10.296 1.00 0.00 O ATOM 1561 OE2 GLU A 98 -21.878 1.619 10.342 1.00 0.00 O ATOM 0 H GLU A 98 -18.095 3.276 11.526 1.00 0.00 H new ATOM 0 HA GLU A 98 -16.797 0.673 12.082 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -19.101 -0.288 12.092 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -18.796 0.792 13.437 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -20.830 1.618 12.832 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -19.850 2.593 11.755 1.00 0.00 H new ATOM 1568 N PHE A 99 -18.483 1.817 9.482 1.00 0.00 N ATOM 1569 CA PHE A 99 -18.644 1.684 8.038 1.00 0.00 C ATOM 1570 C PHE A 99 -17.313 1.887 7.322 1.00 0.00 C ATOM 1571 O PHE A 99 -16.350 2.382 7.908 1.00 0.00 O ATOM 1572 CB PHE A 99 -19.673 2.693 7.523 1.00 0.00 C ATOM 1573 CG PHE A 99 -19.584 4.034 8.193 1.00 0.00 C ATOM 1574 CD1 PHE A 99 -20.278 4.286 9.365 1.00 0.00 C ATOM 1575 CD2 PHE A 99 -18.806 5.044 7.649 1.00 0.00 C ATOM 1576 CE1 PHE A 99 -20.198 5.519 9.984 1.00 0.00 C ATOM 1577 CE2 PHE A 99 -18.722 6.279 8.264 1.00 0.00 C ATOM 1578 CZ PHE A 99 -19.419 6.517 9.432 1.00 0.00 C ATOM 0 H PHE A 99 -19.000 2.593 9.895 1.00 0.00 H new ATOM 0 HA PHE A 99 -18.999 0.675 7.828 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -19.537 2.822 6.449 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -20.674 2.287 7.671 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -20.889 3.509 9.800 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -18.260 4.864 6.735 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -20.744 5.702 10.898 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -18.111 7.058 7.831 1.00 0.00 H new ATOM 0 HZ PHE A 99 -19.355 7.482 9.913 1.00 0.00 H new ATOM 1588 N GLN A 100 -17.266 1.501 6.051 1.00 0.00 N ATOM 1589 CA GLN A 100 -16.053 1.640 5.255 1.00 0.00 C ATOM 1590 C GLN A 100 -16.370 2.195 3.870 1.00 0.00 C ATOM 1591 O GLN A 100 -17.351 1.799 3.241 1.00 0.00 O ATOM 1592 CB GLN A 100 -15.345 0.290 5.125 1.00 0.00 C ATOM 1593 CG GLN A 100 -16.224 -0.805 4.543 1.00 0.00 C ATOM 1594 CD GLN A 100 -17.256 -1.313 5.530 1.00 0.00 C ATOM 1595 OE1 GLN A 100 -16.930 -2.041 6.468 1.00 0.00 O ATOM 1596 NE2 GLN A 100 -18.511 -0.930 5.325 1.00 0.00 N ATOM 0 H GLN A 100 -18.054 1.090 5.551 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.393 2.342 5.766 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -14.464 0.411 4.495 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -14.993 -0.022 6.108 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -16.731 -0.425 3.656 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -15.597 -1.636 4.220 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -18.737 -0.326 4.535 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -19.249 -1.240 5.958 1.00 0.00 H new ATOM 1605 N GLY A 101 -15.534 3.116 3.401 1.00 0.00 N ATOM 1606 CA GLY A 101 -15.743 3.711 2.094 1.00 0.00 C ATOM 1607 C GLY A 101 -15.505 2.729 0.964 1.00 0.00 C ATOM 1608 O GLY A 101 -15.011 1.624 1.188 1.00 0.00 O ATOM 0 H GLY A 101 -14.716 3.461 3.903 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -16.762 4.092 2.031 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -15.075 4.564 1.976 1.00 0.00 H new ATOM 1612 N MET A 102 -15.859 3.130 -0.252 1.00 0.00 N ATOM 1613 CA MET A 102 -15.681 2.276 -1.421 1.00 0.00 C ATOM 1614 C MET A 102 -14.261 1.720 -1.476 1.00 0.00 C ATOM 1615 O MET A 102 -13.292 2.474 -1.556 1.00 0.00 O ATOM 1616 CB MET A 102 -15.985 3.057 -2.701 1.00 0.00 C ATOM 1617 CG MET A 102 -15.011 4.193 -2.966 1.00 0.00 C ATOM 1618 SD MET A 102 -15.551 5.272 -4.306 1.00 0.00 S ATOM 1619 CE MET A 102 -15.321 4.198 -5.720 1.00 0.00 C ATOM 0 H MET A 102 -16.271 4.041 -0.454 1.00 0.00 H new ATOM 0 HA MET A 102 -16.377 1.441 -1.340 1.00 0.00 H new ATOM 0 HB2 MET A 102 -15.969 2.371 -3.548 1.00 0.00 H new ATOM 0 HB3 MET A 102 -16.995 3.462 -2.638 1.00 0.00 H new ATOM 0 HG2 MET A 102 -14.890 4.782 -2.057 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.033 3.778 -3.210 1.00 0.00 H new ATOM 0 HE1 MET A 102 -15.493 4.762 -6.637 1.00 0.00 H new ATOM 0 HE2 MET A 102 -14.303 3.809 -5.719 1.00 0.00 H new ATOM 0 HE3 MET A 102 -16.027 3.369 -5.666 1.00 0.00 H new ATOM 1629 N ASP A 103 -14.147 0.397 -1.433 1.00 0.00 N ATOM 1630 CA ASP A 103 -12.846 -0.260 -1.479 1.00 0.00 C ATOM 1631 C ASP A 103 -12.078 0.142 -2.734 1.00 0.00 C ATOM 1632 O ASP A 103 -12.659 0.285 -3.810 1.00 0.00 O ATOM 1633 CB ASP A 103 -13.016 -1.779 -1.435 1.00 0.00 C ATOM 1634 CG ASP A 103 -14.115 -2.265 -2.359 1.00 0.00 C ATOM 1635 OD1 ASP A 103 -14.317 -1.640 -3.422 1.00 0.00 O ATOM 1636 OD2 ASP A 103 -14.772 -3.272 -2.021 1.00 0.00 O ATOM 0 H ASP A 103 -14.940 -0.241 -1.366 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.275 0.059 -0.607 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -12.075 -2.255 -1.712 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -13.241 -2.087 -0.414 1.00 0.00 H new ATOM 1641 N SER A 104 -10.770 0.325 -2.588 1.00 0.00 N ATOM 1642 CA SER A 104 -9.923 0.716 -3.710 1.00 0.00 C ATOM 1643 C SER A 104 -9.648 -0.474 -4.623 1.00 0.00 C ATOM 1644 O SER A 104 -9.999 -1.609 -4.303 1.00 0.00 O ATOM 1645 CB SER A 104 -8.604 1.299 -3.200 1.00 0.00 C ATOM 1646 OG SER A 104 -8.020 2.159 -4.164 1.00 0.00 O ATOM 0 H SER A 104 -10.273 0.209 -1.705 1.00 0.00 H new ATOM 0 HA SER A 104 -10.450 1.477 -4.285 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.779 1.849 -2.276 1.00 0.00 H new ATOM 0 HB3 SER A 104 -7.913 0.490 -2.963 1.00 0.00 H new ATOM 0 HG SER A 104 -8.725 2.660 -4.625 1.00 0.00 H new ATOM 1652 N GLU A 105 -9.016 -0.205 -5.761 1.00 0.00 N ATOM 1653 CA GLU A 105 -8.694 -1.254 -6.722 1.00 0.00 C ATOM 1654 C GLU A 105 -7.836 -2.339 -6.076 1.00 0.00 C ATOM 1655 O GLU A 105 -6.655 -2.129 -5.799 1.00 0.00 O ATOM 1656 CB GLU A 105 -7.963 -0.663 -7.929 1.00 0.00 C ATOM 1657 CG GLU A 105 -8.746 0.428 -8.640 1.00 0.00 C ATOM 1658 CD GLU A 105 -8.224 0.705 -10.037 1.00 0.00 C ATOM 1659 OE1 GLU A 105 -8.046 -0.261 -10.807 1.00 0.00 O ATOM 1660 OE2 GLU A 105 -7.994 1.890 -10.359 1.00 0.00 O ATOM 0 H GLU A 105 -8.717 0.729 -6.040 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.629 -1.704 -7.056 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.006 -0.257 -7.601 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.744 -1.462 -8.637 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.795 0.137 -8.699 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.702 1.344 -8.051 1.00 0.00 H new ATOM 1667 N SER A 106 -8.441 -3.498 -5.837 1.00 0.00 N ATOM 1668 CA SER A 106 -7.735 -4.615 -5.220 1.00 0.00 C ATOM 1669 C SER A 106 -6.528 -5.025 -6.058 1.00 0.00 C ATOM 1670 O SER A 106 -6.672 -5.587 -7.143 1.00 0.00 O ATOM 1671 CB SER A 106 -8.678 -5.807 -5.045 1.00 0.00 C ATOM 1672 OG SER A 106 -9.215 -6.219 -6.290 1.00 0.00 O ATOM 0 H SER A 106 -9.418 -3.688 -6.061 1.00 0.00 H new ATOM 0 HA SER A 106 -7.382 -4.293 -4.240 1.00 0.00 H new ATOM 0 HB2 SER A 106 -8.140 -6.636 -4.585 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.488 -5.538 -4.367 1.00 0.00 H new ATOM 0 HG SER A 106 -8.539 -6.107 -6.991 1.00 0.00 H new ATOM 1678 N LYS A 107 -5.336 -4.739 -5.545 1.00 0.00 N ATOM 1679 CA LYS A 107 -4.101 -5.078 -6.243 1.00 0.00 C ATOM 1680 C LYS A 107 -3.441 -6.303 -5.618 1.00 0.00 C ATOM 1681 O LYS A 107 -3.248 -6.365 -4.403 1.00 0.00 O ATOM 1682 CB LYS A 107 -3.133 -3.893 -6.215 1.00 0.00 C ATOM 1683 CG LYS A 107 -3.635 -2.680 -6.979 1.00 0.00 C ATOM 1684 CD LYS A 107 -3.195 -2.716 -8.433 1.00 0.00 C ATOM 1685 CE LYS A 107 -3.103 -1.316 -9.022 1.00 0.00 C ATOM 1686 NZ LYS A 107 -2.274 -1.289 -10.259 1.00 0.00 N ATOM 0 H LYS A 107 -5.199 -4.273 -4.648 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.350 -5.311 -7.278 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.949 -3.609 -5.179 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.177 -4.206 -6.634 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -4.723 -2.641 -6.928 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -3.261 -1.771 -6.507 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.225 -3.208 -8.509 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -3.901 -3.310 -9.013 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -4.105 -0.950 -9.248 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.675 -0.638 -8.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -1.953 -0.317 -10.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.448 -1.910 -10.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.841 -1.622 -11.064 1.00 0.00 H new ATOM 1700 N THR A 108 -3.095 -7.275 -6.455 1.00 0.00 N ATOM 1701 CA THR A 108 -2.455 -8.498 -5.984 1.00 0.00 C ATOM 1702 C THR A 108 -0.937 -8.379 -6.035 1.00 0.00 C ATOM 1703 O THR A 108 -0.373 -7.913 -7.026 1.00 0.00 O ATOM 1704 CB THR A 108 -2.892 -9.717 -6.818 1.00 0.00 C ATOM 1705 OG1 THR A 108 -3.104 -9.328 -8.180 1.00 0.00 O ATOM 1706 CG2 THR A 108 -4.165 -10.330 -6.256 1.00 0.00 C ATOM 0 H THR A 108 -3.247 -7.240 -7.463 1.00 0.00 H new ATOM 0 HA THR A 108 -2.770 -8.642 -4.951 1.00 0.00 H new ATOM 0 HB THR A 108 -2.099 -10.463 -6.773 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.380 -10.109 -8.704 1.00 0.00 H new ATOM 0 HG21 THR A 108 -4.453 -11.189 -6.862 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.991 -10.652 -5.229 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.964 -9.589 -6.273 1.00 0.00 H new ATOM 1714 N VAL A 109 -0.278 -8.803 -4.961 1.00 0.00 N ATOM 1715 CA VAL A 109 1.177 -8.745 -4.884 1.00 0.00 C ATOM 1716 C VAL A 109 1.777 -10.142 -4.769 1.00 0.00 C ATOM 1717 O VAL A 109 1.444 -10.899 -3.856 1.00 0.00 O ATOM 1718 CB VAL A 109 1.642 -7.898 -3.685 1.00 0.00 C ATOM 1719 CG1 VAL A 109 1.112 -8.479 -2.383 1.00 0.00 C ATOM 1720 CG2 VAL A 109 3.160 -7.804 -3.657 1.00 0.00 C ATOM 0 H VAL A 109 -0.729 -9.190 -4.132 1.00 0.00 H new ATOM 0 HA VAL A 109 1.525 -8.278 -5.806 1.00 0.00 H new ATOM 0 HB VAL A 109 1.240 -6.891 -3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.451 -7.867 -1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.022 -8.490 -2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.482 -9.497 -2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 109 3.472 -7.202 -2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.585 -8.804 -3.570 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.513 -7.339 -4.577 1.00 0.00 H new ATOM 1730 N ARG A 110 2.663 -10.478 -5.700 1.00 0.00 N ATOM 1731 CA ARG A 110 3.310 -11.785 -5.704 1.00 0.00 C ATOM 1732 C ARG A 110 4.646 -11.733 -4.969 1.00 0.00 C ATOM 1733 O ARG A 110 5.636 -11.219 -5.492 1.00 0.00 O ATOM 1734 CB ARG A 110 3.524 -12.267 -7.140 1.00 0.00 C ATOM 1735 CG ARG A 110 3.525 -13.781 -7.280 1.00 0.00 C ATOM 1736 CD ARG A 110 3.820 -14.208 -8.709 1.00 0.00 C ATOM 1737 NE ARG A 110 2.711 -13.907 -9.611 1.00 0.00 N ATOM 1738 CZ ARG A 110 2.835 -13.836 -10.931 1.00 0.00 C ATOM 1739 NH1 ARG A 110 4.014 -14.045 -11.501 1.00 0.00 N ATOM 1740 NH2 ARG A 110 1.779 -13.557 -11.685 1.00 0.00 N ATOM 0 H ARG A 110 2.950 -9.863 -6.462 1.00 0.00 H new ATOM 0 HA ARG A 110 2.657 -12.487 -5.186 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.740 -11.852 -7.774 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.472 -11.876 -7.508 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.271 -14.209 -6.610 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.557 -14.176 -6.973 1.00 0.00 H new ATOM 0 HD2 ARG A 110 4.720 -13.703 -9.060 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.026 -15.278 -8.732 1.00 0.00 H new ATOM 0 HE ARG A 110 1.790 -13.742 -9.204 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.828 -14.261 -10.925 1.00 0.00 H new ATOM 0 HH12 ARG A 110 4.107 -13.990 -12.515 1.00 0.00 H new ATOM 0 HH21 ARG A 110 0.870 -13.397 -11.251 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.876 -13.503 -12.699 1.00 0.00 H new ATOM 1754 N THR A 111 4.667 -12.267 -3.751 1.00 0.00 N ATOM 1755 CA THR A 111 5.880 -12.280 -2.943 1.00 0.00 C ATOM 1756 C THR A 111 6.846 -13.358 -3.420 1.00 0.00 C ATOM 1757 O THR A 111 6.620 -14.549 -3.203 1.00 0.00 O ATOM 1758 CB THR A 111 5.560 -12.514 -1.455 1.00 0.00 C ATOM 1759 OG1 THR A 111 5.063 -13.843 -1.263 1.00 0.00 O ATOM 1760 CG2 THR A 111 4.535 -11.507 -0.956 1.00 0.00 C ATOM 0 H THR A 111 3.857 -12.696 -3.303 1.00 0.00 H new ATOM 0 HA THR A 111 6.347 -11.302 -3.057 1.00 0.00 H new ATOM 0 HB THR A 111 6.480 -12.385 -0.885 1.00 0.00 H new ATOM 0 HG1 THR A 111 4.999 -14.033 -0.304 1.00 0.00 H new ATOM 0 HG21 THR A 111 4.325 -11.693 0.097 1.00 0.00 H new ATOM 0 HG22 THR A 111 4.929 -10.498 -1.075 1.00 0.00 H new ATOM 0 HG23 THR A 111 3.615 -11.608 -1.532 1.00 0.00 H new ATOM 1768 N THR A 112 7.926 -12.934 -4.069 1.00 0.00 N ATOM 1769 CA THR A 112 8.927 -13.863 -4.577 1.00 0.00 C ATOM 1770 C THR A 112 9.315 -14.887 -3.516 1.00 0.00 C ATOM 1771 O THR A 112 9.008 -14.718 -2.336 1.00 0.00 O ATOM 1772 CB THR A 112 10.194 -13.123 -5.047 1.00 0.00 C ATOM 1773 OG1 THR A 112 11.097 -14.044 -5.667 1.00 0.00 O ATOM 1774 CG2 THR A 112 10.884 -12.436 -3.878 1.00 0.00 C ATOM 0 H THR A 112 8.130 -11.952 -4.255 1.00 0.00 H new ATOM 0 HA THR A 112 8.479 -14.376 -5.428 1.00 0.00 H new ATOM 0 HB THR A 112 9.898 -12.363 -5.770 1.00 0.00 H new ATOM 0 HG1 THR A 112 11.899 -13.566 -5.965 1.00 0.00 H new ATOM 0 HG21 THR A 112 11.776 -11.920 -4.234 1.00 0.00 H new ATOM 0 HG22 THR A 112 10.203 -11.714 -3.427 1.00 0.00 H new ATOM 0 HG23 THR A 112 11.168 -13.181 -3.135 1.00 0.00 H new ATOM 1782 N GLU A 113 9.991 -15.949 -3.943 1.00 0.00 N ATOM 1783 CA GLU A 113 10.420 -17.000 -3.028 1.00 0.00 C ATOM 1784 C GLU A 113 11.919 -17.254 -3.156 1.00 0.00 C ATOM 1785 O GLU A 113 12.569 -17.687 -2.205 1.00 0.00 O ATOM 1786 CB GLU A 113 9.647 -18.292 -3.302 1.00 0.00 C ATOM 1787 CG GLU A 113 9.758 -18.774 -4.738 1.00 0.00 C ATOM 1788 CD GLU A 113 9.383 -20.235 -4.893 1.00 0.00 C ATOM 1789 OE1 GLU A 113 8.188 -20.520 -5.121 1.00 0.00 O ATOM 1790 OE2 GLU A 113 10.283 -21.094 -4.787 1.00 0.00 O ATOM 0 H GLU A 113 10.253 -16.104 -4.916 1.00 0.00 H new ATOM 0 HA GLU A 113 10.211 -16.669 -2.011 1.00 0.00 H new ATOM 0 HB2 GLU A 113 10.014 -19.073 -2.636 1.00 0.00 H new ATOM 0 HB3 GLU A 113 8.596 -18.135 -3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.111 -18.167 -5.372 1.00 0.00 H new ATOM 0 HG3 GLU A 113 10.779 -18.625 -5.089 1.00 0.00 H new ATOM 1797 N GLU A 114 12.461 -16.982 -4.340 1.00 0.00 N ATOM 1798 CA GLU A 114 13.883 -17.183 -4.593 1.00 0.00 C ATOM 1799 C GLU A 114 14.699 -15.998 -4.082 1.00 0.00 C ATOM 1800 O GLU A 114 14.246 -14.854 -4.126 1.00 0.00 O ATOM 1801 CB GLU A 114 14.134 -17.382 -6.089 1.00 0.00 C ATOM 1802 CG GLU A 114 15.606 -17.484 -6.450 1.00 0.00 C ATOM 1803 CD GLU A 114 15.860 -17.271 -7.930 1.00 0.00 C ATOM 1804 OE1 GLU A 114 15.936 -16.099 -8.355 1.00 0.00 O ATOM 1805 OE2 GLU A 114 15.983 -18.275 -8.662 1.00 0.00 O ATOM 0 H GLU A 114 11.937 -16.622 -5.138 1.00 0.00 H new ATOM 0 HA GLU A 114 14.199 -18.078 -4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 114 13.624 -18.288 -6.417 1.00 0.00 H new ATOM 0 HB3 GLU A 114 13.691 -16.551 -6.637 1.00 0.00 H new ATOM 0 HG2 GLU A 114 16.168 -16.745 -5.879 1.00 0.00 H new ATOM 0 HG3 GLU A 114 15.981 -18.465 -6.158 1.00 0.00 H new ATOM 1812 N SER A 115 15.903 -16.282 -3.598 1.00 0.00 N ATOM 1813 CA SER A 115 16.781 -15.242 -3.074 1.00 0.00 C ATOM 1814 C SER A 115 17.263 -14.324 -4.194 1.00 0.00 C ATOM 1815 O SER A 115 18.166 -14.673 -4.953 1.00 0.00 O ATOM 1816 CB SER A 115 17.981 -15.869 -2.362 1.00 0.00 C ATOM 1817 OG SER A 115 17.589 -16.484 -1.147 1.00 0.00 O ATOM 0 H SER A 115 16.293 -17.223 -3.558 1.00 0.00 H new ATOM 0 HA SER A 115 16.213 -14.647 -2.358 1.00 0.00 H new ATOM 0 HB2 SER A 115 18.449 -16.608 -3.013 1.00 0.00 H new ATOM 0 HB3 SER A 115 18.729 -15.103 -2.160 1.00 0.00 H new ATOM 0 HG SER A 115 18.374 -16.879 -0.712 1.00 0.00 H new ATOM 1823 N GLY A 116 16.652 -13.147 -4.289 1.00 0.00 N ATOM 1824 CA GLY A 116 17.031 -12.196 -5.317 1.00 0.00 C ATOM 1825 C GLY A 116 17.027 -10.766 -4.815 1.00 0.00 C ATOM 1826 O GLY A 116 16.007 -10.077 -4.846 1.00 0.00 O ATOM 0 H GLY A 116 15.902 -12.835 -3.672 1.00 0.00 H new ATOM 0 HA2 GLY A 116 18.025 -12.444 -5.688 1.00 0.00 H new ATOM 0 HA3 GLY A 116 16.345 -12.284 -6.159 1.00 0.00 H new ATOM 1830 N PRO A 117 18.191 -10.300 -4.337 1.00 0.00 N ATOM 1831 CA PRO A 117 18.343 -8.938 -3.814 1.00 0.00 C ATOM 1832 C PRO A 117 18.259 -7.883 -4.912 1.00 0.00 C ATOM 1833 O PRO A 117 18.451 -8.184 -6.091 1.00 0.00 O ATOM 1834 CB PRO A 117 19.741 -8.952 -3.192 1.00 0.00 C ATOM 1835 CG PRO A 117 20.473 -10.021 -3.927 1.00 0.00 C ATOM 1836 CD PRO A 117 19.447 -11.065 -4.269 1.00 0.00 C ATOM 0 HA PRO A 117 17.551 -8.680 -3.111 1.00 0.00 H new ATOM 0 HB2 PRO A 117 20.234 -7.986 -3.304 1.00 0.00 H new ATOM 0 HB3 PRO A 117 19.697 -9.165 -2.124 1.00 0.00 H new ATOM 0 HG2 PRO A 117 20.942 -9.625 -4.828 1.00 0.00 H new ATOM 0 HG3 PRO A 117 21.269 -10.442 -3.313 1.00 0.00 H new ATOM 0 HD2 PRO A 117 19.672 -11.554 -5.217 1.00 0.00 H new ATOM 0 HD3 PRO A 117 19.401 -11.847 -3.511 1.00 0.00 H new ATOM 1844 N SER A 118 17.972 -6.647 -4.518 1.00 0.00 N ATOM 1845 CA SER A 118 17.860 -5.548 -5.470 1.00 0.00 C ATOM 1846 C SER A 118 18.203 -4.218 -4.806 1.00 0.00 C ATOM 1847 O SER A 118 18.228 -4.111 -3.580 1.00 0.00 O ATOM 1848 CB SER A 118 16.446 -5.491 -6.051 1.00 0.00 C ATOM 1849 OG SER A 118 16.420 -4.750 -7.258 1.00 0.00 O ATOM 0 H SER A 118 17.813 -6.381 -3.546 1.00 0.00 H new ATOM 0 HA SER A 118 18.570 -5.725 -6.278 1.00 0.00 H new ATOM 0 HB2 SER A 118 16.084 -6.503 -6.234 1.00 0.00 H new ATOM 0 HB3 SER A 118 15.770 -5.036 -5.327 1.00 0.00 H new ATOM 0 HG SER A 118 15.506 -4.730 -7.610 1.00 0.00 H new ATOM 1855 N SER A 119 18.467 -3.205 -5.626 1.00 0.00 N ATOM 1856 CA SER A 119 18.813 -1.882 -5.121 1.00 0.00 C ATOM 1857 C SER A 119 17.611 -1.228 -4.445 1.00 0.00 C ATOM 1858 O SER A 119 16.464 -1.495 -4.800 1.00 0.00 O ATOM 1859 CB SER A 119 19.318 -0.994 -6.259 1.00 0.00 C ATOM 1860 OG SER A 119 18.267 -0.656 -7.147 1.00 0.00 O ATOM 0 H SER A 119 18.448 -3.276 -6.643 1.00 0.00 H new ATOM 0 HA SER A 119 19.606 -1.998 -4.382 1.00 0.00 H new ATOM 0 HB2 SER A 119 19.757 -0.085 -5.848 1.00 0.00 H new ATOM 0 HB3 SER A 119 20.107 -1.511 -6.805 1.00 0.00 H new ATOM 0 HG SER A 119 18.615 -0.087 -7.865 1.00 0.00 H new ATOM 1866 N GLY A 120 17.885 -0.369 -3.467 1.00 0.00 N ATOM 1867 CA GLY A 120 16.818 0.310 -2.756 1.00 0.00 C ATOM 1868 C GLY A 120 16.396 -0.427 -1.501 1.00 0.00 C ATOM 1869 O GLY A 120 16.966 -1.465 -1.162 1.00 0.00 O ATOM 0 H GLY A 120 18.827 -0.132 -3.155 1.00 0.00 H new ATOM 0 HA2 GLY A 120 17.145 1.315 -2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 120 15.958 0.419 -3.416 1.00 0.00 H new TER 1873 GLY A 120