USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=32 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= -0.0219 X(o=-0.022,f=-0.022) USER MOD Set 2.1: A 62 SER OG : rot 180:sc= -0.113 USER MOD Set 2.2: A 63 SER OG : rot 34:sc= 0.447 USER MOD Set 3.1: A 55 THR OG1 : rot -67:sc= 0.427 USER MOD Set 3.2: A 56 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 54 GLN : amide:sc= -1.51! C(o=-1.2!,f=-6.6!) USER MOD Set 4.2: A 88 TYR OH : rot -127:sc= 0.285 USER MOD Set 5.1: A 51 MET CE :methyl 175:sc= -1.26 (180deg=-1.47) USER MOD Set 5.2: A 91 LYS NZ :NH3+ 180:sc= -0.0124 (180deg=0) USER MOD Set 6.1: A 33 GLN : amide:sc= -2.68! C(o=-2.7!,f=-4.2!) USER MOD Set 6.2: A 35 THR OG1 : rot 7:sc= -0.0634 USER MOD Set 7.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 7.2: A 31 THR OG1 : rot 170:sc= -0.604 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 24:sc= 1.12 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 USER MOD Single : A 9 GLN : amide:sc= -1.47! C(o=-1.5!,f=-4.4!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HD1:sc= -0.842 X(o=-0.84,f=-0.74) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= 0.11 X(o=0.11,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.0017) USER MOD Single : A 61 THR OG1 : rot -48:sc= 0.623 USER MOD Single : A 66 ASN : amide:sc= -0.53 K(o=-0.53,f=0.6) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 69:sc= 0.503 USER MOD Single : A 76 SER OG : rot 46:sc= 0.593 USER MOD Single : A 81 ASN : amide:sc= -0.878 K(o=-0.88,f=-3!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -161:sc= -0.0263 (180deg=-0.52) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot -64:sc= 0.0021 USER MOD Single : A 97 ASN : amide:sc= -0.202 K(o=-0.2,f=-0.86!) USER MOD Single : A 100 GLN : amide:sc= -3.61! C(o=-3.6!,f=-5!) USER MOD Single : A 102 MET CE :methyl -132:sc= -0.61 (180deg=-1.42) USER MOD Single : A 104 SER OG : rot 84:sc= -0.27 USER MOD Single : A 106 SER OG : rot 26:sc= 0.182 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 42:sc= 0.0542 USER MOD Single : A 111 THR OG1 : rot 163:sc= 1.14 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.191 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 -25.521 21.693 14.876 1.00 0.00 N ATOM 2 CA GLY A 1 -25.519 20.922 16.105 1.00 0.00 C ATOM 3 C GLY A 1 -24.212 21.042 16.863 1.00 0.00 C ATOM 4 O GLY A 1 -23.950 22.058 17.506 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.436 21.578 14.395 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.370 22.698 15.096 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.758 21.357 14.254 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.337 21.258 16.742 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.706 19.874 15.873 1.00 0.00 H new ATOM 8 N SER A 2 -23.390 20.000 16.789 1.00 0.00 N ATOM 9 CA SER A 2 -22.105 19.990 17.478 1.00 0.00 C ATOM 10 C SER A 2 -21.244 21.171 17.040 1.00 0.00 C ATOM 11 O SER A 2 -20.628 21.143 15.975 1.00 0.00 O ATOM 12 CB SER A 2 -21.366 18.678 17.206 1.00 0.00 C ATOM 13 OG SER A 2 -21.011 18.567 15.839 1.00 0.00 O ATOM 0 H SER A 2 -23.591 19.152 16.259 1.00 0.00 H new ATOM 0 HA SER A 2 -22.294 20.077 18.548 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.469 18.627 17.823 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.997 17.836 17.491 1.00 0.00 H new ATOM 0 HG SER A 2 -20.960 19.461 15.441 1.00 0.00 H new ATOM 19 N SER A 3 -21.208 22.209 17.870 1.00 0.00 N ATOM 20 CA SER A 3 -20.427 23.402 17.568 1.00 0.00 C ATOM 21 C SER A 3 -19.049 23.028 17.029 1.00 0.00 C ATOM 22 O SER A 3 -18.261 22.374 17.710 1.00 0.00 O ATOM 23 CB SER A 3 -20.278 24.271 18.819 1.00 0.00 C ATOM 24 OG SER A 3 -21.498 24.917 19.138 1.00 0.00 O ATOM 0 H SER A 3 -21.711 22.247 18.757 1.00 0.00 H new ATOM 0 HA SER A 3 -20.957 23.968 16.802 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.959 23.654 19.659 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.499 25.016 18.657 1.00 0.00 H new ATOM 0 HG SER A 3 -21.378 25.465 19.942 1.00 0.00 H new ATOM 30 N GLY A 4 -18.767 23.449 15.799 1.00 0.00 N ATOM 31 CA GLY A 4 -17.486 23.149 15.188 1.00 0.00 C ATOM 32 C GLY A 4 -17.538 21.918 14.306 1.00 0.00 C ATOM 33 O GLY A 4 -18.557 21.644 13.671 1.00 0.00 O ATOM 0 H GLY A 4 -19.403 23.992 15.216 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.161 24.004 14.595 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.740 23.001 15.969 1.00 0.00 H new ATOM 37 N SER A 5 -16.437 21.174 14.264 1.00 0.00 N ATOM 38 CA SER A 5 -16.360 19.968 13.448 1.00 0.00 C ATOM 39 C SER A 5 -17.678 19.200 13.488 1.00 0.00 C ATOM 40 O SER A 5 -18.348 19.148 14.519 1.00 0.00 O ATOM 41 CB SER A 5 -15.219 19.071 13.932 1.00 0.00 C ATOM 42 OG SER A 5 -15.498 18.540 15.216 1.00 0.00 O ATOM 0 H SER A 5 -15.586 21.385 14.786 1.00 0.00 H new ATOM 0 HA SER A 5 -16.165 20.268 12.418 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.067 18.257 13.223 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.292 19.643 13.965 1.00 0.00 H new ATOM 0 HG SER A 5 -14.755 17.969 15.502 1.00 0.00 H new ATOM 48 N SER A 6 -18.043 18.604 12.357 1.00 0.00 N ATOM 49 CA SER A 6 -19.282 17.841 12.260 1.00 0.00 C ATOM 50 C SER A 6 -19.048 16.515 11.544 1.00 0.00 C ATOM 51 O SER A 6 -17.982 16.282 10.976 1.00 0.00 O ATOM 52 CB SER A 6 -20.348 18.652 11.521 1.00 0.00 C ATOM 53 OG SER A 6 -19.899 19.030 10.231 1.00 0.00 O ATOM 0 H SER A 6 -17.498 18.635 11.495 1.00 0.00 H new ATOM 0 HA SER A 6 -19.631 17.631 13.271 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.261 18.063 11.433 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.597 19.543 12.098 1.00 0.00 H new ATOM 0 HG SER A 6 -20.599 19.546 9.779 1.00 0.00 H new ATOM 59 N GLY A 7 -20.055 15.647 11.575 1.00 0.00 N ATOM 60 CA GLY A 7 -19.941 14.354 10.926 1.00 0.00 C ATOM 61 C GLY A 7 -21.164 14.010 10.100 1.00 0.00 C ATOM 62 O GLY A 7 -21.668 12.888 10.162 1.00 0.00 O ATOM 0 H GLY A 7 -20.948 15.816 12.038 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.060 14.350 10.284 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.789 13.584 11.682 1.00 0.00 H new ATOM 66 N ARG A 8 -21.645 14.977 9.325 1.00 0.00 N ATOM 67 CA ARG A 8 -22.819 14.772 8.485 1.00 0.00 C ATOM 68 C ARG A 8 -22.420 14.225 7.118 1.00 0.00 C ATOM 69 O ARG A 8 -22.982 13.237 6.646 1.00 0.00 O ATOM 70 CB ARG A 8 -23.588 16.083 8.318 1.00 0.00 C ATOM 71 CG ARG A 8 -24.552 16.374 9.456 1.00 0.00 C ATOM 72 CD ARG A 8 -25.917 15.753 9.202 1.00 0.00 C ATOM 73 NE ARG A 8 -26.776 15.820 10.381 1.00 0.00 N ATOM 74 CZ ARG A 8 -28.100 15.725 10.332 1.00 0.00 C ATOM 75 NH1 ARG A 8 -28.714 15.560 9.168 1.00 0.00 N ATOM 76 NH2 ARG A 8 -28.814 15.795 11.448 1.00 0.00 N ATOM 0 H ARG A 8 -21.239 15.911 9.262 1.00 0.00 H new ATOM 0 HA ARG A 8 -23.463 14.042 8.975 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -22.876 16.904 8.238 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -24.144 16.051 7.381 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -24.143 15.987 10.389 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -24.658 17.452 9.578 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -26.400 16.267 8.371 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -25.792 14.712 8.903 1.00 0.00 H new ATOM 0 HE ARG A 8 -26.335 15.947 11.292 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -28.169 15.506 8.307 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -29.731 15.487 9.134 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -28.346 15.922 12.346 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -29.831 15.722 11.408 1.00 0.00 H new ATOM 90 N GLN A 9 -21.447 14.875 6.487 1.00 0.00 N ATOM 91 CA GLN A 9 -20.974 14.454 5.174 1.00 0.00 C ATOM 92 C GLN A 9 -20.317 13.080 5.246 1.00 0.00 C ATOM 93 O GLN A 9 -19.961 12.496 4.222 1.00 0.00 O ATOM 94 CB GLN A 9 -19.985 15.477 4.613 1.00 0.00 C ATOM 95 CG GLN A 9 -18.829 15.784 5.552 1.00 0.00 C ATOM 96 CD GLN A 9 -19.138 16.922 6.505 1.00 0.00 C ATOM 97 OE1 GLN A 9 -20.174 17.578 6.391 1.00 0.00 O ATOM 98 NE2 GLN A 9 -18.239 17.162 7.452 1.00 0.00 N ATOM 0 H GLN A 9 -20.971 15.695 6.864 1.00 0.00 H new ATOM 0 HA GLN A 9 -21.835 14.389 4.509 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -19.587 15.105 3.669 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -20.518 16.402 4.392 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -18.585 14.890 6.126 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -17.946 16.036 4.965 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -17.394 16.593 7.509 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -18.393 17.915 8.122 1.00 0.00 H new ATOM 107 N VAL A 10 -20.158 12.569 6.463 1.00 0.00 N ATOM 108 CA VAL A 10 -19.544 11.262 6.669 1.00 0.00 C ATOM 109 C VAL A 10 -19.915 10.298 5.548 1.00 0.00 C ATOM 110 O VAL A 10 -19.065 9.567 5.039 1.00 0.00 O ATOM 111 CB VAL A 10 -19.966 10.650 8.018 1.00 0.00 C ATOM 112 CG1 VAL A 10 -21.425 10.221 7.976 1.00 0.00 C ATOM 113 CG2 VAL A 10 -19.066 9.477 8.375 1.00 0.00 C ATOM 0 H VAL A 10 -20.446 13.040 7.321 1.00 0.00 H new ATOM 0 HA VAL A 10 -18.465 11.416 6.670 1.00 0.00 H new ATOM 0 HB VAL A 10 -19.858 11.409 8.792 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -21.706 9.791 8.937 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -22.053 11.087 7.769 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -21.563 9.477 7.192 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -19.378 9.057 9.331 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -19.140 8.713 7.601 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -18.034 9.820 8.449 1.00 0.00 H new ATOM 123 N GLN A 11 -21.188 10.302 5.167 1.00 0.00 N ATOM 124 CA GLN A 11 -21.671 9.427 4.106 1.00 0.00 C ATOM 125 C GLN A 11 -21.760 10.177 2.781 1.00 0.00 C ATOM 126 O GLN A 11 -21.675 9.577 1.709 1.00 0.00 O ATOM 127 CB GLN A 11 -23.040 8.852 4.473 1.00 0.00 C ATOM 128 CG GLN A 11 -22.964 7.566 5.280 1.00 0.00 C ATOM 129 CD GLN A 11 -24.198 6.700 5.117 1.00 0.00 C ATOM 130 OE1 GLN A 11 -24.505 6.238 4.018 1.00 0.00 O ATOM 131 NE2 GLN A 11 -24.913 6.477 6.213 1.00 0.00 N ATOM 0 H GLN A 11 -21.904 10.902 5.577 1.00 0.00 H new ATOM 0 HA GLN A 11 -20.960 8.609 3.993 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -23.596 9.596 5.043 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -23.603 8.664 3.559 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -22.085 7.000 4.972 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -22.833 7.810 6.334 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -24.621 6.880 7.103 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -25.754 5.902 6.165 1.00 0.00 H new ATOM 140 N LYS A 12 -21.932 11.492 2.861 1.00 0.00 N ATOM 141 CA LYS A 12 -22.032 12.325 1.668 1.00 0.00 C ATOM 142 C LYS A 12 -20.652 12.599 1.079 1.00 0.00 C ATOM 143 O LYS A 12 -20.522 13.320 0.091 1.00 0.00 O ATOM 144 CB LYS A 12 -22.727 13.646 2.001 1.00 0.00 C ATOM 145 CG LYS A 12 -23.218 14.401 0.778 1.00 0.00 C ATOM 146 CD LYS A 12 -24.324 13.643 0.062 1.00 0.00 C ATOM 147 CE LYS A 12 -24.941 14.478 -1.050 1.00 0.00 C ATOM 148 NZ LYS A 12 -26.242 13.916 -1.508 1.00 0.00 N ATOM 0 H LYS A 12 -22.005 12.004 3.740 1.00 0.00 H new ATOM 0 HA LYS A 12 -22.624 11.787 0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -23.573 13.446 2.658 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -22.036 14.281 2.556 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -23.584 15.383 1.078 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -22.386 14.566 0.093 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -23.923 12.719 -0.355 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -25.096 13.361 0.778 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -25.090 15.499 -0.698 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -24.251 14.529 -1.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -26.630 14.513 -2.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -26.096 12.951 -1.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -26.909 13.891 -0.711 1.00 0.00 H new ATOM 162 N GLU A 13 -19.625 12.017 1.692 1.00 0.00 N ATOM 163 CA GLU A 13 -18.256 12.199 1.226 1.00 0.00 C ATOM 164 C GLU A 13 -17.518 10.865 1.171 1.00 0.00 C ATOM 165 O GLU A 13 -16.905 10.523 0.158 1.00 0.00 O ATOM 166 CB GLU A 13 -17.507 13.171 2.141 1.00 0.00 C ATOM 167 CG GLU A 13 -15.995 13.081 2.018 1.00 0.00 C ATOM 168 CD GLU A 13 -15.277 14.089 2.894 1.00 0.00 C ATOM 169 OE1 GLU A 13 -15.738 14.319 4.032 1.00 0.00 O ATOM 170 OE2 GLU A 13 -14.256 14.648 2.443 1.00 0.00 O ATOM 0 H GLU A 13 -19.716 11.416 2.511 1.00 0.00 H new ATOM 0 HA GLU A 13 -18.295 12.615 0.219 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.822 14.189 1.911 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.791 12.975 3.175 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.672 12.076 2.288 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.709 13.240 0.978 1.00 0.00 H new ATOM 177 N LEU A 14 -17.580 10.115 2.265 1.00 0.00 N ATOM 178 CA LEU A 14 -16.918 8.818 2.343 1.00 0.00 C ATOM 179 C LEU A 14 -16.913 8.127 0.983 1.00 0.00 C ATOM 180 O LEU A 14 -15.854 7.830 0.430 1.00 0.00 O ATOM 181 CB LEU A 14 -17.613 7.929 3.376 1.00 0.00 C ATOM 182 CG LEU A 14 -17.207 6.455 3.376 1.00 0.00 C ATOM 183 CD1 LEU A 14 -16.042 6.222 4.324 1.00 0.00 C ATOM 184 CD2 LEU A 14 -18.390 5.576 3.755 1.00 0.00 C ATOM 0 H LEU A 14 -18.082 10.383 3.111 1.00 0.00 H new ATOM 0 HA LEU A 14 -15.885 8.983 2.651 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.419 8.338 4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -18.689 7.989 3.212 1.00 0.00 H new ATOM 0 HG LEU A 14 -16.888 6.186 2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.767 5.167 4.310 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.190 6.823 4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.333 6.508 5.335 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -18.083 4.530 3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -18.740 5.846 4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -19.196 5.721 3.036 1.00 0.00 H new ATOM 196 N GLY A 15 -18.104 7.875 0.448 1.00 0.00 N ATOM 197 CA GLY A 15 -18.213 7.223 -0.844 1.00 0.00 C ATOM 198 C GLY A 15 -17.581 8.034 -1.958 1.00 0.00 C ATOM 199 O GLY A 15 -16.844 7.496 -2.785 1.00 0.00 O ATOM 0 H GLY A 15 -18.995 8.111 0.886 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -17.735 6.244 -0.795 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.265 7.053 -1.074 1.00 0.00 H new ATOM 203 N ASP A 16 -17.871 9.330 -1.982 1.00 0.00 N ATOM 204 CA ASP A 16 -17.326 10.216 -3.004 1.00 0.00 C ATOM 205 C ASP A 16 -15.822 10.009 -3.157 1.00 0.00 C ATOM 206 O ASP A 16 -15.326 9.778 -4.260 1.00 0.00 O ATOM 207 CB ASP A 16 -17.619 11.676 -2.652 1.00 0.00 C ATOM 208 CG ASP A 16 -19.086 12.025 -2.806 1.00 0.00 C ATOM 209 OD1 ASP A 16 -19.937 11.160 -2.508 1.00 0.00 O ATOM 210 OD2 ASP A 16 -19.384 13.164 -3.222 1.00 0.00 O ATOM 0 H ASP A 16 -18.480 9.790 -1.306 1.00 0.00 H new ATOM 0 HA ASP A 16 -17.806 9.975 -3.952 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -17.309 11.869 -1.625 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -17.024 12.328 -3.292 1.00 0.00 H new ATOM 215 N VAL A 17 -15.102 10.094 -2.043 1.00 0.00 N ATOM 216 CA VAL A 17 -13.655 9.916 -2.054 1.00 0.00 C ATOM 217 C VAL A 17 -13.245 8.804 -3.012 1.00 0.00 C ATOM 218 O VAL A 17 -13.771 7.692 -2.953 1.00 0.00 O ATOM 219 CB VAL A 17 -13.119 9.590 -0.647 1.00 0.00 C ATOM 220 CG1 VAL A 17 -11.619 9.345 -0.690 1.00 0.00 C ATOM 221 CG2 VAL A 17 -13.457 10.710 0.325 1.00 0.00 C ATOM 0 H VAL A 17 -15.497 10.285 -1.122 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.223 10.859 -2.390 1.00 0.00 H new ATOM 0 HB VAL A 17 -13.602 8.678 -0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -11.259 9.116 0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.406 8.506 -1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.115 10.237 -1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -13.071 10.463 1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -13.004 11.640 -0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -14.539 10.831 0.378 1.00 0.00 H new ATOM 231 N LEU A 18 -12.301 9.110 -3.896 1.00 0.00 N ATOM 232 CA LEU A 18 -11.819 8.136 -4.869 1.00 0.00 C ATOM 233 C LEU A 18 -10.390 7.708 -4.548 1.00 0.00 C ATOM 234 O LEU A 18 -9.429 8.291 -5.049 1.00 0.00 O ATOM 235 CB LEU A 18 -11.883 8.721 -6.281 1.00 0.00 C ATOM 236 CG LEU A 18 -11.768 7.718 -7.429 1.00 0.00 C ATOM 237 CD1 LEU A 18 -12.038 8.398 -8.762 1.00 0.00 C ATOM 238 CD2 LEU A 18 -10.394 7.064 -7.430 1.00 0.00 C ATOM 0 H LEU A 18 -11.854 10.025 -3.959 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.463 7.258 -4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.825 9.258 -6.388 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.084 9.455 -6.385 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.518 6.941 -7.283 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.952 7.668 -9.567 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.044 8.818 -8.759 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.312 9.196 -8.917 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.330 6.353 -8.254 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.627 7.829 -7.551 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.239 6.541 -6.486 1.00 0.00 H new ATOM 250 N VAL A 19 -10.259 6.684 -3.711 1.00 0.00 N ATOM 251 CA VAL A 19 -8.948 6.175 -3.326 1.00 0.00 C ATOM 252 C VAL A 19 -8.269 5.467 -4.492 1.00 0.00 C ATOM 253 O VAL A 19 -8.557 4.305 -4.779 1.00 0.00 O ATOM 254 CB VAL A 19 -9.051 5.200 -2.138 1.00 0.00 C ATOM 255 CG1 VAL A 19 -7.672 4.699 -1.737 1.00 0.00 C ATOM 256 CG2 VAL A 19 -9.748 5.867 -0.961 1.00 0.00 C ATOM 0 H VAL A 19 -11.044 6.191 -3.287 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.349 7.036 -3.029 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.648 4.341 -2.446 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.765 4.011 -0.896 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.214 4.182 -2.580 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.048 5.544 -1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.812 5.164 -0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.180 6.744 -0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.752 6.171 -1.257 1.00 0.00 H new ATOM 266 N ARG A 20 -7.365 6.175 -5.162 1.00 0.00 N ATOM 267 CA ARG A 20 -6.645 5.614 -6.299 1.00 0.00 C ATOM 268 C ARG A 20 -5.525 4.690 -5.831 1.00 0.00 C ATOM 269 O ARG A 20 -4.425 5.143 -5.509 1.00 0.00 O ATOM 270 CB ARG A 20 -6.068 6.734 -7.167 1.00 0.00 C ATOM 271 CG ARG A 20 -5.984 6.379 -8.642 1.00 0.00 C ATOM 272 CD ARG A 20 -4.751 5.543 -8.945 1.00 0.00 C ATOM 273 NE ARG A 20 -4.648 5.214 -10.364 1.00 0.00 N ATOM 274 CZ ARG A 20 -3.506 4.894 -10.964 1.00 0.00 C ATOM 275 NH1 ARG A 20 -2.377 4.861 -10.271 1.00 0.00 N ATOM 276 NH2 ARG A 20 -3.494 4.606 -12.259 1.00 0.00 N ATOM 0 H ARG A 20 -7.114 7.138 -4.937 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.350 5.031 -6.892 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.684 7.626 -7.051 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.071 6.986 -6.805 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.878 5.830 -8.937 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.960 7.292 -9.236 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.859 6.086 -8.633 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.784 4.623 -8.361 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.499 5.231 -10.926 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.383 5.081 -9.275 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.502 4.615 -10.733 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.362 4.630 -12.795 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.617 4.361 -12.719 1.00 0.00 H new ATOM 290 N LEU A 21 -5.811 3.393 -5.794 1.00 0.00 N ATOM 291 CA LEU A 21 -4.828 2.405 -5.365 1.00 0.00 C ATOM 292 C LEU A 21 -3.901 2.023 -6.515 1.00 0.00 C ATOM 293 O LEU A 21 -4.279 1.262 -7.405 1.00 0.00 O ATOM 294 CB LEU A 21 -5.532 1.157 -4.827 1.00 0.00 C ATOM 295 CG LEU A 21 -4.846 0.452 -3.656 1.00 0.00 C ATOM 296 CD1 LEU A 21 -5.569 -0.841 -3.315 1.00 0.00 C ATOM 297 CD2 LEU A 21 -3.385 0.179 -3.980 1.00 0.00 C ATOM 0 H LEU A 21 -6.716 3.001 -6.056 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.227 2.848 -4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.539 1.437 -4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.637 0.443 -5.644 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.888 1.108 -2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.067 -1.329 -2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.600 -0.620 -3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.559 -1.503 -4.181 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.913 -0.323 -3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.321 -0.457 -4.863 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.873 1.122 -4.174 1.00 0.00 H new ATOM 309 N HIS A 22 -2.683 2.556 -6.488 1.00 0.00 N ATOM 310 CA HIS A 22 -1.700 2.270 -7.527 1.00 0.00 C ATOM 311 C HIS A 22 -1.338 0.788 -7.538 1.00 0.00 C ATOM 312 O HIS A 22 -1.780 0.038 -8.408 1.00 0.00 O ATOM 313 CB HIS A 22 -0.442 3.112 -7.314 1.00 0.00 C ATOM 314 CG HIS A 22 -0.702 4.587 -7.315 1.00 0.00 C ATOM 315 ND1 HIS A 22 -0.154 5.448 -8.243 1.00 0.00 N ATOM 316 CD2 HIS A 22 -1.458 5.354 -6.494 1.00 0.00 C ATOM 317 CE1 HIS A 22 -0.561 6.679 -7.992 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.353 6.650 -6.936 1.00 0.00 N ATOM 0 H HIS A 22 -2.354 3.188 -5.758 1.00 0.00 H new ATOM 0 HA HIS A 22 -2.141 2.526 -8.490 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.016 2.833 -6.365 1.00 0.00 H new ATOM 0 HB3 HIS A 22 0.279 2.878 -8.097 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.036 5.010 -5.649 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.292 7.560 -8.555 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -1.812 7.459 -6.517 1.00 0.00 H new ATOM 327 N ASN A 23 -0.531 0.373 -6.567 1.00 0.00 N ATOM 328 CA ASN A 23 -0.109 -1.019 -6.466 1.00 0.00 C ATOM 329 C ASN A 23 0.725 -1.245 -5.208 1.00 0.00 C ATOM 330 O ASN A 23 1.505 -0.391 -4.789 1.00 0.00 O ATOM 331 CB ASN A 23 0.696 -1.420 -7.704 1.00 0.00 C ATOM 332 CG ASN A 23 2.084 -0.810 -7.713 1.00 0.00 C ATOM 333 OD1 ASN A 23 2.257 0.363 -8.046 1.00 0.00 O ATOM 334 ND2 ASN A 23 3.083 -1.606 -7.348 1.00 0.00 N ATOM 0 H ASN A 23 -0.156 0.981 -5.839 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.002 -1.640 -6.404 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.779 -2.506 -7.744 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.159 -1.108 -8.600 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.039 -1.251 -7.336 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.894 -2.572 -7.080 1.00 0.00 H new ATOM 341 N PRO A 24 0.557 -2.425 -4.592 1.00 0.00 N ATOM 342 CA PRO A 24 1.286 -2.792 -3.374 1.00 0.00 C ATOM 343 C PRO A 24 2.769 -3.028 -3.635 1.00 0.00 C ATOM 344 O PRO A 24 3.215 -4.170 -3.755 1.00 0.00 O ATOM 345 CB PRO A 24 0.607 -4.090 -2.932 1.00 0.00 C ATOM 346 CG PRO A 24 0.037 -4.665 -4.183 1.00 0.00 C ATOM 347 CD PRO A 24 -0.357 -3.491 -5.036 1.00 0.00 C ATOM 0 HA PRO A 24 1.252 -2.001 -2.625 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.321 -4.773 -2.472 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.172 -3.898 -2.194 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.769 -5.290 -4.694 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.825 -5.296 -3.965 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -0.237 -3.707 -6.098 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.400 -3.215 -4.883 1.00 0.00 H new ATOM 355 N VAL A 25 3.531 -1.942 -3.722 1.00 0.00 N ATOM 356 CA VAL A 25 4.965 -2.032 -3.968 1.00 0.00 C ATOM 357 C VAL A 25 5.623 -3.030 -3.022 1.00 0.00 C ATOM 358 O VAL A 25 5.793 -2.757 -1.834 1.00 0.00 O ATOM 359 CB VAL A 25 5.649 -0.661 -3.807 1.00 0.00 C ATOM 360 CG1 VAL A 25 7.147 -0.780 -4.042 1.00 0.00 C ATOM 361 CG2 VAL A 25 5.031 0.356 -4.755 1.00 0.00 C ATOM 0 H VAL A 25 3.179 -0.990 -3.626 1.00 0.00 H new ATOM 0 HA VAL A 25 5.089 -2.373 -4.996 1.00 0.00 H new ATOM 0 HB VAL A 25 5.493 -0.314 -2.786 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.613 0.198 -3.924 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.575 -1.475 -3.319 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.329 -1.149 -5.051 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.526 1.319 -4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.155 0.017 -5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.969 0.462 -4.533 1.00 0.00 H new ATOM 371 N VAL A 26 5.993 -4.189 -3.558 1.00 0.00 N ATOM 372 CA VAL A 26 6.635 -5.229 -2.762 1.00 0.00 C ATOM 373 C VAL A 26 8.103 -4.902 -2.512 1.00 0.00 C ATOM 374 O VAL A 26 8.929 -4.973 -3.423 1.00 0.00 O ATOM 375 CB VAL A 26 6.535 -6.603 -3.449 1.00 0.00 C ATOM 376 CG1 VAL A 26 6.841 -6.481 -4.934 1.00 0.00 C ATOM 377 CG2 VAL A 26 7.472 -7.600 -2.784 1.00 0.00 C ATOM 0 H VAL A 26 5.859 -4.431 -4.540 1.00 0.00 H new ATOM 0 HA VAL A 26 6.108 -5.269 -1.809 1.00 0.00 H new ATOM 0 HB VAL A 26 5.514 -6.970 -3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.765 -7.462 -5.403 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.127 -5.801 -5.398 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.851 -6.092 -5.067 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.388 -8.566 -3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.498 -7.241 -2.859 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.201 -7.709 -1.734 1.00 0.00 H new ATOM 387 N LEU A 27 8.421 -4.545 -1.273 1.00 0.00 N ATOM 388 CA LEU A 27 9.791 -4.208 -0.902 1.00 0.00 C ATOM 389 C LEU A 27 10.569 -5.456 -0.498 1.00 0.00 C ATOM 390 O LEU A 27 11.724 -5.634 -0.885 1.00 0.00 O ATOM 391 CB LEU A 27 9.796 -3.196 0.245 1.00 0.00 C ATOM 392 CG LEU A 27 8.968 -1.930 0.027 1.00 0.00 C ATOM 393 CD1 LEU A 27 8.878 -1.123 1.312 1.00 0.00 C ATOM 394 CD2 LEU A 27 9.564 -1.089 -1.093 1.00 0.00 C ATOM 0 H LEU A 27 7.749 -4.481 -0.508 1.00 0.00 H new ATOM 0 HA LEU A 27 10.278 -3.765 -1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.432 -3.694 1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.828 -2.902 0.439 1.00 0.00 H new ATOM 0 HG LEU A 27 7.960 -2.224 -0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.285 -0.225 1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.405 -1.725 2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.880 -0.839 1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.962 -0.192 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.583 -0.804 -0.831 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.575 -1.668 -2.016 1.00 0.00 H new ATOM 406 N THR A 28 9.927 -6.321 0.282 1.00 0.00 N ATOM 407 CA THR A 28 10.557 -7.553 0.738 1.00 0.00 C ATOM 408 C THR A 28 9.570 -8.715 0.720 1.00 0.00 C ATOM 409 O THR A 28 8.354 -8.527 0.726 1.00 0.00 O ATOM 410 CB THR A 28 11.126 -7.400 2.161 1.00 0.00 C ATOM 411 OG1 THR A 28 10.296 -6.521 2.929 1.00 0.00 O ATOM 412 CG2 THR A 28 12.546 -6.857 2.121 1.00 0.00 C ATOM 0 H THR A 28 8.970 -6.190 0.611 1.00 0.00 H new ATOM 0 HA THR A 28 11.375 -7.763 0.048 1.00 0.00 H new ATOM 0 HB THR A 28 11.143 -8.384 2.629 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.664 -6.430 3.833 1.00 0.00 H new ATOM 0 HG21 THR A 28 12.926 -6.758 3.138 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.182 -7.543 1.561 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.549 -5.881 1.636 1.00 0.00 H new ATOM 420 N PRO A 29 10.104 -9.945 0.697 1.00 0.00 N ATOM 421 CA PRO A 29 9.287 -11.162 0.679 1.00 0.00 C ATOM 422 C PRO A 29 8.562 -11.394 2.001 1.00 0.00 C ATOM 423 O PRO A 29 7.772 -12.329 2.132 1.00 0.00 O ATOM 424 CB PRO A 29 10.310 -12.273 0.428 1.00 0.00 C ATOM 425 CG PRO A 29 11.597 -11.725 0.941 1.00 0.00 C ATOM 426 CD PRO A 29 11.546 -10.243 0.689 1.00 0.00 C ATOM 0 HA PRO A 29 8.499 -11.112 -0.072 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.034 -13.190 0.949 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.378 -12.517 -0.632 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.715 -11.936 2.004 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.446 -12.179 0.430 1.00 0.00 H new ATOM 0 HD2 PRO A 29 12.076 -9.686 1.461 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.005 -9.981 -0.264 1.00 0.00 H new ATOM 434 N THR A 30 8.836 -10.536 2.979 1.00 0.00 N ATOM 435 CA THR A 30 8.211 -10.648 4.291 1.00 0.00 C ATOM 436 C THR A 30 7.363 -9.420 4.602 1.00 0.00 C ATOM 437 O THR A 30 6.523 -9.444 5.502 1.00 0.00 O ATOM 438 CB THR A 30 9.263 -10.826 5.401 1.00 0.00 C ATOM 439 OG1 THR A 30 10.269 -9.813 5.291 1.00 0.00 O ATOM 440 CG2 THR A 30 9.910 -12.200 5.318 1.00 0.00 C ATOM 0 H THR A 30 9.487 -9.756 2.887 1.00 0.00 H new ATOM 0 HA THR A 30 7.572 -11.530 4.262 1.00 0.00 H new ATOM 0 HB THR A 30 8.761 -10.735 6.364 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.933 -9.933 6.002 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.650 -12.302 6.112 1.00 0.00 H new ATOM 0 HG22 THR A 30 9.146 -12.969 5.432 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.398 -12.314 4.350 1.00 0.00 H new ATOM 448 N THR A 31 7.589 -8.345 3.852 1.00 0.00 N ATOM 449 CA THR A 31 6.846 -7.107 4.049 1.00 0.00 C ATOM 450 C THR A 31 6.463 -6.478 2.714 1.00 0.00 C ATOM 451 O THR A 31 7.111 -6.716 1.695 1.00 0.00 O ATOM 452 CB THR A 31 7.659 -6.088 4.869 1.00 0.00 C ATOM 453 OG1 THR A 31 8.238 -6.729 6.011 1.00 0.00 O ATOM 454 CG2 THR A 31 6.780 -4.932 5.321 1.00 0.00 C ATOM 0 H THR A 31 8.280 -8.308 3.103 1.00 0.00 H new ATOM 0 HA THR A 31 5.941 -7.365 4.599 1.00 0.00 H new ATOM 0 HB THR A 31 8.452 -5.693 4.234 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.879 -6.122 6.436 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.376 -4.225 5.898 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.364 -4.428 4.448 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.968 -5.313 5.941 1.00 0.00 H new ATOM 462 N VAL A 32 5.405 -5.672 2.726 1.00 0.00 N ATOM 463 CA VAL A 32 4.937 -5.007 1.517 1.00 0.00 C ATOM 464 C VAL A 32 4.452 -3.594 1.819 1.00 0.00 C ATOM 465 O VAL A 32 3.777 -3.360 2.822 1.00 0.00 O ATOM 466 CB VAL A 32 3.796 -5.797 0.847 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.209 -5.008 -0.313 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.293 -7.157 0.381 1.00 0.00 C ATOM 0 H VAL A 32 4.856 -5.464 3.561 1.00 0.00 H new ATOM 0 HA VAL A 32 5.785 -4.959 0.834 1.00 0.00 H new ATOM 0 HB VAL A 32 3.007 -5.956 1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.405 -5.582 -0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.814 -4.061 0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.986 -4.815 -1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.475 -7.702 -0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.101 -7.022 -0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.660 -7.723 1.237 1.00 0.00 H new ATOM 478 N GLN A 33 4.799 -2.655 0.945 1.00 0.00 N ATOM 479 CA GLN A 33 4.399 -1.264 1.120 1.00 0.00 C ATOM 480 C GLN A 33 3.295 -0.888 0.137 1.00 0.00 C ATOM 481 O GLN A 33 3.521 -0.821 -1.071 1.00 0.00 O ATOM 482 CB GLN A 33 5.602 -0.337 0.933 1.00 0.00 C ATOM 483 CG GLN A 33 5.363 1.079 1.431 1.00 0.00 C ATOM 484 CD GLN A 33 4.778 1.982 0.364 1.00 0.00 C ATOM 485 OE1 GLN A 33 4.138 1.516 -0.579 1.00 0.00 O ATOM 486 NE2 GLN A 33 4.995 3.285 0.507 1.00 0.00 N ATOM 0 H GLN A 33 5.356 -2.832 0.109 1.00 0.00 H new ATOM 0 HA GLN A 33 4.014 -1.148 2.133 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.459 -0.758 1.458 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.862 -0.302 -0.125 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.689 1.050 2.287 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.305 1.501 1.782 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.531 3.628 1.304 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.626 3.942 -0.180 1.00 0.00 H new ATOM 495 N VAL A 34 2.099 -0.643 0.663 1.00 0.00 N ATOM 496 CA VAL A 34 0.959 -0.273 -0.167 1.00 0.00 C ATOM 497 C VAL A 34 0.795 1.241 -0.232 1.00 0.00 C ATOM 498 O VAL A 34 0.930 1.936 0.777 1.00 0.00 O ATOM 499 CB VAL A 34 -0.346 -0.898 0.360 1.00 0.00 C ATOM 500 CG1 VAL A 34 -1.522 -0.499 -0.518 1.00 0.00 C ATOM 501 CG2 VAL A 34 -0.218 -2.412 0.438 1.00 0.00 C ATOM 0 H VAL A 34 1.895 -0.694 1.661 1.00 0.00 H new ATOM 0 HA VAL A 34 1.158 -0.657 -1.167 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.529 -0.519 1.366 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.435 -0.950 -0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.625 0.586 -0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.350 -0.847 -1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.149 -2.837 0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.010 -2.811 -0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.597 -2.674 1.112 1.00 0.00 H new ATOM 511 N THR A 35 0.502 1.749 -1.425 1.00 0.00 N ATOM 512 CA THR A 35 0.319 3.182 -1.622 1.00 0.00 C ATOM 513 C THR A 35 -1.046 3.484 -2.229 1.00 0.00 C ATOM 514 O THR A 35 -1.631 2.644 -2.913 1.00 0.00 O ATOM 515 CB THR A 35 1.415 3.767 -2.533 1.00 0.00 C ATOM 516 OG1 THR A 35 2.703 3.315 -2.104 1.00 0.00 O ATOM 517 CG2 THR A 35 1.375 5.288 -2.518 1.00 0.00 C ATOM 0 H THR A 35 0.386 1.189 -2.270 1.00 0.00 H new ATOM 0 HA THR A 35 0.387 3.648 -0.639 1.00 0.00 H new ATOM 0 HB THR A 35 1.231 3.424 -3.551 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.596 2.643 -1.399 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.158 5.679 -3.168 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.403 5.630 -2.874 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.536 5.646 -1.501 1.00 0.00 H new ATOM 525 N TRP A 36 -1.548 4.686 -1.974 1.00 0.00 N ATOM 526 CA TRP A 36 -2.846 5.099 -2.497 1.00 0.00 C ATOM 527 C TRP A 36 -3.041 6.603 -2.343 1.00 0.00 C ATOM 528 O TRP A 36 -2.560 7.208 -1.384 1.00 0.00 O ATOM 529 CB TRP A 36 -3.969 4.351 -1.778 1.00 0.00 C ATOM 530 CG TRP A 36 -4.169 4.797 -0.361 1.00 0.00 C ATOM 531 CD1 TRP A 36 -4.883 5.881 0.064 1.00 0.00 C ATOM 532 CD2 TRP A 36 -3.647 4.172 0.816 1.00 0.00 C ATOM 533 NE1 TRP A 36 -4.836 5.967 1.434 1.00 0.00 N ATOM 534 CE2 TRP A 36 -4.084 4.930 1.920 1.00 0.00 C ATOM 535 CE3 TRP A 36 -2.854 3.044 1.046 1.00 0.00 C ATOM 536 CZ2 TRP A 36 -3.753 4.596 3.230 1.00 0.00 C ATOM 537 CZ3 TRP A 36 -2.526 2.714 2.347 1.00 0.00 C ATOM 538 CH2 TRP A 36 -2.976 3.487 3.426 1.00 0.00 C ATOM 0 H TRP A 36 -1.077 5.392 -1.409 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.877 4.854 -3.559 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.899 4.490 -2.329 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -3.749 3.284 -1.788 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.407 6.569 -0.582 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.288 6.687 1.998 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.504 2.441 0.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -4.097 5.191 4.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.912 1.846 2.536 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.704 3.202 4.432 1.00 0.00 H new ATOM 549 N THR A 37 -3.750 7.204 -3.295 1.00 0.00 N ATOM 550 CA THR A 37 -4.007 8.638 -3.265 1.00 0.00 C ATOM 551 C THR A 37 -5.504 8.927 -3.246 1.00 0.00 C ATOM 552 O THR A 37 -6.313 8.092 -3.651 1.00 0.00 O ATOM 553 CB THR A 37 -3.374 9.348 -4.477 1.00 0.00 C ATOM 554 OG1 THR A 37 -3.429 10.767 -4.297 1.00 0.00 O ATOM 555 CG2 THR A 37 -4.091 8.966 -5.763 1.00 0.00 C ATOM 0 H THR A 37 -4.156 6.719 -4.095 1.00 0.00 H new ATOM 0 HA THR A 37 -3.553 9.022 -2.351 1.00 0.00 H new ATOM 0 HB THR A 37 -2.333 9.032 -4.553 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.023 11.211 -5.071 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.627 9.479 -6.605 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.022 7.888 -5.912 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.140 9.256 -5.695 1.00 0.00 H new ATOM 563 N VAL A 38 -5.866 10.116 -2.775 1.00 0.00 N ATOM 564 CA VAL A 38 -7.267 10.516 -2.705 1.00 0.00 C ATOM 565 C VAL A 38 -7.466 11.918 -3.270 1.00 0.00 C ATOM 566 O VAL A 38 -6.904 12.889 -2.762 1.00 0.00 O ATOM 567 CB VAL A 38 -7.790 10.479 -1.257 1.00 0.00 C ATOM 568 CG1 VAL A 38 -7.657 9.079 -0.677 1.00 0.00 C ATOM 569 CG2 VAL A 38 -7.050 11.493 -0.397 1.00 0.00 C ATOM 0 H VAL A 38 -5.209 10.819 -2.436 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.831 9.802 -3.305 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.847 10.745 -1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.031 9.072 0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.236 8.379 -1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.608 8.781 -0.682 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.432 11.453 0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.985 11.260 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.202 12.493 -0.802 1.00 0.00 H new ATOM 579 N ASP A 39 -8.270 12.017 -4.323 1.00 0.00 N ATOM 580 CA ASP A 39 -8.546 13.301 -4.956 1.00 0.00 C ATOM 581 C ASP A 39 -8.949 14.344 -3.918 1.00 0.00 C ATOM 582 O ASP A 39 -8.462 15.475 -3.938 1.00 0.00 O ATOM 583 CB ASP A 39 -9.651 13.151 -6.002 1.00 0.00 C ATOM 584 CG ASP A 39 -9.150 12.521 -7.287 1.00 0.00 C ATOM 585 OD1 ASP A 39 -8.166 13.037 -7.857 1.00 0.00 O ATOM 586 OD2 ASP A 39 -9.742 11.512 -7.723 1.00 0.00 O ATOM 0 H ASP A 39 -8.742 11.223 -4.756 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.634 13.639 -5.448 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.456 12.541 -5.591 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.074 14.131 -6.222 1.00 0.00 H new ATOM 591 N ARG A 40 -9.842 13.957 -3.014 1.00 0.00 N ATOM 592 CA ARG A 40 -10.312 14.859 -1.969 1.00 0.00 C ATOM 593 C ARG A 40 -10.068 14.263 -0.586 1.00 0.00 C ATOM 594 O ARG A 40 -10.782 13.359 -0.155 1.00 0.00 O ATOM 595 CB ARG A 40 -11.802 15.153 -2.153 1.00 0.00 C ATOM 596 CG ARG A 40 -12.134 15.806 -3.485 1.00 0.00 C ATOM 597 CD ARG A 40 -12.403 14.768 -4.563 1.00 0.00 C ATOM 598 NE ARG A 40 -12.933 15.370 -5.783 1.00 0.00 N ATOM 599 CZ ARG A 40 -13.611 14.693 -6.703 1.00 0.00 C ATOM 600 NH1 ARG A 40 -13.842 13.397 -6.541 1.00 0.00 N ATOM 601 NH2 ARG A 40 -14.061 15.312 -7.787 1.00 0.00 N ATOM 0 H ARG A 40 -10.255 13.025 -2.984 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.751 15.790 -2.048 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.361 14.221 -2.065 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.138 15.803 -1.345 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -13.008 16.447 -3.369 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.308 16.447 -3.793 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.480 14.237 -4.793 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.111 14.029 -4.186 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.774 16.366 -5.937 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.499 12.918 -5.708 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.363 12.879 -7.249 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.886 16.309 -7.915 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.581 14.791 -8.493 1.00 0.00 H new ATOM 615 N GLN A 41 -9.054 14.777 0.103 1.00 0.00 N ATOM 616 CA GLN A 41 -8.715 14.295 1.437 1.00 0.00 C ATOM 617 C GLN A 41 -9.850 14.566 2.418 1.00 0.00 C ATOM 618 O GLN A 41 -10.203 15.713 2.695 1.00 0.00 O ATOM 619 CB GLN A 41 -7.428 14.959 1.930 1.00 0.00 C ATOM 620 CG GLN A 41 -6.954 14.439 3.278 1.00 0.00 C ATOM 621 CD GLN A 41 -5.706 15.145 3.769 1.00 0.00 C ATOM 622 OE1 GLN A 41 -4.731 15.293 3.032 1.00 0.00 O ATOM 623 NE2 GLN A 41 -5.730 15.587 5.022 1.00 0.00 N ATOM 0 H GLN A 41 -8.453 15.527 -0.240 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.560 13.218 1.379 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.642 14.801 1.192 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.588 16.035 2.000 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.750 14.564 4.012 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.756 13.370 3.202 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.559 15.443 5.598 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.919 16.071 5.408 1.00 0.00 H new ATOM 632 N PRO A 42 -10.437 13.488 2.958 1.00 0.00 N ATOM 633 CA PRO A 42 -11.541 13.584 3.918 1.00 0.00 C ATOM 634 C PRO A 42 -11.091 14.135 5.266 1.00 0.00 C ATOM 635 O PRO A 42 -9.968 13.887 5.704 1.00 0.00 O ATOM 636 CB PRO A 42 -12.013 12.135 4.063 1.00 0.00 C ATOM 637 CG PRO A 42 -10.820 11.312 3.717 1.00 0.00 C ATOM 638 CD PRO A 42 -10.068 12.091 2.674 1.00 0.00 C ATOM 0 HA PRO A 42 -12.319 14.268 3.577 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.355 11.930 5.077 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -12.848 11.922 3.396 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.199 11.136 4.596 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.117 10.335 3.336 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.992 11.935 2.755 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.358 11.796 1.666 1.00 0.00 H new ATOM 646 N GLN A 43 -11.974 14.883 5.919 1.00 0.00 N ATOM 647 CA GLN A 43 -11.666 15.469 7.218 1.00 0.00 C ATOM 648 C GLN A 43 -12.223 14.611 8.349 1.00 0.00 C ATOM 649 O GLN A 43 -11.526 14.314 9.319 1.00 0.00 O ATOM 650 CB GLN A 43 -12.234 16.886 7.310 1.00 0.00 C ATOM 651 CG GLN A 43 -11.693 17.684 8.486 1.00 0.00 C ATOM 652 CD GLN A 43 -12.596 18.839 8.872 1.00 0.00 C ATOM 653 OE1 GLN A 43 -13.674 18.639 9.434 1.00 0.00 O ATOM 654 NE2 GLN A 43 -12.160 20.057 8.574 1.00 0.00 N ATOM 0 H GLN A 43 -12.908 15.098 5.570 1.00 0.00 H new ATOM 0 HA GLN A 43 -10.582 15.513 7.320 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -12.010 17.419 6.386 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -13.320 16.829 7.389 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.569 17.022 9.343 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -10.704 18.069 8.235 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.261 20.177 8.108 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.724 20.873 8.811 1.00 0.00 H new ATOM 663 N PHE A 44 -13.485 14.215 8.217 1.00 0.00 N ATOM 664 CA PHE A 44 -14.137 13.391 9.229 1.00 0.00 C ATOM 665 C PHE A 44 -13.384 12.079 9.430 1.00 0.00 C ATOM 666 O PHE A 44 -13.174 11.638 10.560 1.00 0.00 O ATOM 667 CB PHE A 44 -15.586 13.105 8.828 1.00 0.00 C ATOM 668 CG PHE A 44 -15.710 12.180 7.651 1.00 0.00 C ATOM 669 CD1 PHE A 44 -15.480 12.639 6.364 1.00 0.00 C ATOM 670 CD2 PHE A 44 -16.057 10.850 7.832 1.00 0.00 C ATOM 671 CE1 PHE A 44 -15.595 11.790 5.280 1.00 0.00 C ATOM 672 CE2 PHE A 44 -16.173 9.996 6.751 1.00 0.00 C ATOM 673 CZ PHE A 44 -15.940 10.467 5.474 1.00 0.00 C ATOM 0 H PHE A 44 -14.076 14.451 7.420 1.00 0.00 H new ATOM 0 HA PHE A 44 -14.130 13.941 10.170 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -16.111 12.670 9.679 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -16.083 14.047 8.594 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -15.208 13.672 6.206 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -16.239 10.477 8.829 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -15.415 12.161 4.282 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -16.445 8.962 6.905 1.00 0.00 H new ATOM 0 HZ PHE A 44 -16.027 9.801 4.628 1.00 0.00 H new ATOM 683 N ILE A 45 -12.982 11.459 8.325 1.00 0.00 N ATOM 684 CA ILE A 45 -12.253 10.198 8.380 1.00 0.00 C ATOM 685 C ILE A 45 -11.401 10.110 9.641 1.00 0.00 C ATOM 686 O ILE A 45 -10.857 11.112 10.105 1.00 0.00 O ATOM 687 CB ILE A 45 -11.346 10.019 7.148 1.00 0.00 C ATOM 688 CG1 ILE A 45 -11.029 8.538 6.932 1.00 0.00 C ATOM 689 CG2 ILE A 45 -10.065 10.822 7.311 1.00 0.00 C ATOM 690 CD1 ILE A 45 -10.408 8.242 5.585 1.00 0.00 C ATOM 0 H ILE A 45 -13.149 11.809 7.382 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.998 9.403 8.392 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.874 10.390 6.270 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.351 8.202 7.717 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -11.947 7.960 7.034 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.435 10.685 6.432 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.309 11.879 7.421 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.531 10.479 8.197 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -10.211 7.173 5.502 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -11.093 8.547 4.794 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.472 8.792 5.487 1.00 0.00 H new ATOM 702 N GLN A 46 -11.288 8.905 10.189 1.00 0.00 N ATOM 703 CA GLN A 46 -10.500 8.686 11.397 1.00 0.00 C ATOM 704 C GLN A 46 -9.411 7.646 11.155 1.00 0.00 C ATOM 705 O GLN A 46 -9.031 6.908 12.063 1.00 0.00 O ATOM 706 CB GLN A 46 -11.404 8.237 12.546 1.00 0.00 C ATOM 707 CG GLN A 46 -12.458 9.264 12.928 1.00 0.00 C ATOM 708 CD GLN A 46 -11.934 10.304 13.899 1.00 0.00 C ATOM 709 OE1 GLN A 46 -11.658 10.003 15.061 1.00 0.00 O ATOM 710 NE2 GLN A 46 -11.793 11.537 13.427 1.00 0.00 N ATOM 0 H GLN A 46 -11.732 8.065 9.816 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.023 9.629 11.666 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.899 7.307 12.266 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.788 8.019 13.418 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -12.818 9.762 12.028 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.312 8.754 13.374 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.034 11.743 12.457 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.444 12.279 14.034 1.00 0.00 H new ATOM 719 N GLY A 47 -8.912 7.594 9.923 1.00 0.00 N ATOM 720 CA GLY A 47 -7.871 6.641 9.584 1.00 0.00 C ATOM 721 C GLY A 47 -8.166 5.893 8.300 1.00 0.00 C ATOM 722 O GLY A 47 -9.086 6.250 7.563 1.00 0.00 O ATOM 0 H GLY A 47 -9.210 8.195 9.154 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.921 7.166 9.485 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.757 5.926 10.399 1.00 0.00 H new ATOM 726 N TYR A 48 -7.384 4.854 8.029 1.00 0.00 N ATOM 727 CA TYR A 48 -7.564 4.056 6.822 1.00 0.00 C ATOM 728 C TYR A 48 -7.347 2.574 7.111 1.00 0.00 C ATOM 729 O TYR A 48 -6.299 2.176 7.619 1.00 0.00 O ATOM 730 CB TYR A 48 -6.598 4.520 5.730 1.00 0.00 C ATOM 731 CG TYR A 48 -6.985 5.840 5.101 1.00 0.00 C ATOM 732 CD1 TYR A 48 -6.720 7.043 5.743 1.00 0.00 C ATOM 733 CD2 TYR A 48 -7.614 5.883 3.863 1.00 0.00 C ATOM 734 CE1 TYR A 48 -7.072 8.250 5.172 1.00 0.00 C ATOM 735 CE2 TYR A 48 -7.968 7.086 3.283 1.00 0.00 C ATOM 736 CZ TYR A 48 -7.696 8.267 3.942 1.00 0.00 C ATOM 737 OH TYR A 48 -8.047 9.467 3.369 1.00 0.00 O ATOM 0 H TYR A 48 -6.619 4.545 8.629 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.588 4.194 6.475 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.598 4.609 6.155 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.548 3.757 4.953 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -6.230 7.034 6.705 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.830 4.960 3.345 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -6.860 9.176 5.686 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.455 7.102 2.319 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.476 9.303 2.503 1.00 0.00 H new ATOM 747 N ARG A 49 -8.347 1.762 6.784 1.00 0.00 N ATOM 748 CA ARG A 49 -8.268 0.323 7.008 1.00 0.00 C ATOM 749 C ARG A 49 -7.633 -0.380 5.812 1.00 0.00 C ATOM 750 O ARG A 49 -8.103 -0.250 4.681 1.00 0.00 O ATOM 751 CB ARG A 49 -9.661 -0.251 7.270 1.00 0.00 C ATOM 752 CG ARG A 49 -9.643 -1.676 7.800 1.00 0.00 C ATOM 753 CD ARG A 49 -10.946 -2.025 8.502 1.00 0.00 C ATOM 754 NE ARG A 49 -10.958 -1.572 9.890 1.00 0.00 N ATOM 755 CZ ARG A 49 -11.733 -2.102 10.830 1.00 0.00 C ATOM 756 NH1 ARG A 49 -12.554 -3.100 10.532 1.00 0.00 N ATOM 757 NH2 ARG A 49 -11.687 -1.635 12.071 1.00 0.00 N ATOM 0 H ARG A 49 -9.221 2.076 6.363 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.641 0.151 7.883 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.179 0.387 7.986 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.236 -0.224 6.344 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.475 -2.370 6.976 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.811 -1.797 8.494 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.780 -1.572 7.966 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.096 -3.104 8.472 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.337 -0.806 10.152 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.591 -3.462 9.579 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.148 -3.505 11.256 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.056 -0.868 12.304 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.283 -2.043 12.792 1.00 0.00 H new ATOM 771 N VAL A 50 -6.562 -1.124 6.069 1.00 0.00 N ATOM 772 CA VAL A 50 -5.863 -1.848 5.014 1.00 0.00 C ATOM 773 C VAL A 50 -6.104 -3.349 5.125 1.00 0.00 C ATOM 774 O VAL A 50 -5.385 -4.053 5.834 1.00 0.00 O ATOM 775 CB VAL A 50 -4.347 -1.578 5.058 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.627 -2.402 4.002 1.00 0.00 C ATOM 777 CG2 VAL A 50 -4.065 -0.095 4.873 1.00 0.00 C ATOM 0 H VAL A 50 -6.159 -1.241 6.999 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.262 -1.488 4.065 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.970 -1.877 6.036 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.557 -2.198 4.048 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.803 -3.462 4.185 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.004 -2.137 3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.989 0.078 4.907 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.455 0.232 3.909 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.548 0.470 5.670 1.00 0.00 H new ATOM 787 N MET A 51 -7.120 -3.833 4.419 1.00 0.00 N ATOM 788 CA MET A 51 -7.455 -5.253 4.437 1.00 0.00 C ATOM 789 C MET A 51 -6.510 -6.046 3.541 1.00 0.00 C ATOM 790 O MET A 51 -6.110 -5.577 2.475 1.00 0.00 O ATOM 791 CB MET A 51 -8.902 -5.463 3.985 1.00 0.00 C ATOM 792 CG MET A 51 -9.915 -5.331 5.110 1.00 0.00 C ATOM 793 SD MET A 51 -11.610 -5.590 4.552 1.00 0.00 S ATOM 794 CE MET A 51 -11.509 -7.266 3.928 1.00 0.00 C ATOM 0 H MET A 51 -7.726 -3.264 3.828 1.00 0.00 H new ATOM 0 HA MET A 51 -7.345 -5.614 5.460 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.140 -4.738 3.206 1.00 0.00 H new ATOM 0 HB3 MET A 51 -8.994 -6.453 3.538 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.680 -6.053 5.892 1.00 0.00 H new ATOM 0 HG3 MET A 51 -9.831 -4.340 5.555 1.00 0.00 H new ATOM 0 HE1 MET A 51 -12.501 -7.603 3.628 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.841 -7.294 3.067 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.123 -7.922 4.708 1.00 0.00 H new ATOM 804 N TYR A 52 -6.156 -7.249 3.979 1.00 0.00 N ATOM 805 CA TYR A 52 -5.255 -8.106 3.218 1.00 0.00 C ATOM 806 C TYR A 52 -5.437 -9.570 3.607 1.00 0.00 C ATOM 807 O TYR A 52 -5.967 -9.879 4.674 1.00 0.00 O ATOM 808 CB TYR A 52 -3.803 -7.683 3.444 1.00 0.00 C ATOM 809 CG TYR A 52 -3.334 -7.864 4.870 1.00 0.00 C ATOM 810 CD1 TYR A 52 -3.612 -6.909 5.840 1.00 0.00 C ATOM 811 CD2 TYR A 52 -2.614 -8.991 5.247 1.00 0.00 C ATOM 812 CE1 TYR A 52 -3.186 -7.071 7.144 1.00 0.00 C ATOM 813 CE2 TYR A 52 -2.184 -9.161 6.549 1.00 0.00 C ATOM 814 CZ TYR A 52 -2.472 -8.198 7.494 1.00 0.00 C ATOM 815 OH TYR A 52 -2.046 -8.363 8.792 1.00 0.00 O ATOM 0 H TYR A 52 -6.480 -7.653 4.858 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.498 -7.997 2.161 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.158 -8.261 2.782 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.691 -6.636 3.164 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.171 -6.025 5.570 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.387 -9.747 4.510 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.411 -6.319 7.886 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.625 -10.043 6.825 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.558 -9.209 8.871 1.00 0.00 H new ATOM 825 N ARG A 53 -4.992 -10.467 2.733 1.00 0.00 N ATOM 826 CA ARG A 53 -5.105 -11.898 2.984 1.00 0.00 C ATOM 827 C ARG A 53 -4.297 -12.694 1.963 1.00 0.00 C ATOM 828 O ARG A 53 -3.985 -12.198 0.881 1.00 0.00 O ATOM 829 CB ARG A 53 -6.571 -12.331 2.938 1.00 0.00 C ATOM 830 CG ARG A 53 -7.141 -12.405 1.531 1.00 0.00 C ATOM 831 CD ARG A 53 -8.254 -13.438 1.434 1.00 0.00 C ATOM 832 NE ARG A 53 -8.773 -13.557 0.074 1.00 0.00 N ATOM 833 CZ ARG A 53 -9.910 -14.173 -0.227 1.00 0.00 C ATOM 834 NH1 ARG A 53 -10.644 -14.724 0.731 1.00 0.00 N ATOM 835 NH2 ARG A 53 -10.317 -14.240 -1.488 1.00 0.00 N ATOM 0 H ARG A 53 -4.550 -10.228 1.845 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.704 -12.100 3.977 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.667 -13.308 3.412 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.166 -11.632 3.526 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.525 -11.427 1.241 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.347 -12.657 0.828 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.879 -14.407 1.765 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.065 -13.162 2.109 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.232 -13.144 -0.686 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.335 -14.675 1.702 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.517 -15.197 0.497 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.756 -13.818 -2.228 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.191 -14.714 -1.717 1.00 0.00 H new ATOM 849 N GLN A 54 -3.960 -13.931 2.317 1.00 0.00 N ATOM 850 CA GLN A 54 -3.187 -14.794 1.432 1.00 0.00 C ATOM 851 C GLN A 54 -4.075 -15.400 0.350 1.00 0.00 C ATOM 852 O GLN A 54 -5.288 -15.524 0.524 1.00 0.00 O ATOM 853 CB GLN A 54 -2.510 -15.907 2.234 1.00 0.00 C ATOM 854 CG GLN A 54 -1.336 -16.549 1.513 1.00 0.00 C ATOM 855 CD GLN A 54 -0.462 -17.372 2.438 1.00 0.00 C ATOM 856 OE1 GLN A 54 -0.365 -17.091 3.633 1.00 0.00 O ATOM 857 NE2 GLN A 54 0.180 -18.397 1.890 1.00 0.00 N ATOM 0 H GLN A 54 -4.210 -14.357 3.209 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.422 -14.185 0.950 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.164 -15.500 3.184 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.247 -16.676 2.467 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.711 -17.186 0.712 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.732 -15.771 1.046 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.071 -18.594 0.895 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.782 -18.987 2.464 1.00 0.00 H new ATOM 866 N THR A 55 -3.463 -15.774 -0.769 1.00 0.00 N ATOM 867 CA THR A 55 -4.198 -16.365 -1.881 1.00 0.00 C ATOM 868 C THR A 55 -3.956 -17.868 -1.963 1.00 0.00 C ATOM 869 O THR A 55 -4.889 -18.647 -2.157 1.00 0.00 O ATOM 870 CB THR A 55 -3.803 -15.719 -3.222 1.00 0.00 C ATOM 871 OG1 THR A 55 -2.400 -15.887 -3.452 1.00 0.00 O ATOM 872 CG2 THR A 55 -4.150 -14.238 -3.232 1.00 0.00 C ATOM 0 H THR A 55 -2.460 -15.678 -0.930 1.00 0.00 H new ATOM 0 HA THR A 55 -5.256 -16.180 -1.695 1.00 0.00 H new ATOM 0 HB THR A 55 -4.363 -16.212 -4.017 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.896 -15.370 -2.790 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.862 -13.803 -4.189 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.223 -14.115 -3.086 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.614 -13.733 -2.428 1.00 0.00 H new ATOM 880 N SER A 56 -2.698 -18.269 -1.813 1.00 0.00 N ATOM 881 CA SER A 56 -2.333 -19.680 -1.873 1.00 0.00 C ATOM 882 C SER A 56 -1.757 -20.150 -0.540 1.00 0.00 C ATOM 883 O SER A 56 -1.493 -19.345 0.352 1.00 0.00 O ATOM 884 CB SER A 56 -1.318 -19.919 -2.993 1.00 0.00 C ATOM 885 OG SER A 56 -1.787 -19.399 -4.225 1.00 0.00 O ATOM 0 H SER A 56 -1.914 -17.637 -1.649 1.00 0.00 H new ATOM 0 HA SER A 56 -3.236 -20.255 -2.081 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.369 -19.450 -2.734 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.128 -20.988 -3.094 1.00 0.00 H new ATOM 0 HG SER A 56 -1.120 -19.563 -4.924 1.00 0.00 H new ATOM 891 N GLY A 57 -1.564 -21.459 -0.415 1.00 0.00 N ATOM 892 CA GLY A 57 -1.021 -22.015 0.811 1.00 0.00 C ATOM 893 C GLY A 57 -2.101 -22.521 1.747 1.00 0.00 C ATOM 894 O GLY A 57 -3.034 -23.202 1.319 1.00 0.00 O ATOM 0 H GLY A 57 -1.774 -22.145 -1.140 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.344 -22.833 0.566 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.430 -21.254 1.321 1.00 0.00 H new ATOM 898 N LEU A 58 -1.976 -22.189 3.027 1.00 0.00 N ATOM 899 CA LEU A 58 -2.949 -22.616 4.027 1.00 0.00 C ATOM 900 C LEU A 58 -3.917 -21.486 4.362 1.00 0.00 C ATOM 901 O LEU A 58 -5.128 -21.691 4.420 1.00 0.00 O ATOM 902 CB LEU A 58 -2.233 -23.084 5.295 1.00 0.00 C ATOM 903 CG LEU A 58 -3.032 -24.010 6.213 1.00 0.00 C ATOM 904 CD1 LEU A 58 -4.048 -23.216 7.019 1.00 0.00 C ATOM 905 CD2 LEU A 58 -3.723 -25.097 5.403 1.00 0.00 C ATOM 0 H LEU A 58 -1.211 -21.625 3.397 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.520 -23.447 3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.317 -23.597 5.003 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.937 -22.205 5.867 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.340 -24.487 6.908 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.607 -23.892 7.666 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.530 -22.475 7.628 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.736 -22.711 6.341 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.287 -25.747 6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.403 -24.639 4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.975 -25.685 4.871 1.00 0.00 H new ATOM 917 N GLN A 59 -3.372 -20.293 4.580 1.00 0.00 N ATOM 918 CA GLN A 59 -4.189 -19.130 4.908 1.00 0.00 C ATOM 919 C GLN A 59 -4.781 -18.508 3.648 1.00 0.00 C ATOM 920 O GLN A 59 -5.180 -17.344 3.647 1.00 0.00 O ATOM 921 CB GLN A 59 -3.355 -18.091 5.660 1.00 0.00 C ATOM 922 CG GLN A 59 -3.205 -18.390 7.143 1.00 0.00 C ATOM 923 CD GLN A 59 -1.991 -17.718 7.754 1.00 0.00 C ATOM 924 OE1 GLN A 59 -2.110 -16.926 8.689 1.00 0.00 O ATOM 925 NE2 GLN A 59 -0.813 -18.031 7.227 1.00 0.00 N ATOM 0 H GLN A 59 -2.370 -20.107 4.536 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.008 -19.461 5.547 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.365 -18.035 5.207 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.816 -17.111 5.540 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.101 -18.060 7.669 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -3.130 -19.468 7.287 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.760 -18.693 6.452 1.00 0.00 H new ATOM 0 HE22 GLN A 59 0.039 -17.610 7.597 1.00 0.00 H new ATOM 934 N ALA A 60 -4.836 -19.292 2.576 1.00 0.00 N ATOM 935 CA ALA A 60 -5.381 -18.819 1.310 1.00 0.00 C ATOM 936 C ALA A 60 -6.889 -18.612 1.405 1.00 0.00 C ATOM 937 O ALA A 60 -7.582 -19.335 2.121 1.00 0.00 O ATOM 938 CB ALA A 60 -5.050 -19.798 0.194 1.00 0.00 C ATOM 0 H ALA A 60 -4.509 -20.258 2.560 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.922 -17.857 1.082 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.463 -19.432 -0.746 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.968 -19.893 0.102 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.481 -20.772 0.425 1.00 0.00 H new ATOM 944 N THR A 61 -7.393 -17.619 0.678 1.00 0.00 N ATOM 945 CA THR A 61 -8.818 -17.316 0.682 1.00 0.00 C ATOM 946 C THR A 61 -9.422 -17.528 2.066 1.00 0.00 C ATOM 947 O THR A 61 -10.603 -17.849 2.195 1.00 0.00 O ATOM 948 CB THR A 61 -9.580 -18.184 -0.337 1.00 0.00 C ATOM 949 OG1 THR A 61 -10.920 -17.701 -0.487 1.00 0.00 O ATOM 950 CG2 THR A 61 -9.607 -19.639 0.106 1.00 0.00 C ATOM 0 H THR A 61 -6.834 -17.011 0.079 1.00 0.00 H new ATOM 0 HA THR A 61 -8.919 -16.267 0.402 1.00 0.00 H new ATOM 0 HB THR A 61 -9.062 -18.121 -1.294 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.316 -17.555 0.397 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.150 -20.233 -0.629 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.586 -20.012 0.192 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.104 -19.716 1.073 1.00 0.00 H new ATOM 958 N SER A 62 -8.604 -17.345 3.097 1.00 0.00 N ATOM 959 CA SER A 62 -9.057 -17.519 4.472 1.00 0.00 C ATOM 960 C SER A 62 -9.495 -16.187 5.073 1.00 0.00 C ATOM 961 O SER A 62 -9.344 -15.135 4.453 1.00 0.00 O ATOM 962 CB SER A 62 -7.945 -18.135 5.324 1.00 0.00 C ATOM 963 OG SER A 62 -8.421 -18.477 6.614 1.00 0.00 O ATOM 0 H SER A 62 -7.624 -17.076 3.006 1.00 0.00 H new ATOM 0 HA SER A 62 -9.914 -18.193 4.463 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.554 -19.024 4.830 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.118 -17.430 5.413 1.00 0.00 H new ATOM 0 HG SER A 62 -7.692 -18.870 7.138 1.00 0.00 H new ATOM 969 N SER A 63 -10.038 -16.242 6.285 1.00 0.00 N ATOM 970 CA SER A 63 -10.502 -15.041 6.970 1.00 0.00 C ATOM 971 C SER A 63 -9.624 -13.843 6.620 1.00 0.00 C ATOM 972 O SER A 63 -8.417 -13.852 6.864 1.00 0.00 O ATOM 973 CB SER A 63 -10.506 -15.261 8.484 1.00 0.00 C ATOM 974 OG SER A 63 -9.198 -15.519 8.965 1.00 0.00 O ATOM 0 H SER A 63 -10.167 -17.105 6.813 1.00 0.00 H new ATOM 0 HA SER A 63 -11.519 -14.833 6.638 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.913 -14.381 8.982 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.160 -16.098 8.731 1.00 0.00 H new ATOM 0 HG SER A 63 -8.549 -15.006 8.440 1.00 0.00 H new ATOM 980 N TRP A 64 -10.239 -12.814 6.049 1.00 0.00 N ATOM 981 CA TRP A 64 -9.514 -11.608 5.665 1.00 0.00 C ATOM 982 C TRP A 64 -9.006 -10.864 6.895 1.00 0.00 C ATOM 983 O TRP A 64 -9.550 -11.013 7.989 1.00 0.00 O ATOM 984 CB TRP A 64 -10.412 -10.691 4.834 1.00 0.00 C ATOM 985 CG TRP A 64 -10.388 -11.006 3.369 1.00 0.00 C ATOM 986 CD1 TRP A 64 -11.119 -11.962 2.724 1.00 0.00 C ATOM 987 CD2 TRP A 64 -9.593 -10.363 2.367 1.00 0.00 C ATOM 988 NE1 TRP A 64 -10.825 -11.953 1.381 1.00 0.00 N ATOM 989 CE2 TRP A 64 -9.893 -10.980 1.137 1.00 0.00 C ATOM 990 CE3 TRP A 64 -8.658 -9.324 2.389 1.00 0.00 C ATOM 991 CZ2 TRP A 64 -9.289 -10.593 -0.057 1.00 0.00 C ATOM 992 CZ3 TRP A 64 -8.059 -8.942 1.203 1.00 0.00 C ATOM 993 CH2 TRP A 64 -8.377 -9.574 -0.006 1.00 0.00 C ATOM 0 H TRP A 64 -11.237 -12.790 5.842 1.00 0.00 H new ATOM 0 HA TRP A 64 -8.655 -11.906 5.063 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -11.436 -10.769 5.199 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.099 -9.657 4.981 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -11.825 -12.628 3.199 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -11.235 -12.571 0.680 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -8.408 -8.829 3.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -9.532 -11.080 -0.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -7.333 -8.142 1.209 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -7.893 -9.251 -0.916 1.00 0.00 H new ATOM 1004 N GLN A 65 -7.962 -10.063 6.708 1.00 0.00 N ATOM 1005 CA GLN A 65 -7.382 -9.296 7.805 1.00 0.00 C ATOM 1006 C GLN A 65 -7.554 -7.799 7.573 1.00 0.00 C ATOM 1007 O GLN A 65 -8.062 -7.376 6.535 1.00 0.00 O ATOM 1008 CB GLN A 65 -5.898 -9.633 7.961 1.00 0.00 C ATOM 1009 CG GLN A 65 -5.642 -10.890 8.776 1.00 0.00 C ATOM 1010 CD GLN A 65 -5.835 -10.670 10.263 1.00 0.00 C ATOM 1011 OE1 GLN A 65 -6.791 -11.171 10.857 1.00 0.00 O ATOM 1012 NE2 GLN A 65 -4.926 -9.919 10.874 1.00 0.00 N ATOM 0 H GLN A 65 -7.501 -9.928 5.808 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.907 -9.565 8.721 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.456 -9.755 6.972 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.391 -8.793 8.436 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.313 -11.680 8.439 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.625 -11.236 8.593 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.150 -9.524 10.343 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.004 -9.737 11.875 1.00 0.00 H new ATOM 1021 N ASN A 66 -7.129 -7.001 8.547 1.00 0.00 N ATOM 1022 CA ASN A 66 -7.237 -5.550 8.449 1.00 0.00 C ATOM 1023 C ASN A 66 -6.174 -4.866 9.302 1.00 0.00 C ATOM 1024 O ASN A 66 -6.050 -5.140 10.497 1.00 0.00 O ATOM 1025 CB ASN A 66 -8.630 -5.091 8.885 1.00 0.00 C ATOM 1026 CG ASN A 66 -9.128 -5.838 10.108 1.00 0.00 C ATOM 1027 OD1 ASN A 66 -8.391 -6.031 11.074 1.00 0.00 O ATOM 1028 ND2 ASN A 66 -10.386 -6.263 10.070 1.00 0.00 N ATOM 0 H ASN A 66 -6.707 -7.335 9.413 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.078 -5.269 7.408 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.607 -4.023 9.099 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.331 -5.236 8.063 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.777 -6.772 10.863 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.961 -6.080 9.248 1.00 0.00 H new ATOM 1035 N LEU A 67 -5.408 -3.975 8.682 1.00 0.00 N ATOM 1036 CA LEU A 67 -4.355 -3.251 9.384 1.00 0.00 C ATOM 1037 C LEU A 67 -4.767 -1.805 9.642 1.00 0.00 C ATOM 1038 O LEU A 67 -4.716 -0.965 8.743 1.00 0.00 O ATOM 1039 CB LEU A 67 -3.057 -3.286 8.575 1.00 0.00 C ATOM 1040 CG LEU A 67 -1.904 -2.441 9.118 1.00 0.00 C ATOM 1041 CD1 LEU A 67 -1.231 -3.144 10.287 1.00 0.00 C ATOM 1042 CD2 LEU A 67 -0.895 -2.147 8.018 1.00 0.00 C ATOM 0 H LEU A 67 -5.497 -3.737 7.694 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.191 -3.740 10.344 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.722 -4.321 8.508 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.276 -2.956 7.560 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.309 -1.494 9.475 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.413 -2.528 10.660 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.958 -3.303 11.083 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.839 -4.106 9.956 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.081 -1.545 8.422 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.495 -3.084 7.631 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.385 -1.601 7.212 1.00 0.00 H new ATOM 1054 N ASP A 68 -5.173 -1.522 10.875 1.00 0.00 N ATOM 1055 CA ASP A 68 -5.590 -0.176 11.252 1.00 0.00 C ATOM 1056 C ASP A 68 -4.403 0.781 11.254 1.00 0.00 C ATOM 1057 O ASP A 68 -3.631 0.826 12.211 1.00 0.00 O ATOM 1058 CB ASP A 68 -6.250 -0.193 12.632 1.00 0.00 C ATOM 1059 CG ASP A 68 -5.617 -1.206 13.565 1.00 0.00 C ATOM 1060 OD1 ASP A 68 -4.455 -0.995 13.971 1.00 0.00 O ATOM 1061 OD2 ASP A 68 -6.284 -2.211 13.889 1.00 0.00 O ATOM 0 H ASP A 68 -5.222 -2.206 11.630 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.313 0.174 10.515 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.180 0.800 13.077 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.311 -0.419 12.521 1.00 0.00 H new ATOM 1066 N ALA A 69 -4.263 1.544 10.175 1.00 0.00 N ATOM 1067 CA ALA A 69 -3.170 2.501 10.052 1.00 0.00 C ATOM 1068 C ALA A 69 -3.068 3.379 11.295 1.00 0.00 C ATOM 1069 O ALA A 69 -1.977 3.797 11.685 1.00 0.00 O ATOM 1070 CB ALA A 69 -3.358 3.360 8.811 1.00 0.00 C ATOM 0 H ALA A 69 -4.893 1.518 9.373 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.239 1.942 9.956 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.535 4.070 8.732 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.374 2.723 7.927 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.300 3.903 8.884 1.00 0.00 H new ATOM 1076 N LYS A 70 -4.210 3.657 11.913 1.00 0.00 N ATOM 1077 CA LYS A 70 -4.250 4.485 13.113 1.00 0.00 C ATOM 1078 C LYS A 70 -3.626 5.852 12.851 1.00 0.00 C ATOM 1079 O LYS A 70 -3.035 6.457 13.745 1.00 0.00 O ATOM 1080 CB LYS A 70 -3.517 3.790 14.262 1.00 0.00 C ATOM 1081 CG LYS A 70 -4.301 2.646 14.880 1.00 0.00 C ATOM 1082 CD LYS A 70 -3.514 1.964 15.988 1.00 0.00 C ATOM 1083 CE LYS A 70 -4.246 0.742 16.520 1.00 0.00 C ATOM 1084 NZ LYS A 70 -3.302 -0.297 17.018 1.00 0.00 N ATOM 0 H LYS A 70 -5.122 3.321 11.603 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.294 4.628 13.391 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.563 3.410 13.896 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.292 4.525 15.035 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.242 3.023 15.280 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.552 1.917 14.109 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.535 1.668 15.611 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.342 2.669 16.801 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.915 1.042 17.327 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.868 0.319 15.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.840 -1.114 17.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.680 -0.602 16.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.726 0.098 17.788 1.00 0.00 H new ATOM 1098 N VAL A 71 -3.763 6.334 11.619 1.00 0.00 N ATOM 1099 CA VAL A 71 -3.215 7.631 11.241 1.00 0.00 C ATOM 1100 C VAL A 71 -3.823 8.123 9.932 1.00 0.00 C ATOM 1101 O VAL A 71 -3.517 7.622 8.850 1.00 0.00 O ATOM 1102 CB VAL A 71 -1.683 7.571 11.093 1.00 0.00 C ATOM 1103 CG1 VAL A 71 -1.261 6.270 10.429 1.00 0.00 C ATOM 1104 CG2 VAL A 71 -1.178 8.770 10.304 1.00 0.00 C ATOM 0 H VAL A 71 -4.249 5.846 10.867 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.468 8.328 12.040 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.237 7.604 12.087 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.176 6.246 10.333 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.590 5.428 11.037 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.714 6.203 9.440 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.094 8.712 10.209 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.630 8.769 9.312 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.448 9.688 10.825 1.00 0.00 H new ATOM 1114 N PRO A 72 -4.704 9.129 10.030 1.00 0.00 N ATOM 1115 CA PRO A 72 -5.372 9.713 8.863 1.00 0.00 C ATOM 1116 C PRO A 72 -4.414 10.508 7.983 1.00 0.00 C ATOM 1117 O PRO A 72 -4.740 10.856 6.848 1.00 0.00 O ATOM 1118 CB PRO A 72 -6.423 10.639 9.482 1.00 0.00 C ATOM 1119 CG PRO A 72 -5.877 10.986 10.825 1.00 0.00 C ATOM 1120 CD PRO A 72 -5.115 9.776 11.288 1.00 0.00 C ATOM 0 HA PRO A 72 -5.790 8.948 8.208 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.573 11.531 8.873 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.390 10.142 9.564 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.226 11.859 10.768 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.679 11.232 11.521 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.255 10.052 11.898 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.737 9.117 11.894 1.00 0.00 H new ATOM 1128 N THR A 73 -3.228 10.793 8.514 1.00 0.00 N ATOM 1129 CA THR A 73 -2.223 11.547 7.777 1.00 0.00 C ATOM 1130 C THR A 73 -1.158 10.623 7.196 1.00 0.00 C ATOM 1131 O THR A 73 0.024 10.964 7.169 1.00 0.00 O ATOM 1132 CB THR A 73 -1.541 12.598 8.673 1.00 0.00 C ATOM 1133 OG1 THR A 73 -0.583 11.965 9.529 1.00 0.00 O ATOM 1134 CG2 THR A 73 -2.568 13.340 9.515 1.00 0.00 C ATOM 0 H THR A 73 -2.941 10.512 9.452 1.00 0.00 H new ATOM 0 HA THR A 73 -2.742 12.055 6.964 1.00 0.00 H new ATOM 0 HB THR A 73 -1.034 13.317 8.030 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.168 11.636 8.992 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.063 14.077 10.139 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.279 13.845 8.861 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.100 12.631 10.149 1.00 0.00 H new ATOM 1142 N GLU A 74 -1.586 9.453 6.733 1.00 0.00 N ATOM 1143 CA GLU A 74 -0.668 8.481 6.152 1.00 0.00 C ATOM 1144 C GLU A 74 -1.324 7.737 4.992 1.00 0.00 C ATOM 1145 O GLU A 74 -2.376 7.119 5.153 1.00 0.00 O ATOM 1146 CB GLU A 74 -0.207 7.482 7.217 1.00 0.00 C ATOM 1147 CG GLU A 74 1.052 7.912 7.950 1.00 0.00 C ATOM 1148 CD GLU A 74 2.318 7.527 7.210 1.00 0.00 C ATOM 1149 OE1 GLU A 74 2.419 7.839 6.005 1.00 0.00 O ATOM 1150 OE2 GLU A 74 3.208 6.912 7.834 1.00 0.00 O ATOM 0 H GLU A 74 -2.562 9.156 6.749 1.00 0.00 H new ATOM 0 HA GLU A 74 0.198 9.021 5.770 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.009 7.340 7.942 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.030 6.516 6.745 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.034 8.992 8.093 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.063 7.459 8.941 1.00 0.00 H new ATOM 1157 N ARG A 75 -0.695 7.804 3.823 1.00 0.00 N ATOM 1158 CA ARG A 75 -1.218 7.140 2.635 1.00 0.00 C ATOM 1159 C ARG A 75 -0.319 5.978 2.223 1.00 0.00 C ATOM 1160 O ARG A 75 -0.200 5.662 1.039 1.00 0.00 O ATOM 1161 CB ARG A 75 -1.344 8.136 1.482 1.00 0.00 C ATOM 1162 CG ARG A 75 -2.214 9.339 1.808 1.00 0.00 C ATOM 1163 CD ARG A 75 -3.679 8.950 1.929 1.00 0.00 C ATOM 1164 NE ARG A 75 -3.984 8.364 3.231 1.00 0.00 N ATOM 1165 CZ ARG A 75 -4.176 9.081 4.333 1.00 0.00 C ATOM 1166 NH1 ARG A 75 -4.095 10.404 4.290 1.00 0.00 N ATOM 1167 NH2 ARG A 75 -4.449 8.475 5.481 1.00 0.00 N ATOM 0 H ARG A 75 0.177 8.311 3.673 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.206 6.746 2.874 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.349 8.483 1.203 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.758 7.623 0.614 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.878 9.790 2.742 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.100 10.094 1.030 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.302 9.831 1.773 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.931 8.238 1.143 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.053 7.349 3.298 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.885 10.874 3.409 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.243 10.952 5.138 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.512 7.458 5.518 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.596 9.026 6.326 1.00 0.00 H new ATOM 1181 N SER A 76 0.312 5.345 3.207 1.00 0.00 N ATOM 1182 CA SER A 76 1.203 4.221 2.946 1.00 0.00 C ATOM 1183 C SER A 76 1.355 3.348 4.188 1.00 0.00 C ATOM 1184 O SER A 76 1.939 3.767 5.186 1.00 0.00 O ATOM 1185 CB SER A 76 2.575 4.725 2.492 1.00 0.00 C ATOM 1186 OG SER A 76 3.153 5.576 3.467 1.00 0.00 O ATOM 0 H SER A 76 0.222 5.592 4.193 1.00 0.00 H new ATOM 0 HA SER A 76 0.764 3.618 2.151 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.235 3.877 2.307 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.475 5.262 1.549 1.00 0.00 H new ATOM 0 HG SER A 76 3.055 5.171 4.354 1.00 0.00 H new ATOM 1192 N ALA A 77 0.823 2.132 4.116 1.00 0.00 N ATOM 1193 CA ALA A 77 0.900 1.198 5.233 1.00 0.00 C ATOM 1194 C ALA A 77 1.951 0.123 4.978 1.00 0.00 C ATOM 1195 O ALA A 77 2.331 -0.129 3.834 1.00 0.00 O ATOM 1196 CB ALA A 77 -0.459 0.562 5.484 1.00 0.00 C ATOM 0 H ALA A 77 0.334 1.771 3.297 1.00 0.00 H new ATOM 0 HA ALA A 77 1.197 1.756 6.121 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.387 -0.133 6.321 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.186 1.339 5.720 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.779 0.024 4.592 1.00 0.00 H new ATOM 1202 N VAL A 78 2.417 -0.509 6.050 1.00 0.00 N ATOM 1203 CA VAL A 78 3.424 -1.558 5.942 1.00 0.00 C ATOM 1204 C VAL A 78 2.919 -2.868 6.538 1.00 0.00 C ATOM 1205 O VAL A 78 2.699 -2.969 7.745 1.00 0.00 O ATOM 1206 CB VAL A 78 4.732 -1.156 6.649 1.00 0.00 C ATOM 1207 CG1 VAL A 78 5.750 -2.283 6.570 1.00 0.00 C ATOM 1208 CG2 VAL A 78 5.293 0.122 6.044 1.00 0.00 C ATOM 0 H VAL A 78 2.113 -0.313 7.004 1.00 0.00 H new ATOM 0 HA VAL A 78 3.622 -1.698 4.879 1.00 0.00 H new ATOM 0 HB VAL A 78 4.513 -0.969 7.700 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.667 -1.981 7.075 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.346 -3.173 7.053 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.967 -2.505 5.525 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.217 0.392 6.555 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.497 -0.036 4.985 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.567 0.927 6.158 1.00 0.00 H new ATOM 1218 N LEU A 79 2.739 -3.869 5.684 1.00 0.00 N ATOM 1219 CA LEU A 79 2.261 -5.174 6.125 1.00 0.00 C ATOM 1220 C LEU A 79 3.419 -6.154 6.282 1.00 0.00 C ATOM 1221 O LEU A 79 3.986 -6.625 5.296 1.00 0.00 O ATOM 1222 CB LEU A 79 1.240 -5.729 5.130 1.00 0.00 C ATOM 1223 CG LEU A 79 0.094 -4.790 4.751 1.00 0.00 C ATOM 1224 CD1 LEU A 79 -0.615 -5.290 3.502 1.00 0.00 C ATOM 1225 CD2 LEU A 79 -0.888 -4.653 5.905 1.00 0.00 C ATOM 0 H LEU A 79 2.917 -3.802 4.682 1.00 0.00 H new ATOM 0 HA LEU A 79 1.782 -5.048 7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.767 -6.013 4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.813 -6.641 5.548 1.00 0.00 H new ATOM 0 HG LEU A 79 0.512 -3.806 4.538 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.427 -4.609 3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.093 -5.335 2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.020 -6.285 3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.697 -3.981 5.617 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.300 -5.632 6.151 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.372 -4.248 6.775 1.00 0.00 H new ATOM 1237 N VAL A 80 3.765 -6.459 7.529 1.00 0.00 N ATOM 1238 CA VAL A 80 4.853 -7.386 7.815 1.00 0.00 C ATOM 1239 C VAL A 80 4.318 -8.762 8.196 1.00 0.00 C ATOM 1240 O VAL A 80 3.112 -8.949 8.351 1.00 0.00 O ATOM 1241 CB VAL A 80 5.750 -6.864 8.954 1.00 0.00 C ATOM 1242 CG1 VAL A 80 6.398 -5.545 8.561 1.00 0.00 C ATOM 1243 CG2 VAL A 80 4.947 -6.711 10.237 1.00 0.00 C ATOM 0 H VAL A 80 3.307 -6.077 8.357 1.00 0.00 H new ATOM 0 HA VAL A 80 5.445 -7.469 6.904 1.00 0.00 H new ATOM 0 HB VAL A 80 6.542 -7.592 9.132 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.028 -5.191 9.377 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.008 -5.691 7.669 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.623 -4.806 8.354 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.596 -6.341 11.031 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.133 -6.004 10.075 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.535 -7.678 10.526 1.00 0.00 H new ATOM 1253 N ASN A 81 5.224 -9.723 8.344 1.00 0.00 N ATOM 1254 CA ASN A 81 4.842 -11.084 8.706 1.00 0.00 C ATOM 1255 C ASN A 81 4.079 -11.756 7.569 1.00 0.00 C ATOM 1256 O ASN A 81 3.021 -12.349 7.782 1.00 0.00 O ATOM 1257 CB ASN A 81 3.987 -11.075 9.974 1.00 0.00 C ATOM 1258 CG ASN A 81 4.619 -10.270 11.093 1.00 0.00 C ATOM 1259 OD1 ASN A 81 5.766 -9.835 10.988 1.00 0.00 O ATOM 1260 ND2 ASN A 81 3.871 -10.067 12.171 1.00 0.00 N ATOM 0 H ASN A 81 6.227 -9.585 8.219 1.00 0.00 H new ATOM 0 HA ASN A 81 5.753 -11.653 8.894 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.005 -10.662 9.743 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.831 -12.100 10.311 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.242 -9.532 12.956 1.00 0.00 H new ATOM 0 HD22 ASN A 81 2.925 -10.447 12.214 1.00 0.00 H new ATOM 1267 N LEU A 82 4.623 -11.659 6.361 1.00 0.00 N ATOM 1268 CA LEU A 82 3.995 -12.258 5.188 1.00 0.00 C ATOM 1269 C LEU A 82 4.786 -13.469 4.705 1.00 0.00 C ATOM 1270 O LEU A 82 5.949 -13.649 5.067 1.00 0.00 O ATOM 1271 CB LEU A 82 3.880 -11.228 4.064 1.00 0.00 C ATOM 1272 CG LEU A 82 3.118 -9.946 4.403 1.00 0.00 C ATOM 1273 CD1 LEU A 82 3.222 -8.946 3.262 1.00 0.00 C ATOM 1274 CD2 LEU A 82 1.660 -10.258 4.710 1.00 0.00 C ATOM 0 H LEU A 82 5.498 -11.171 6.168 1.00 0.00 H new ATOM 0 HA LEU A 82 2.996 -12.590 5.471 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.886 -10.955 3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.392 -11.702 3.212 1.00 0.00 H new ATOM 0 HG LEU A 82 3.569 -9.502 5.290 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.674 -8.040 3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.269 -8.699 3.089 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.797 -9.381 2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.133 -9.334 4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.197 -10.725 3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.605 -10.938 5.560 1.00 0.00 H new ATOM 1286 N LYS A 83 4.149 -14.297 3.884 1.00 0.00 N ATOM 1287 CA LYS A 83 4.794 -15.489 3.347 1.00 0.00 C ATOM 1288 C LYS A 83 5.671 -15.141 2.149 1.00 0.00 C ATOM 1289 O LYS A 83 5.447 -14.137 1.473 1.00 0.00 O ATOM 1290 CB LYS A 83 3.741 -16.523 2.939 1.00 0.00 C ATOM 1291 CG LYS A 83 3.265 -17.393 4.089 1.00 0.00 C ATOM 1292 CD LYS A 83 4.200 -18.567 4.324 1.00 0.00 C ATOM 1293 CE LYS A 83 3.783 -19.783 3.511 1.00 0.00 C ATOM 1294 NZ LYS A 83 4.925 -20.708 3.270 1.00 0.00 N ATOM 0 H LYS A 83 3.186 -14.164 3.576 1.00 0.00 H new ATOM 0 HA LYS A 83 5.427 -15.912 4.127 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.884 -16.006 2.507 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.154 -17.162 2.158 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.198 -16.793 4.997 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.262 -17.763 3.876 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.218 -18.282 4.058 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.207 -18.822 5.384 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.989 -20.315 4.035 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.372 -19.457 2.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.600 -21.524 2.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.672 -20.208 2.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.302 -21.039 4.181 1.00 0.00 H new ATOM 1308 N LYS A 84 6.670 -15.978 1.889 1.00 0.00 N ATOM 1309 CA LYS A 84 7.580 -15.761 0.771 1.00 0.00 C ATOM 1310 C LYS A 84 7.224 -16.667 -0.404 1.00 0.00 C ATOM 1311 O LYS A 84 7.152 -17.887 -0.260 1.00 0.00 O ATOM 1312 CB LYS A 84 9.025 -16.016 1.206 1.00 0.00 C ATOM 1313 CG LYS A 84 9.488 -15.112 2.335 1.00 0.00 C ATOM 1314 CD LYS A 84 9.262 -15.755 3.693 1.00 0.00 C ATOM 1315 CE LYS A 84 10.471 -16.566 4.133 1.00 0.00 C ATOM 1316 NZ LYS A 84 10.382 -17.983 3.685 1.00 0.00 N ATOM 0 H LYS A 84 6.870 -16.814 2.438 1.00 0.00 H new ATOM 0 HA LYS A 84 7.481 -14.724 0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.123 -17.055 1.520 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.684 -15.879 0.348 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.547 -14.886 2.210 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.952 -14.164 2.287 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.052 -14.982 4.432 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.385 -16.401 3.650 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.377 -16.114 3.730 1.00 0.00 H new ATOM 0 HE3 LYS A 84 10.554 -16.533 5.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 11.028 -18.568 4.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.407 -18.325 3.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 10.649 -18.047 2.682 1.00 0.00 H new ATOM 1330 N GLY A 85 7.004 -16.061 -1.567 1.00 0.00 N ATOM 1331 CA GLY A 85 6.660 -16.829 -2.749 1.00 0.00 C ATOM 1332 C GLY A 85 5.176 -17.126 -2.836 1.00 0.00 C ATOM 1333 O GLY A 85 4.777 -18.249 -3.145 1.00 0.00 O ATOM 0 H GLY A 85 7.058 -15.053 -1.711 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.970 -16.280 -3.638 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.215 -17.767 -2.743 1.00 0.00 H new ATOM 1337 N VAL A 86 4.355 -16.118 -2.562 1.00 0.00 N ATOM 1338 CA VAL A 86 2.906 -16.276 -2.610 1.00 0.00 C ATOM 1339 C VAL A 86 2.214 -14.936 -2.828 1.00 0.00 C ATOM 1340 O VAL A 86 2.615 -13.917 -2.264 1.00 0.00 O ATOM 1341 CB VAL A 86 2.368 -16.915 -1.316 1.00 0.00 C ATOM 1342 CG1 VAL A 86 2.754 -16.077 -0.106 1.00 0.00 C ATOM 1343 CG2 VAL A 86 0.859 -17.088 -1.395 1.00 0.00 C ATOM 0 H VAL A 86 4.668 -15.182 -2.304 1.00 0.00 H new ATOM 0 HA VAL A 86 2.687 -16.935 -3.450 1.00 0.00 H new ATOM 0 HB VAL A 86 2.819 -17.901 -1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.365 -16.544 0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.840 -16.009 -0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.334 -15.076 -0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.496 -17.541 -0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.388 -16.115 -1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.610 -17.733 -2.238 1.00 0.00 H new ATOM 1353 N THR A 87 1.170 -14.942 -3.651 1.00 0.00 N ATOM 1354 CA THR A 87 0.421 -13.727 -3.945 1.00 0.00 C ATOM 1355 C THR A 87 -0.462 -13.327 -2.769 1.00 0.00 C ATOM 1356 O THR A 87 -0.858 -14.169 -1.962 1.00 0.00 O ATOM 1357 CB THR A 87 -0.459 -13.898 -5.198 1.00 0.00 C ATOM 1358 OG1 THR A 87 0.258 -14.620 -6.205 1.00 0.00 O ATOM 1359 CG2 THR A 87 -0.891 -12.546 -5.745 1.00 0.00 C ATOM 0 H THR A 87 0.824 -15.776 -4.126 1.00 0.00 H new ATOM 0 HA THR A 87 1.154 -12.942 -4.129 1.00 0.00 H new ATOM 0 HB THR A 87 -1.350 -14.458 -4.916 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.309 -14.726 -6.997 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.511 -12.693 -6.629 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.462 -12.012 -4.986 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.010 -11.963 -6.013 1.00 0.00 H new ATOM 1367 N TYR A 88 -0.769 -12.038 -2.677 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.605 -11.526 -1.597 1.00 0.00 C ATOM 1369 C TYR A 88 -2.549 -10.442 -2.106 1.00 0.00 C ATOM 1370 O TYR A 88 -2.118 -9.466 -2.720 1.00 0.00 O ATOM 1371 CB TYR A 88 -0.734 -10.971 -0.469 1.00 0.00 C ATOM 1372 CG TYR A 88 -0.404 -11.990 0.598 1.00 0.00 C ATOM 1373 CD1 TYR A 88 0.725 -12.794 0.494 1.00 0.00 C ATOM 1374 CD2 TYR A 88 -1.220 -12.148 1.712 1.00 0.00 C ATOM 1375 CE1 TYR A 88 1.030 -13.726 1.466 1.00 0.00 C ATOM 1376 CE2 TYR A 88 -0.922 -13.078 2.690 1.00 0.00 C ATOM 1377 CZ TYR A 88 0.204 -13.864 2.562 1.00 0.00 C ATOM 1378 OH TYR A 88 0.505 -14.791 3.534 1.00 0.00 O ATOM 0 H TYR A 88 -0.452 -11.328 -3.337 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.203 -12.352 -1.212 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.194 -10.588 -0.893 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.246 -10.127 -0.007 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.375 -12.688 -0.362 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.102 -11.533 1.815 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.911 -14.344 1.369 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.567 -13.189 3.549 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.272 -15.369 3.687 1.00 0.00 H new ATOM 1388 N GLU A 89 -3.841 -10.620 -1.845 1.00 0.00 N ATOM 1389 CA GLU A 89 -4.847 -9.657 -2.277 1.00 0.00 C ATOM 1390 C GLU A 89 -5.074 -8.591 -1.209 1.00 0.00 C ATOM 1391 O GLU A 89 -5.557 -8.887 -0.116 1.00 0.00 O ATOM 1392 CB GLU A 89 -6.164 -10.369 -2.592 1.00 0.00 C ATOM 1393 CG GLU A 89 -7.149 -9.511 -3.369 1.00 0.00 C ATOM 1394 CD GLU A 89 -8.498 -10.181 -3.540 1.00 0.00 C ATOM 1395 OE1 GLU A 89 -8.542 -11.429 -3.567 1.00 0.00 O ATOM 1396 OE2 GLU A 89 -9.510 -9.457 -3.646 1.00 0.00 O ATOM 0 H GLU A 89 -4.215 -11.422 -1.337 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.482 -9.169 -3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.951 -11.272 -3.164 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.629 -10.686 -1.658 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.283 -8.560 -2.853 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.733 -9.285 -4.351 1.00 0.00 H new ATOM 1403 N ILE A 90 -4.721 -7.352 -1.533 1.00 0.00 N ATOM 1404 CA ILE A 90 -4.886 -6.243 -0.602 1.00 0.00 C ATOM 1405 C ILE A 90 -5.665 -5.099 -1.243 1.00 0.00 C ATOM 1406 O ILE A 90 -5.524 -4.828 -2.436 1.00 0.00 O ATOM 1407 CB ILE A 90 -3.526 -5.712 -0.112 1.00 0.00 C ATOM 1408 CG1 ILE A 90 -2.711 -6.842 0.520 1.00 0.00 C ATOM 1409 CG2 ILE A 90 -3.728 -4.578 0.882 1.00 0.00 C ATOM 1410 CD1 ILE A 90 -1.818 -7.566 -0.464 1.00 0.00 C ATOM 0 H ILE A 90 -4.319 -7.091 -2.433 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.445 -6.627 0.251 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.973 -5.325 -0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.097 -6.432 1.322 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.393 -7.560 0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.758 -4.213 1.220 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.274 -3.766 0.402 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.297 -4.941 1.738 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.270 -8.354 0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.428 -8.006 -1.253 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.112 -6.860 -0.902 1.00 0.00 H new ATOM 1422 N LYS A 91 -6.486 -4.428 -0.443 1.00 0.00 N ATOM 1423 CA LYS A 91 -7.286 -3.310 -0.929 1.00 0.00 C ATOM 1424 C LYS A 91 -7.396 -2.218 0.130 1.00 0.00 C ATOM 1425 O LYS A 91 -7.530 -2.504 1.320 1.00 0.00 O ATOM 1426 CB LYS A 91 -8.683 -3.791 -1.328 1.00 0.00 C ATOM 1427 CG LYS A 91 -9.606 -4.027 -0.145 1.00 0.00 C ATOM 1428 CD LYS A 91 -9.330 -5.365 0.520 1.00 0.00 C ATOM 1429 CE LYS A 91 -9.831 -6.523 -0.329 1.00 0.00 C ATOM 1430 NZ LYS A 91 -11.240 -6.880 -0.005 1.00 0.00 N ATOM 0 H LYS A 91 -6.615 -4.639 0.546 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.788 -2.893 -1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.136 -3.054 -1.990 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.591 -4.716 -1.897 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.479 -3.225 0.582 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.643 -3.993 -0.479 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.259 -5.474 0.690 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.812 -5.393 1.497 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.757 -6.259 -1.384 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.191 -7.391 -0.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.544 -7.673 -0.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.307 -7.157 0.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.855 -6.059 -0.179 1.00 0.00 H new ATOM 1444 N VAL A 92 -7.339 -0.965 -0.310 1.00 0.00 N ATOM 1445 CA VAL A 92 -7.435 0.170 0.600 1.00 0.00 C ATOM 1446 C VAL A 92 -8.862 0.704 0.664 1.00 0.00 C ATOM 1447 O VAL A 92 -9.596 0.661 -0.323 1.00 0.00 O ATOM 1448 CB VAL A 92 -6.490 1.310 0.176 1.00 0.00 C ATOM 1449 CG1 VAL A 92 -6.663 2.514 1.090 1.00 0.00 C ATOM 1450 CG2 VAL A 92 -5.046 0.832 0.177 1.00 0.00 C ATOM 0 H VAL A 92 -7.227 -0.710 -1.291 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.140 -0.189 1.586 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.747 1.614 -0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.988 3.310 0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.692 2.869 1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.433 2.228 2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.392 1.650 -0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.773 0.500 1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.937 0.003 -0.522 1.00 0.00 H new ATOM 1460 N ARG A 93 -9.247 1.208 1.831 1.00 0.00 N ATOM 1461 CA ARG A 93 -10.586 1.751 2.024 1.00 0.00 C ATOM 1462 C ARG A 93 -10.652 2.599 3.291 1.00 0.00 C ATOM 1463 O ARG A 93 -10.266 2.167 4.378 1.00 0.00 O ATOM 1464 CB ARG A 93 -11.612 0.619 2.102 1.00 0.00 C ATOM 1465 CG ARG A 93 -11.567 -0.155 3.410 1.00 0.00 C ATOM 1466 CD ARG A 93 -12.645 -1.226 3.461 1.00 0.00 C ATOM 1467 NE ARG A 93 -12.200 -2.479 2.858 1.00 0.00 N ATOM 1468 CZ ARG A 93 -13.029 -3.394 2.367 1.00 0.00 C ATOM 1469 NH1 ARG A 93 -14.339 -3.196 2.408 1.00 0.00 N ATOM 1470 NH2 ARG A 93 -12.547 -4.510 1.834 1.00 0.00 N ATOM 0 H ARG A 93 -8.651 1.252 2.657 1.00 0.00 H new ATOM 0 HA ARG A 93 -10.819 2.386 1.170 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.611 1.035 1.970 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -11.443 -0.071 1.275 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -10.587 -0.618 3.527 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.696 0.533 4.246 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -12.931 -1.404 4.498 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -13.535 -0.870 2.942 1.00 0.00 H new ATOM 0 HE ARG A 93 -11.198 -2.662 2.811 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -14.713 -2.340 2.817 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -14.973 -3.900 2.030 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -11.539 -4.666 1.801 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -13.184 -5.212 1.457 1.00 0.00 H new ATOM 1484 N PRO A 94 -11.151 3.836 3.150 1.00 0.00 N ATOM 1485 CA PRO A 94 -11.279 4.771 4.272 1.00 0.00 C ATOM 1486 C PRO A 94 -12.356 4.343 5.264 1.00 0.00 C ATOM 1487 O PRO A 94 -13.208 3.511 4.949 1.00 0.00 O ATOM 1488 CB PRO A 94 -11.669 6.087 3.595 1.00 0.00 C ATOM 1489 CG PRO A 94 -12.324 5.678 2.321 1.00 0.00 C ATOM 1490 CD PRO A 94 -11.631 4.417 1.885 1.00 0.00 C ATOM 0 HA PRO A 94 -10.362 4.832 4.857 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.347 6.668 4.220 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.795 6.710 3.408 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.390 5.506 2.468 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -12.228 6.457 1.565 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.313 3.743 1.366 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -10.808 4.627 1.201 1.00 0.00 H new ATOM 1498 N TYR A 95 -12.313 4.916 6.461 1.00 0.00 N ATOM 1499 CA TYR A 95 -13.284 4.592 7.499 1.00 0.00 C ATOM 1500 C TYR A 95 -13.330 5.685 8.563 1.00 0.00 C ATOM 1501 O TYR A 95 -12.334 6.363 8.816 1.00 0.00 O ATOM 1502 CB TYR A 95 -12.941 3.249 8.147 1.00 0.00 C ATOM 1503 CG TYR A 95 -11.889 3.349 9.228 1.00 0.00 C ATOM 1504 CD1 TYR A 95 -12.192 3.893 10.470 1.00 0.00 C ATOM 1505 CD2 TYR A 95 -10.593 2.901 9.008 1.00 0.00 C ATOM 1506 CE1 TYR A 95 -11.234 3.988 11.461 1.00 0.00 C ATOM 1507 CE2 TYR A 95 -9.629 2.990 9.993 1.00 0.00 C ATOM 1508 CZ TYR A 95 -9.954 3.534 11.218 1.00 0.00 C ATOM 1509 OH TYR A 95 -8.997 3.626 12.202 1.00 0.00 O ATOM 0 H TYR A 95 -11.616 5.608 6.737 1.00 0.00 H new ATOM 0 HA TYR A 95 -14.267 4.523 7.032 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -13.847 2.819 8.573 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -12.593 2.561 7.376 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.193 4.248 10.664 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.334 2.475 8.050 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -11.486 4.415 12.420 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -8.626 2.636 9.805 1.00 0.00 H new ATOM 0 HH TYR A 95 -8.832 4.569 12.411 1.00 0.00 H new ATOM 1519 N PHE A 96 -14.494 5.850 9.183 1.00 0.00 N ATOM 1520 CA PHE A 96 -14.671 6.860 10.219 1.00 0.00 C ATOM 1521 C PHE A 96 -14.722 6.217 11.602 1.00 0.00 C ATOM 1522 O PHE A 96 -13.947 6.569 12.490 1.00 0.00 O ATOM 1523 CB PHE A 96 -15.952 7.658 9.968 1.00 0.00 C ATOM 1524 CG PHE A 96 -16.178 8.759 10.965 1.00 0.00 C ATOM 1525 CD1 PHE A 96 -15.275 9.804 11.079 1.00 0.00 C ATOM 1526 CD2 PHE A 96 -17.292 8.748 11.789 1.00 0.00 C ATOM 1527 CE1 PHE A 96 -15.480 10.819 11.995 1.00 0.00 C ATOM 1528 CE2 PHE A 96 -17.502 9.760 12.707 1.00 0.00 C ATOM 1529 CZ PHE A 96 -16.594 10.796 12.811 1.00 0.00 C ATOM 0 H PHE A 96 -15.328 5.297 8.986 1.00 0.00 H new ATOM 0 HA PHE A 96 -13.817 7.536 10.183 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -15.913 8.088 8.967 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.804 6.978 9.990 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.401 9.826 10.445 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -18.004 7.940 11.713 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.770 11.629 12.072 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -18.375 9.741 13.342 1.00 0.00 H new ATOM 0 HZ PHE A 96 -16.755 11.586 13.529 1.00 0.00 H new ATOM 1539 N ASN A 97 -15.641 5.273 11.776 1.00 0.00 N ATOM 1540 CA ASN A 97 -15.794 4.581 13.051 1.00 0.00 C ATOM 1541 C ASN A 97 -15.888 3.073 12.843 1.00 0.00 C ATOM 1542 O ASN A 97 -15.022 2.321 13.287 1.00 0.00 O ATOM 1543 CB ASN A 97 -17.040 5.086 13.782 1.00 0.00 C ATOM 1544 CG ASN A 97 -16.770 6.342 14.586 1.00 0.00 C ATOM 1545 OD1 ASN A 97 -15.730 6.983 14.427 1.00 0.00 O ATOM 1546 ND2 ASN A 97 -17.707 6.701 15.456 1.00 0.00 N ATOM 0 H ASN A 97 -16.291 4.970 11.051 1.00 0.00 H new ATOM 0 HA ASN A 97 -14.914 4.791 13.659 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -17.828 5.285 13.056 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.409 4.305 14.447 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -17.581 7.538 16.025 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -18.553 6.140 15.555 1.00 0.00 H new ATOM 1553 N GLU A 98 -16.946 2.639 12.165 1.00 0.00 N ATOM 1554 CA GLU A 98 -17.153 1.220 11.899 1.00 0.00 C ATOM 1555 C GLU A 98 -17.270 0.959 10.400 1.00 0.00 C ATOM 1556 O GLU A 98 -16.716 -0.011 9.882 1.00 0.00 O ATOM 1557 CB GLU A 98 -18.411 0.723 12.614 1.00 0.00 C ATOM 1558 CG GLU A 98 -19.681 1.436 12.180 1.00 0.00 C ATOM 1559 CD GLU A 98 -20.895 1.001 12.976 1.00 0.00 C ATOM 1560 OE1 GLU A 98 -21.148 1.594 14.046 1.00 0.00 O ATOM 1561 OE2 GLU A 98 -21.594 0.067 12.530 1.00 0.00 O ATOM 0 H GLU A 98 -17.672 3.249 11.790 1.00 0.00 H new ATOM 0 HA GLU A 98 -16.289 0.675 12.279 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -18.524 -0.346 12.431 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -18.282 0.851 13.689 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -19.545 2.512 12.291 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -19.857 1.244 11.122 1.00 0.00 H new ATOM 1568 N PHE A 99 -17.996 1.831 9.709 1.00 0.00 N ATOM 1569 CA PHE A 99 -18.188 1.695 8.269 1.00 0.00 C ATOM 1570 C PHE A 99 -16.889 1.970 7.519 1.00 0.00 C ATOM 1571 O PHE A 99 -15.945 2.530 8.076 1.00 0.00 O ATOM 1572 CB PHE A 99 -19.281 2.651 7.787 1.00 0.00 C ATOM 1573 CG PHE A 99 -19.217 4.008 8.427 1.00 0.00 C ATOM 1574 CD1 PHE A 99 -19.851 4.249 9.636 1.00 0.00 C ATOM 1575 CD2 PHE A 99 -18.523 5.043 7.821 1.00 0.00 C ATOM 1576 CE1 PHE A 99 -19.793 5.496 10.228 1.00 0.00 C ATOM 1577 CE2 PHE A 99 -18.462 6.292 8.409 1.00 0.00 C ATOM 1578 CZ PHE A 99 -19.099 6.519 9.614 1.00 0.00 C ATOM 0 H PHE A 99 -18.461 2.639 10.122 1.00 0.00 H new ATOM 0 HA PHE A 99 -18.495 0.670 8.063 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -19.202 2.764 6.706 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -20.256 2.208 7.991 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -20.397 3.453 10.121 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -18.024 4.872 6.879 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -20.290 5.670 11.171 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -17.917 7.090 7.927 1.00 0.00 H new ATOM 0 HZ PHE A 99 -19.054 7.495 10.074 1.00 0.00 H new ATOM 1588 N GLN A 100 -16.848 1.572 6.252 1.00 0.00 N ATOM 1589 CA GLN A 100 -15.664 1.774 5.425 1.00 0.00 C ATOM 1590 C GLN A 100 -16.052 2.222 4.020 1.00 0.00 C ATOM 1591 O GLN A 100 -16.836 1.561 3.340 1.00 0.00 O ATOM 1592 CB GLN A 100 -14.840 0.487 5.354 1.00 0.00 C ATOM 1593 CG GLN A 100 -15.628 -0.713 4.852 1.00 0.00 C ATOM 1594 CD GLN A 100 -15.108 -2.025 5.406 1.00 0.00 C ATOM 1595 OE1 GLN A 100 -14.286 -2.043 6.323 1.00 0.00 O ATOM 1596 NE2 GLN A 100 -15.587 -3.132 4.852 1.00 0.00 N ATOM 0 H GLN A 100 -17.621 1.108 5.775 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.061 2.558 5.883 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -13.984 0.649 4.699 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -14.445 0.263 6.345 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -16.676 -0.596 5.128 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -15.586 -0.741 3.763 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -16.267 -3.070 4.094 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -15.275 -4.045 5.184 1.00 0.00 H new ATOM 1605 N GLY A 101 -15.496 3.351 3.589 1.00 0.00 N ATOM 1606 CA GLY A 101 -15.796 3.869 2.267 1.00 0.00 C ATOM 1607 C GLY A 101 -15.549 2.847 1.175 1.00 0.00 C ATOM 1608 O GLY A 101 -15.090 1.738 1.446 1.00 0.00 O ATOM 0 H GLY A 101 -14.843 3.916 4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -16.838 4.188 2.233 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -15.186 4.752 2.079 1.00 0.00 H new ATOM 1612 N MET A 102 -15.856 3.221 -0.063 1.00 0.00 N ATOM 1613 CA MET A 102 -15.665 2.328 -1.200 1.00 0.00 C ATOM 1614 C MET A 102 -14.304 1.643 -1.131 1.00 0.00 C ATOM 1615 O MET A 102 -13.274 2.302 -0.987 1.00 0.00 O ATOM 1616 CB MET A 102 -15.792 3.104 -2.512 1.00 0.00 C ATOM 1617 CG MET A 102 -17.217 3.185 -3.035 1.00 0.00 C ATOM 1618 SD MET A 102 -17.291 3.566 -4.796 1.00 0.00 S ATOM 1619 CE MET A 102 -16.330 5.076 -4.856 1.00 0.00 C ATOM 0 H MET A 102 -16.238 4.136 -0.304 1.00 0.00 H new ATOM 0 HA MET A 102 -16.440 1.562 -1.162 1.00 0.00 H new ATOM 0 HB2 MET A 102 -15.410 4.114 -2.366 1.00 0.00 H new ATOM 0 HB3 MET A 102 -15.163 2.631 -3.266 1.00 0.00 H new ATOM 0 HG2 MET A 102 -17.722 2.237 -2.851 1.00 0.00 H new ATOM 0 HG3 MET A 102 -17.761 3.949 -2.479 1.00 0.00 H new ATOM 0 HE1 MET A 102 -16.869 5.828 -5.432 1.00 0.00 H new ATOM 0 HE2 MET A 102 -16.166 5.444 -3.843 1.00 0.00 H new ATOM 0 HE3 MET A 102 -15.369 4.877 -5.329 1.00 0.00 H new ATOM 1629 N ASP A 103 -14.307 0.319 -1.233 1.00 0.00 N ATOM 1630 CA ASP A 103 -13.072 -0.455 -1.183 1.00 0.00 C ATOM 1631 C ASP A 103 -12.341 -0.400 -2.521 1.00 0.00 C ATOM 1632 O ASP A 103 -12.843 -0.887 -3.534 1.00 0.00 O ATOM 1633 CB ASP A 103 -13.370 -1.908 -0.810 1.00 0.00 C ATOM 1634 CG ASP A 103 -14.569 -2.462 -1.554 1.00 0.00 C ATOM 1635 OD1 ASP A 103 -14.601 -2.348 -2.798 1.00 0.00 O ATOM 1636 OD2 ASP A 103 -15.475 -3.011 -0.893 1.00 0.00 O ATOM 0 H ASP A 103 -15.151 -0.241 -1.351 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.429 -0.017 -0.420 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -12.496 -2.522 -1.027 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -13.549 -1.975 0.263 1.00 0.00 H new ATOM 1641 N SER A 104 -11.153 0.197 -2.517 1.00 0.00 N ATOM 1642 CA SER A 104 -10.356 0.320 -3.731 1.00 0.00 C ATOM 1643 C SER A 104 -10.142 -1.044 -4.381 1.00 0.00 C ATOM 1644 O SER A 104 -10.075 -2.065 -3.698 1.00 0.00 O ATOM 1645 CB SER A 104 -9.005 0.965 -3.416 1.00 0.00 C ATOM 1646 OG SER A 104 -9.172 2.166 -2.683 1.00 0.00 O ATOM 0 H SER A 104 -10.722 0.603 -1.686 1.00 0.00 H new ATOM 0 HA SER A 104 -10.900 0.955 -4.430 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.391 0.269 -2.845 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.472 1.173 -4.344 1.00 0.00 H new ATOM 0 HG SER A 104 -9.271 1.957 -1.731 1.00 0.00 H new ATOM 1652 N GLU A 105 -10.035 -1.051 -5.706 1.00 0.00 N ATOM 1653 CA GLU A 105 -9.830 -2.289 -6.449 1.00 0.00 C ATOM 1654 C GLU A 105 -8.795 -3.172 -5.759 1.00 0.00 C ATOM 1655 O GLU A 105 -7.759 -2.691 -5.301 1.00 0.00 O ATOM 1656 CB GLU A 105 -9.382 -1.983 -7.880 1.00 0.00 C ATOM 1657 CG GLU A 105 -10.356 -1.105 -8.648 1.00 0.00 C ATOM 1658 CD GLU A 105 -11.688 -1.787 -8.893 1.00 0.00 C ATOM 1659 OE1 GLU A 105 -12.498 -1.866 -7.946 1.00 0.00 O ATOM 1660 OE2 GLU A 105 -11.920 -2.240 -10.033 1.00 0.00 O ATOM 0 H GLU A 105 -10.087 -0.214 -6.287 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.778 -2.826 -6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.409 -1.492 -7.850 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.249 -2.921 -8.419 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.522 -0.181 -8.093 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.913 -0.828 -9.604 1.00 0.00 H new ATOM 1667 N SER A 106 -9.085 -4.467 -5.687 1.00 0.00 N ATOM 1668 CA SER A 106 -8.182 -5.418 -5.049 1.00 0.00 C ATOM 1669 C SER A 106 -6.911 -5.599 -5.873 1.00 0.00 C ATOM 1670 O SER A 106 -6.967 -5.931 -7.058 1.00 0.00 O ATOM 1671 CB SER A 106 -8.878 -6.768 -4.862 1.00 0.00 C ATOM 1672 OG SER A 106 -9.376 -7.260 -6.094 1.00 0.00 O ATOM 0 H SER A 106 -9.938 -4.882 -6.062 1.00 0.00 H new ATOM 0 HA SER A 106 -7.907 -5.020 -4.072 1.00 0.00 H new ATOM 0 HB2 SER A 106 -8.177 -7.486 -4.437 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.697 -6.663 -4.151 1.00 0.00 H new ATOM 0 HG SER A 106 -8.845 -6.893 -6.831 1.00 0.00 H new ATOM 1678 N LYS A 107 -5.765 -5.377 -5.239 1.00 0.00 N ATOM 1679 CA LYS A 107 -4.479 -5.515 -5.910 1.00 0.00 C ATOM 1680 C LYS A 107 -3.700 -6.704 -5.356 1.00 0.00 C ATOM 1681 O LYS A 107 -3.510 -6.825 -4.145 1.00 0.00 O ATOM 1682 CB LYS A 107 -3.656 -4.234 -5.751 1.00 0.00 C ATOM 1683 CG LYS A 107 -4.422 -2.972 -6.108 1.00 0.00 C ATOM 1684 CD LYS A 107 -4.771 -2.931 -7.586 1.00 0.00 C ATOM 1685 CE LYS A 107 -3.654 -2.302 -8.405 1.00 0.00 C ATOM 1686 NZ LYS A 107 -3.883 -2.459 -9.868 1.00 0.00 N ATOM 0 H LYS A 107 -5.701 -5.100 -4.259 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.668 -5.689 -6.969 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -3.310 -4.160 -4.720 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.769 -4.301 -6.381 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -5.336 -2.920 -5.516 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -3.825 -2.097 -5.850 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -4.961 -3.943 -7.944 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -5.691 -2.364 -7.728 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.577 -1.242 -8.161 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.703 -2.761 -8.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.100 -2.017 -10.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.931 -3.470 -10.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -4.778 -1.999 -10.131 1.00 0.00 H new ATOM 1700 N THR A 108 -3.250 -7.580 -6.249 1.00 0.00 N ATOM 1701 CA THR A 108 -2.492 -8.758 -5.849 1.00 0.00 C ATOM 1702 C THR A 108 -0.994 -8.476 -5.852 1.00 0.00 C ATOM 1703 O THR A 108 -0.459 -7.921 -6.812 1.00 0.00 O ATOM 1704 CB THR A 108 -2.780 -9.953 -6.777 1.00 0.00 C ATOM 1705 OG1 THR A 108 -2.955 -9.497 -8.123 1.00 0.00 O ATOM 1706 CG2 THR A 108 -4.024 -10.703 -6.325 1.00 0.00 C ATOM 0 H THR A 108 -3.398 -7.495 -7.255 1.00 0.00 H new ATOM 0 HA THR A 108 -2.809 -9.009 -4.837 1.00 0.00 H new ATOM 0 HB THR A 108 -1.929 -10.633 -6.731 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.281 -8.816 -8.328 1.00 0.00 H new ATOM 0 HG21 THR A 108 -4.207 -11.542 -6.996 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.877 -11.074 -5.311 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.881 -10.030 -6.344 1.00 0.00 H new ATOM 1714 N VAL A 109 -0.321 -8.862 -4.773 1.00 0.00 N ATOM 1715 CA VAL A 109 1.117 -8.652 -4.653 1.00 0.00 C ATOM 1716 C VAL A 109 1.861 -9.980 -4.567 1.00 0.00 C ATOM 1717 O VAL A 109 1.652 -10.762 -3.639 1.00 0.00 O ATOM 1718 CB VAL A 109 1.458 -7.804 -3.413 1.00 0.00 C ATOM 1719 CG1 VAL A 109 0.964 -8.487 -2.146 1.00 0.00 C ATOM 1720 CG2 VAL A 109 2.956 -7.547 -3.340 1.00 0.00 C ATOM 0 H VAL A 109 -0.748 -9.322 -3.969 1.00 0.00 H new ATOM 0 HA VAL A 109 1.435 -8.118 -5.548 1.00 0.00 H new ATOM 0 HB VAL A 109 0.951 -6.843 -3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.214 -7.873 -1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.117 -8.615 -2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.441 -9.462 -2.049 1.00 0.00 H new ATOM 0 HG21 VAL A 109 3.180 -6.947 -2.458 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.486 -8.498 -3.276 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.277 -7.012 -4.234 1.00 0.00 H new ATOM 1730 N ARG A 110 2.730 -10.228 -5.541 1.00 0.00 N ATOM 1731 CA ARG A 110 3.505 -11.462 -5.577 1.00 0.00 C ATOM 1732 C ARG A 110 4.829 -11.294 -4.837 1.00 0.00 C ATOM 1733 O ARG A 110 5.736 -10.608 -5.312 1.00 0.00 O ATOM 1734 CB ARG A 110 3.767 -11.884 -7.024 1.00 0.00 C ATOM 1735 CG ARG A 110 4.110 -13.356 -7.177 1.00 0.00 C ATOM 1736 CD ARG A 110 4.754 -13.641 -8.525 1.00 0.00 C ATOM 1737 NE ARG A 110 6.209 -13.516 -8.474 1.00 0.00 N ATOM 1738 CZ ARG A 110 6.961 -13.252 -9.536 1.00 0.00 C ATOM 1739 NH1 ARG A 110 6.400 -13.086 -10.726 1.00 0.00 N ATOM 1740 NH2 ARG A 110 8.279 -13.154 -9.409 1.00 0.00 N ATOM 0 H ARG A 110 2.915 -9.591 -6.316 1.00 0.00 H new ATOM 0 HA ARG A 110 2.926 -12.239 -5.079 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.885 -11.661 -7.624 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.585 -11.286 -7.426 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.787 -13.658 -6.378 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.205 -13.954 -7.071 1.00 0.00 H new ATOM 0 HD2 ARG A 110 4.488 -14.647 -8.848 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.357 -12.951 -9.270 1.00 0.00 H new ATOM 0 HE ARG A 110 6.672 -13.638 -7.573 1.00 0.00 H new ATOM 0 HH11 ARG A 110 5.388 -13.161 -10.828 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.981 -12.883 -11.540 1.00 0.00 H new ATOM 0 HH21 ARG A 110 8.714 -13.282 -8.495 1.00 0.00 H new ATOM 0 HH22 ARG A 110 8.856 -12.951 -10.225 1.00 0.00 H new ATOM 1754 N THR A 111 4.934 -11.925 -3.672 1.00 0.00 N ATOM 1755 CA THR A 111 6.146 -11.844 -2.865 1.00 0.00 C ATOM 1756 C THR A 111 7.215 -12.800 -3.382 1.00 0.00 C ATOM 1757 O THR A 111 7.115 -14.014 -3.204 1.00 0.00 O ATOM 1758 CB THR A 111 5.859 -12.163 -1.386 1.00 0.00 C ATOM 1759 OG1 THR A 111 5.170 -13.414 -1.280 1.00 0.00 O ATOM 1760 CG2 THR A 111 5.024 -11.064 -0.747 1.00 0.00 C ATOM 0 H THR A 111 4.194 -12.498 -3.266 1.00 0.00 H new ATOM 0 HA THR A 111 6.510 -10.820 -2.943 1.00 0.00 H new ATOM 0 HB THR A 111 6.811 -12.226 -0.860 1.00 0.00 H new ATOM 0 HG1 THR A 111 5.233 -13.745 -0.360 1.00 0.00 H new ATOM 0 HG21 THR A 111 4.834 -11.312 0.297 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.563 -10.118 -0.803 1.00 0.00 H new ATOM 0 HG23 THR A 111 4.076 -10.973 -1.276 1.00 0.00 H new ATOM 1768 N THR A 112 8.240 -12.245 -4.022 1.00 0.00 N ATOM 1769 CA THR A 112 9.327 -13.048 -4.565 1.00 0.00 C ATOM 1770 C THR A 112 9.783 -14.104 -3.565 1.00 0.00 C ATOM 1771 O THR A 112 9.443 -14.041 -2.384 1.00 0.00 O ATOM 1772 CB THR A 112 10.533 -12.172 -4.954 1.00 0.00 C ATOM 1773 OG1 THR A 112 11.525 -12.968 -5.613 1.00 0.00 O ATOM 1774 CG2 THR A 112 11.140 -11.511 -3.726 1.00 0.00 C ATOM 0 H THR A 112 8.339 -11.242 -4.177 1.00 0.00 H new ATOM 0 HA THR A 112 8.941 -13.539 -5.458 1.00 0.00 H new ATOM 0 HB THR A 112 10.184 -11.393 -5.632 1.00 0.00 H new ATOM 0 HG1 THR A 112 12.287 -12.403 -5.858 1.00 0.00 H new ATOM 0 HG21 THR A 112 11.990 -10.898 -4.026 1.00 0.00 H new ATOM 0 HG22 THR A 112 10.391 -10.883 -3.243 1.00 0.00 H new ATOM 0 HG23 THR A 112 11.475 -12.278 -3.028 1.00 0.00 H new ATOM 1782 N GLU A 113 10.554 -15.075 -4.045 1.00 0.00 N ATOM 1783 CA GLU A 113 11.056 -16.145 -3.191 1.00 0.00 C ATOM 1784 C GLU A 113 12.561 -16.323 -3.370 1.00 0.00 C ATOM 1785 O GLU A 113 13.092 -16.135 -4.464 1.00 0.00 O ATOM 1786 CB GLU A 113 10.335 -17.458 -3.504 1.00 0.00 C ATOM 1787 CG GLU A 113 10.505 -17.918 -4.942 1.00 0.00 C ATOM 1788 CD GLU A 113 9.355 -18.785 -5.417 1.00 0.00 C ATOM 1789 OE1 GLU A 113 9.340 -19.987 -5.081 1.00 0.00 O ATOM 1790 OE2 GLU A 113 8.470 -18.260 -6.124 1.00 0.00 O ATOM 0 H GLU A 113 10.844 -15.143 -5.020 1.00 0.00 H new ATOM 0 HA GLU A 113 10.861 -15.870 -2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 113 10.707 -18.235 -2.836 1.00 0.00 H new ATOM 0 HB3 GLU A 113 9.272 -17.338 -3.293 1.00 0.00 H new ATOM 0 HG2 GLU A 113 10.590 -17.046 -5.591 1.00 0.00 H new ATOM 0 HG3 GLU A 113 11.437 -18.475 -5.033 1.00 0.00 H new ATOM 1797 N GLU A 114 13.240 -16.688 -2.287 1.00 0.00 N ATOM 1798 CA GLU A 114 14.684 -16.890 -2.324 1.00 0.00 C ATOM 1799 C GLU A 114 15.398 -15.630 -2.804 1.00 0.00 C ATOM 1800 O GLU A 114 16.309 -15.696 -3.629 1.00 0.00 O ATOM 1801 CB GLU A 114 15.033 -18.067 -3.239 1.00 0.00 C ATOM 1802 CG GLU A 114 15.028 -19.411 -2.530 1.00 0.00 C ATOM 1803 CD GLU A 114 16.380 -19.767 -1.945 1.00 0.00 C ATOM 1804 OE1 GLU A 114 17.363 -19.829 -2.714 1.00 0.00 O ATOM 1805 OE2 GLU A 114 16.457 -19.983 -0.717 1.00 0.00 O ATOM 0 H GLU A 114 12.814 -16.850 -1.374 1.00 0.00 H new ATOM 0 HA GLU A 114 15.020 -17.113 -1.311 1.00 0.00 H new ATOM 0 HB2 GLU A 114 14.322 -18.098 -4.064 1.00 0.00 H new ATOM 0 HB3 GLU A 114 16.018 -17.899 -3.674 1.00 0.00 H new ATOM 0 HG2 GLU A 114 14.285 -19.394 -1.733 1.00 0.00 H new ATOM 0 HG3 GLU A 114 14.725 -20.187 -3.233 1.00 0.00 H new ATOM 1812 N SER A 115 14.977 -14.483 -2.281 1.00 0.00 N ATOM 1813 CA SER A 115 15.572 -13.206 -2.658 1.00 0.00 C ATOM 1814 C SER A 115 17.037 -13.145 -2.237 1.00 0.00 C ATOM 1815 O SER A 115 17.386 -13.493 -1.109 1.00 0.00 O ATOM 1816 CB SER A 115 14.798 -12.051 -2.022 1.00 0.00 C ATOM 1817 OG SER A 115 15.357 -10.800 -2.385 1.00 0.00 O ATOM 0 H SER A 115 14.226 -14.412 -1.595 1.00 0.00 H new ATOM 0 HA SER A 115 15.519 -13.114 -3.743 1.00 0.00 H new ATOM 0 HB2 SER A 115 13.755 -12.092 -2.336 1.00 0.00 H new ATOM 0 HB3 SER A 115 14.808 -12.156 -0.937 1.00 0.00 H new ATOM 0 HG SER A 115 14.843 -10.078 -1.967 1.00 0.00 H new ATOM 1823 N GLY A 116 17.892 -12.699 -3.153 1.00 0.00 N ATOM 1824 CA GLY A 116 19.309 -12.599 -2.859 1.00 0.00 C ATOM 1825 C GLY A 116 19.620 -11.495 -1.868 1.00 0.00 C ATOM 1826 O GLY A 116 19.060 -10.400 -1.931 1.00 0.00 O ATOM 0 H GLY A 116 17.628 -12.405 -4.093 1.00 0.00 H new ATOM 0 HA2 GLY A 116 19.662 -13.550 -2.461 1.00 0.00 H new ATOM 0 HA3 GLY A 116 19.857 -12.418 -3.784 1.00 0.00 H new ATOM 1830 N PRO A 117 20.532 -11.778 -0.926 1.00 0.00 N ATOM 1831 CA PRO A 117 20.935 -10.813 0.101 1.00 0.00 C ATOM 1832 C PRO A 117 21.747 -9.658 -0.476 1.00 0.00 C ATOM 1833 O PRO A 117 22.950 -9.785 -0.702 1.00 0.00 O ATOM 1834 CB PRO A 117 21.795 -11.648 1.053 1.00 0.00 C ATOM 1835 CG PRO A 117 22.316 -12.763 0.215 1.00 0.00 C ATOM 1836 CD PRO A 117 21.239 -13.063 -0.791 1.00 0.00 C ATOM 0 HA PRO A 117 20.076 -10.344 0.580 1.00 0.00 H new ATOM 0 HB2 PRO A 117 22.608 -11.056 1.474 1.00 0.00 H new ATOM 0 HB3 PRO A 117 21.207 -12.024 1.891 1.00 0.00 H new ATOM 0 HG2 PRO A 117 23.244 -12.478 -0.280 1.00 0.00 H new ATOM 0 HG3 PRO A 117 22.536 -13.640 0.824 1.00 0.00 H new ATOM 0 HD2 PRO A 117 21.658 -13.393 -1.742 1.00 0.00 H new ATOM 0 HD3 PRO A 117 20.574 -13.853 -0.444 1.00 0.00 H new ATOM 1844 N SER A 118 21.081 -8.532 -0.711 1.00 0.00 N ATOM 1845 CA SER A 118 21.740 -7.356 -1.265 1.00 0.00 C ATOM 1846 C SER A 118 21.874 -6.261 -0.210 1.00 0.00 C ATOM 1847 O SER A 118 20.961 -5.460 -0.012 1.00 0.00 O ATOM 1848 CB SER A 118 20.959 -6.826 -2.469 1.00 0.00 C ATOM 1849 OG SER A 118 21.759 -5.959 -3.254 1.00 0.00 O ATOM 0 H SER A 118 20.085 -8.410 -0.526 1.00 0.00 H new ATOM 0 HA SER A 118 22.738 -7.649 -1.589 1.00 0.00 H new ATOM 0 HB2 SER A 118 20.615 -7.661 -3.080 1.00 0.00 H new ATOM 0 HB3 SER A 118 20.071 -6.295 -2.126 1.00 0.00 H new ATOM 0 HG SER A 118 21.238 -5.635 -4.018 1.00 0.00 H new ATOM 1855 N SER A 119 23.020 -6.234 0.463 1.00 0.00 N ATOM 1856 CA SER A 119 23.274 -5.242 1.501 1.00 0.00 C ATOM 1857 C SER A 119 23.358 -3.841 0.903 1.00 0.00 C ATOM 1858 O SER A 119 24.444 -3.345 0.605 1.00 0.00 O ATOM 1859 CB SER A 119 24.570 -5.570 2.244 1.00 0.00 C ATOM 1860 OG SER A 119 24.518 -5.114 3.585 1.00 0.00 O ATOM 0 H SER A 119 23.787 -6.888 0.308 1.00 0.00 H new ATOM 0 HA SER A 119 22.443 -5.269 2.206 1.00 0.00 H new ATOM 0 HB2 SER A 119 24.739 -6.647 2.229 1.00 0.00 H new ATOM 0 HB3 SER A 119 25.414 -5.108 1.732 1.00 0.00 H new ATOM 0 HG SER A 119 25.357 -5.337 4.039 1.00 0.00 H new ATOM 1866 N GLY A 120 22.202 -3.207 0.730 1.00 0.00 N ATOM 1867 CA GLY A 120 22.166 -1.869 0.169 1.00 0.00 C ATOM 1868 C GLY A 120 20.751 -1.372 -0.053 1.00 0.00 C ATOM 1869 O GLY A 120 20.147 -1.641 -1.092 1.00 0.00 O ATOM 0 H GLY A 120 21.290 -3.596 0.968 1.00 0.00 H new ATOM 0 HA2 GLY A 120 22.688 -1.184 0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 120 22.704 -1.861 -0.779 1.00 0.00 H new TER 1873 GLY A 120