USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 750 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 75 TYR OH : rot 180:sc= -0.511 USER MOD Set 1.2: A 84 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 87 ASN : amide:sc= -0.221 X(o=-0.73,f=-0.29) USER MOD Set 2.1: A 77 LYS NZ :NH3+ -176:sc= 0 (180deg=0) USER MOD Set 2.2: A 81 GLN : amide:sc= -0.0418 K(o=-0.042,f=-0.61) USER MOD Set 3.1: A 15 LYS NZ :NH3+ 145:sc= -1.39 (180deg=-1.91!) USER MOD Set 3.2: A 41 ASN : amide:sc= -1.82! C(o=-3.2!,f=-9.9!) USER MOD Single : A 1 GLU N :NH3+ -158:sc= -0.0145 (180deg=-0.171) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0582 X(o=-0.058,f=-0.4) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -170:sc= -0.157 USER MOD Single : A 13 ASN : amide:sc= -0.0668 X(o=-0.067,f=-0.1) USER MOD Single : A 14 MET CE :methyl -167:sc= -0.442 (180deg=-0.773) USER MOD Single : A 17 TYR OH : rot -140:sc= -0.217 USER MOD Single : A 19 ASN : amide:sc= -2.73! C(o=-2.7!,f=-3!) USER MOD Single : A 25 HIS : no HD1:sc= -0.0357 X(o=-0.036,f=-0.033) USER MOD Single : A 27 SER OG : rot 9:sc= 0.415 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.153) USER MOD Single : A 53 SER OG : rot 43:sc= 1.16 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0.532 K(o=0.53,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.843 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0099 X(o=-0.0099,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.236 K(o=-0.24,f=-1.1) USER MOD Single : A 66 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 67 ASN : amide:sc= -0.323 X(o=-0.32,f=0) USER MOD Single : A 70 THR OG1 : rot 170:sc= -0.638 USER MOD Single : A 72 THR OG1 : rot 171:sc= 0.157 USER MOD Single : A 74 THR OG1 : rot -135:sc= 0.31 USER MOD Single : A 79 CYS SG : rot 10:sc= 0.0429 USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 160:sc= -0.261 USER MOD Single : A 83 ASN : amide:sc= -0.0444 X(o=-0.044,f=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.962 K(o=-0.96,f=-4.5!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0237 X(o=-0.024,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -31.672 -19.828 0.180 1.00 0.00 N ATOM 2 CA GLU A 1 -32.393 -21.049 -0.278 1.00 0.00 C ATOM 3 C GLU A 1 -31.582 -21.804 -1.328 1.00 0.00 C ATOM 4 O GLU A 1 -31.606 -21.458 -2.511 1.00 0.00 O ATOM 5 CB GLU A 1 -33.750 -20.634 -0.851 1.00 0.00 C ATOM 6 CG GLU A 1 -34.702 -20.059 0.185 1.00 0.00 C ATOM 7 CD GLU A 1 -35.905 -20.950 0.429 1.00 0.00 C ATOM 8 OE1 GLU A 1 -36.790 -21.007 -0.451 1.00 0.00 O ATOM 9 OE2 GLU A 1 -35.959 -21.593 1.497 1.00 0.00 O ATOM 0 H1 GLU A 1 -32.029 -19.544 1.115 1.00 0.00 H new ATOM 0 H2 GLU A 1 -30.654 -20.030 0.245 1.00 0.00 H new ATOM 0 H3 GLU A 1 -31.829 -19.057 -0.500 1.00 0.00 H new ATOM 0 HA GLU A 1 -32.537 -21.718 0.570 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -33.592 -19.894 -1.636 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -34.217 -21.501 -1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -34.167 -19.912 1.123 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -35.042 -19.077 -0.145 1.00 0.00 H new ATOM 16 N LYS A 2 -30.861 -22.836 -0.884 1.00 0.00 N ATOM 17 CA LYS A 2 -30.033 -23.648 -1.777 1.00 0.00 C ATOM 18 C LYS A 2 -28.944 -22.797 -2.437 1.00 0.00 C ATOM 19 O LYS A 2 -28.815 -21.606 -2.145 1.00 0.00 O ATOM 20 CB LYS A 2 -30.905 -24.322 -2.844 1.00 0.00 C ATOM 21 CG LYS A 2 -31.584 -25.599 -2.368 1.00 0.00 C ATOM 22 CD LYS A 2 -32.537 -25.335 -1.211 1.00 0.00 C ATOM 23 CE LYS A 2 -33.379 -26.562 -0.888 1.00 0.00 C ATOM 24 NZ LYS A 2 -34.794 -26.208 -0.582 1.00 0.00 N ATOM 0 H LYS A 2 -30.834 -23.129 0.093 1.00 0.00 H new ATOM 0 HA LYS A 2 -29.546 -24.421 -1.182 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -31.668 -23.617 -3.174 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -30.287 -24.552 -3.712 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -32.133 -26.049 -3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -30.827 -26.319 -2.058 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -31.967 -25.041 -0.329 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -33.191 -24.500 -1.461 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -33.353 -27.251 -1.732 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -32.944 -27.085 -0.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -35.330 -27.073 -0.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -34.823 -25.571 0.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -35.218 -25.732 -1.404 1.00 0.00 H new ATOM 38 N LYS A 3 -28.159 -23.416 -3.322 1.00 0.00 N ATOM 39 CA LYS A 3 -27.077 -22.721 -4.025 1.00 0.00 C ATOM 40 C LYS A 3 -26.059 -22.152 -3.035 1.00 0.00 C ATOM 41 O LYS A 3 -26.026 -20.946 -2.782 1.00 0.00 O ATOM 42 CB LYS A 3 -27.639 -21.601 -4.910 1.00 0.00 C ATOM 43 CG LYS A 3 -28.743 -22.057 -5.853 1.00 0.00 C ATOM 44 CD LYS A 3 -28.506 -21.578 -7.277 1.00 0.00 C ATOM 45 CE LYS A 3 -29.282 -22.416 -8.284 1.00 0.00 C ATOM 46 NZ LYS A 3 -28.743 -22.275 -9.667 1.00 0.00 N ATOM 0 H LYS A 3 -28.253 -24.401 -3.570 1.00 0.00 H new ATOM 0 HA LYS A 3 -26.569 -23.447 -4.661 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -28.025 -20.806 -4.272 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -26.827 -21.173 -5.497 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -28.804 -23.145 -5.841 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -29.702 -21.680 -5.498 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -28.804 -20.533 -7.365 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -27.441 -21.626 -7.506 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -29.246 -23.464 -7.987 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -30.330 -22.117 -8.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -29.301 -22.862 -10.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -28.801 -21.279 -9.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -27.750 -22.585 -9.686 1.00 0.00 H new ATOM 60 N GLU A 4 -25.230 -23.034 -2.476 1.00 0.00 N ATOM 61 CA GLU A 4 -24.209 -22.631 -1.511 1.00 0.00 C ATOM 62 C GLU A 4 -22.804 -22.861 -2.074 1.00 0.00 C ATOM 63 O GLU A 4 -22.646 -23.183 -3.253 1.00 0.00 O ATOM 64 CB GLU A 4 -24.392 -23.406 -0.201 1.00 0.00 C ATOM 65 CG GLU A 4 -25.058 -22.589 0.896 1.00 0.00 C ATOM 66 CD GLU A 4 -24.075 -22.113 1.950 1.00 0.00 C ATOM 67 OE1 GLU A 4 -23.208 -21.276 1.619 1.00 0.00 O ATOM 68 OE2 GLU A 4 -24.170 -22.580 3.104 1.00 0.00 O ATOM 0 H GLU A 4 -25.246 -24.034 -2.676 1.00 0.00 H new ATOM 0 HA GLU A 4 -24.323 -21.565 -1.313 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -24.990 -24.296 -0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -23.418 -23.747 0.150 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -25.553 -21.726 0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -25.832 -23.191 1.372 1.00 0.00 H new ATOM 75 N GLN A 5 -21.786 -22.689 -1.222 1.00 0.00 N ATOM 76 CA GLN A 5 -20.389 -22.873 -1.628 1.00 0.00 C ATOM 77 C GLN A 5 -19.967 -21.806 -2.644 1.00 0.00 C ATOM 78 O GLN A 5 -19.373 -22.117 -3.679 1.00 0.00 O ATOM 79 CB GLN A 5 -20.174 -24.280 -2.206 1.00 0.00 C ATOM 80 CG GLN A 5 -19.435 -25.223 -1.267 1.00 0.00 C ATOM 81 CD GLN A 5 -17.960 -25.345 -1.602 1.00 0.00 C ATOM 82 OE1 GLN A 5 -17.586 -25.514 -2.762 1.00 0.00 O ATOM 83 NE2 GLN A 5 -17.108 -25.265 -0.583 1.00 0.00 N ATOM 0 H GLN A 5 -21.905 -22.422 -0.245 1.00 0.00 H new ATOM 0 HA GLN A 5 -19.764 -22.763 -0.742 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -21.143 -24.713 -2.453 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -19.615 -24.198 -3.138 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -19.543 -24.867 -0.242 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -19.897 -26.209 -1.312 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -17.458 -25.124 0.365 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -16.105 -25.344 -0.750 1.00 0.00 H new ATOM 92 N VAL A 6 -20.275 -20.548 -2.337 1.00 0.00 N ATOM 93 CA VAL A 6 -19.929 -19.433 -3.215 1.00 0.00 C ATOM 94 C VAL A 6 -18.801 -18.592 -2.615 1.00 0.00 C ATOM 95 O VAL A 6 -18.700 -18.454 -1.395 1.00 0.00 O ATOM 96 CB VAL A 6 -21.159 -18.534 -3.489 1.00 0.00 C ATOM 97 CG1 VAL A 6 -21.698 -17.938 -2.195 1.00 0.00 C ATOM 98 CG2 VAL A 6 -20.816 -17.439 -4.491 1.00 0.00 C ATOM 0 H VAL A 6 -20.765 -20.275 -1.485 1.00 0.00 H new ATOM 0 HA VAL A 6 -19.589 -19.858 -4.159 1.00 0.00 H new ATOM 0 HB VAL A 6 -21.942 -19.156 -3.923 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -22.562 -17.311 -2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -21.995 -18.741 -1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -20.923 -17.335 -1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -21.695 -16.820 -4.668 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -20.011 -16.821 -4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -20.496 -17.892 -5.429 1.00 0.00 H new ATOM 108 N SER A 7 -17.949 -18.038 -3.481 1.00 0.00 N ATOM 109 CA SER A 7 -16.826 -17.215 -3.034 1.00 0.00 C ATOM 110 C SER A 7 -17.315 -15.976 -2.286 1.00 0.00 C ATOM 111 O SER A 7 -18.195 -15.257 -2.766 1.00 0.00 O ATOM 112 CB SER A 7 -15.960 -16.795 -4.225 1.00 0.00 C ATOM 113 OG SER A 7 -14.673 -16.384 -3.801 1.00 0.00 O ATOM 0 H SER A 7 -18.016 -18.145 -4.493 1.00 0.00 H new ATOM 0 HA SER A 7 -16.225 -17.816 -2.351 1.00 0.00 H new ATOM 0 HB2 SER A 7 -15.868 -17.627 -4.923 1.00 0.00 H new ATOM 0 HB3 SER A 7 -16.446 -15.981 -4.763 1.00 0.00 H new ATOM 0 HG SER A 7 -14.140 -16.123 -4.581 1.00 0.00 H new ATOM 119 N GLY A 8 -16.739 -15.736 -1.109 1.00 0.00 N ATOM 120 CA GLY A 8 -17.123 -14.589 -0.307 1.00 0.00 C ATOM 121 C GLY A 8 -16.021 -13.547 -0.213 1.00 0.00 C ATOM 122 O GLY A 8 -15.996 -12.600 -1.001 1.00 0.00 O ATOM 0 H GLY A 8 -16.011 -16.319 -0.697 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -18.015 -14.132 -0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -17.388 -14.924 0.696 1.00 0.00 H new ATOM 126 N PRO A 9 -15.088 -13.695 0.752 1.00 0.00 N ATOM 127 CA PRO A 9 -13.980 -12.747 0.939 1.00 0.00 C ATOM 128 C PRO A 9 -12.963 -12.803 -0.202 1.00 0.00 C ATOM 129 O PRO A 9 -12.252 -13.797 -0.359 1.00 0.00 O ATOM 130 CB PRO A 9 -13.334 -13.207 2.250 1.00 0.00 C ATOM 131 CG PRO A 9 -13.689 -14.646 2.367 1.00 0.00 C ATOM 132 CD PRO A 9 -15.048 -14.792 1.737 1.00 0.00 C ATOM 0 HA PRO A 9 -14.330 -11.715 0.957 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.253 -13.067 2.228 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.712 -12.637 3.098 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.955 -15.271 1.859 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.707 -14.959 3.411 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.167 -15.765 1.260 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.845 -14.699 2.475 1.00 0.00 H new ATOM 140 N PRO A 10 -12.880 -11.729 -1.015 1.00 0.00 N ATOM 141 CA PRO A 10 -11.943 -11.659 -2.146 1.00 0.00 C ATOM 142 C PRO A 10 -10.502 -11.946 -1.723 1.00 0.00 C ATOM 143 O PRO A 10 -9.830 -12.787 -2.321 1.00 0.00 O ATOM 144 CB PRO A 10 -12.089 -10.218 -2.645 1.00 0.00 C ATOM 145 CG PRO A 10 -13.445 -9.793 -2.196 1.00 0.00 C ATOM 146 CD PRO A 10 -13.694 -10.504 -0.897 1.00 0.00 C ATOM 0 HA PRO A 10 -12.165 -12.406 -2.908 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.315 -9.575 -2.227 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.997 -10.164 -3.730 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -13.491 -8.712 -2.064 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -14.201 -10.056 -2.936 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.388 -9.899 -0.043 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.751 -10.735 -0.762 1.00 0.00 H new ATOM 154 N LEU A 11 -10.035 -11.247 -0.685 1.00 0.00 N ATOM 155 CA LEU A 11 -8.679 -11.435 -0.176 1.00 0.00 C ATOM 156 C LEU A 11 -8.683 -11.503 1.350 1.00 0.00 C ATOM 157 O LEU A 11 -8.606 -12.587 1.928 1.00 0.00 O ATOM 158 CB LEU A 11 -7.763 -10.305 -0.658 1.00 0.00 C ATOM 159 CG LEU A 11 -6.572 -10.753 -1.504 1.00 0.00 C ATOM 160 CD1 LEU A 11 -7.031 -11.178 -2.891 1.00 0.00 C ATOM 161 CD2 LEU A 11 -5.536 -9.639 -1.594 1.00 0.00 C ATOM 0 H LEU A 11 -10.579 -10.546 -0.182 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.296 -12.380 -0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.357 -9.600 -1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.389 -9.766 0.212 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.108 -11.614 -1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.169 -11.494 -3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.734 -12.007 -2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.520 -10.339 -3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.694 -9.973 -2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.987 -8.759 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.185 -9.386 -0.593 1.00 0.00 H new ATOM 173 N SER A 12 -8.795 -10.338 1.991 1.00 0.00 N ATOM 174 CA SER A 12 -8.833 -10.251 3.452 1.00 0.00 C ATOM 175 C SER A 12 -7.557 -10.806 4.093 1.00 0.00 C ATOM 176 O SER A 12 -7.398 -12.020 4.231 1.00 0.00 O ATOM 177 CB SER A 12 -10.061 -11.001 3.987 1.00 0.00 C ATOM 178 OG SER A 12 -11.170 -10.856 3.114 1.00 0.00 O ATOM 0 H SER A 12 -8.861 -9.437 1.518 1.00 0.00 H new ATOM 0 HA SER A 12 -8.901 -9.197 3.720 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.823 -12.058 4.104 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.320 -10.621 4.975 1.00 0.00 H new ATOM 0 HG SER A 12 -11.976 -11.205 3.548 1.00 0.00 H new ATOM 184 N ASN A 13 -6.653 -9.906 4.493 1.00 0.00 N ATOM 185 CA ASN A 13 -5.398 -10.310 5.131 1.00 0.00 C ATOM 186 C ASN A 13 -4.906 -9.231 6.100 1.00 0.00 C ATOM 187 O ASN A 13 -5.083 -9.352 7.313 1.00 0.00 O ATOM 188 CB ASN A 13 -4.324 -10.609 4.075 1.00 0.00 C ATOM 189 CG ASN A 13 -4.462 -12.002 3.486 1.00 0.00 C ATOM 190 OD1 ASN A 13 -4.052 -12.988 4.098 1.00 0.00 O ATOM 191 ND2 ASN A 13 -5.043 -12.091 2.294 1.00 0.00 N ATOM 0 H ASN A 13 -6.767 -8.898 4.387 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.588 -11.220 5.699 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.390 -9.871 3.275 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.337 -10.504 4.525 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.163 -13.002 1.852 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.369 -11.248 1.821 1.00 0.00 H new ATOM 198 N MET A 14 -4.292 -8.176 5.558 1.00 0.00 N ATOM 199 CA MET A 14 -3.781 -7.077 6.376 1.00 0.00 C ATOM 200 C MET A 14 -3.248 -5.951 5.492 1.00 0.00 C ATOM 201 O MET A 14 -2.572 -6.204 4.493 1.00 0.00 O ATOM 202 CB MET A 14 -2.678 -7.575 7.317 1.00 0.00 C ATOM 203 CG MET A 14 -2.800 -7.034 8.733 1.00 0.00 C ATOM 204 SD MET A 14 -2.110 -5.376 8.902 1.00 0.00 S ATOM 205 CE MET A 14 -3.580 -4.445 9.322 1.00 0.00 C ATOM 0 H MET A 14 -4.138 -8.061 4.556 1.00 0.00 H new ATOM 0 HA MET A 14 -4.604 -6.689 6.976 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.703 -8.664 7.349 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.708 -7.290 6.910 1.00 0.00 H new ATOM 0 HG2 MET A 14 -3.851 -7.018 9.023 1.00 0.00 H new ATOM 0 HG3 MET A 14 -2.290 -7.708 9.421 1.00 0.00 H new ATOM 0 HE1 MET A 14 -3.373 -3.379 9.234 1.00 0.00 H new ATOM 0 HE2 MET A 14 -4.388 -4.715 8.642 1.00 0.00 H new ATOM 0 HE3 MET A 14 -3.875 -4.674 10.346 1.00 0.00 H new ATOM 215 N LYS A 15 -3.559 -4.711 5.860 1.00 0.00 N ATOM 216 CA LYS A 15 -3.116 -3.550 5.098 1.00 0.00 C ATOM 217 C LYS A 15 -2.842 -2.366 6.024 1.00 0.00 C ATOM 218 O LYS A 15 -3.451 -2.246 7.089 1.00 0.00 O ATOM 219 CB LYS A 15 -4.164 -3.178 4.050 1.00 0.00 C ATOM 220 CG LYS A 15 -3.630 -3.212 2.626 1.00 0.00 C ATOM 221 CD LYS A 15 -4.724 -2.945 1.602 1.00 0.00 C ATOM 222 CE LYS A 15 -6.003 -3.718 1.910 1.00 0.00 C ATOM 223 NZ LYS A 15 -5.771 -5.191 2.003 1.00 0.00 N ATOM 0 H LYS A 15 -4.117 -4.485 6.683 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.186 -3.805 4.590 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.008 -3.864 4.131 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.543 -2.179 4.265 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.841 -2.468 2.516 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.180 -4.185 2.430 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.944 -1.878 1.577 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.366 -3.220 0.610 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.423 -3.359 2.849 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.741 -3.518 1.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.395 -5.596 2.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.977 -5.634 1.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.779 -5.371 2.259 1.00 0.00 H new ATOM 237 N PHE A 16 -1.914 -1.504 5.622 1.00 0.00 N ATOM 238 CA PHE A 16 -1.551 -0.340 6.424 1.00 0.00 C ATOM 239 C PHE A 16 -0.915 0.740 5.551 1.00 0.00 C ATOM 240 O PHE A 16 -0.016 0.454 4.765 1.00 0.00 O ATOM 241 CB PHE A 16 -0.595 -0.769 7.538 1.00 0.00 C ATOM 242 CG PHE A 16 -0.172 0.344 8.457 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.109 1.043 9.202 1.00 0.00 C ATOM 244 CD2 PHE A 16 1.166 0.680 8.585 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.718 2.059 10.052 1.00 0.00 C ATOM 246 CE2 PHE A 16 1.561 1.697 9.434 1.00 0.00 C ATOM 247 CZ PHE A 16 0.618 2.385 10.171 1.00 0.00 C ATOM 0 H PHE A 16 -1.399 -1.589 4.746 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.452 0.082 6.870 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.073 -1.550 8.129 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.294 -1.209 7.087 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.156 0.791 9.117 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.909 0.141 8.015 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.458 2.599 10.624 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.607 1.953 9.521 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.925 3.176 10.839 1.00 0.00 H new ATOM 257 N TYR A 17 -1.396 1.974 5.682 1.00 0.00 N ATOM 258 CA TYR A 17 -0.873 3.084 4.887 1.00 0.00 C ATOM 259 C TYR A 17 -0.322 4.200 5.777 1.00 0.00 C ATOM 260 O TYR A 17 -1.073 4.888 6.470 1.00 0.00 O ATOM 261 CB TYR A 17 -1.971 3.635 3.972 1.00 0.00 C ATOM 262 CG TYR A 17 -1.960 3.059 2.572 1.00 0.00 C ATOM 263 CD1 TYR A 17 -1.829 1.692 2.355 1.00 0.00 C ATOM 264 CD2 TYR A 17 -2.090 3.886 1.467 1.00 0.00 C ATOM 265 CE1 TYR A 17 -1.830 1.169 1.075 1.00 0.00 C ATOM 266 CE2 TYR A 17 -2.091 3.372 0.184 1.00 0.00 C ATOM 267 CZ TYR A 17 -1.960 2.015 -0.007 1.00 0.00 C ATOM 268 OH TYR A 17 -1.963 1.498 -1.282 1.00 0.00 O ATOM 0 H TYR A 17 -2.143 2.231 6.327 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.051 2.705 4.280 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.941 3.436 4.427 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.865 4.718 3.908 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.725 1.028 3.200 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.192 4.951 1.611 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.730 0.104 0.923 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.194 4.032 -0.665 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.450 2.086 -1.875 1.00 0.00 H new ATOM 278 N LEU A 18 0.999 4.376 5.745 1.00 0.00 N ATOM 279 CA LEU A 18 1.667 5.410 6.536 1.00 0.00 C ATOM 280 C LEU A 18 3.038 5.733 5.939 1.00 0.00 C ATOM 281 O LEU A 18 4.050 5.166 6.349 1.00 0.00 O ATOM 282 CB LEU A 18 1.815 4.953 7.995 1.00 0.00 C ATOM 283 CG LEU A 18 1.217 5.900 9.040 1.00 0.00 C ATOM 284 CD1 LEU A 18 -0.278 5.660 9.195 1.00 0.00 C ATOM 285 CD2 LEU A 18 1.930 5.732 10.376 1.00 0.00 C ATOM 0 H LEU A 18 1.631 3.812 5.176 1.00 0.00 H new ATOM 0 HA LEU A 18 1.057 6.313 6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.344 3.976 8.102 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.875 4.822 8.212 1.00 0.00 H new ATOM 0 HG LEU A 18 1.360 6.925 8.697 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.681 6.344 9.942 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.775 5.832 8.240 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.450 4.632 9.514 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.494 6.411 11.109 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.817 4.704 10.722 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.989 5.960 10.254 1.00 0.00 H new ATOM 297 N ASN A 19 3.066 6.636 4.960 1.00 0.00 N ATOM 298 CA ASN A 19 4.317 7.015 4.297 1.00 0.00 C ATOM 299 C ASN A 19 5.363 7.510 5.299 1.00 0.00 C ATOM 300 O ASN A 19 5.032 8.192 6.273 1.00 0.00 O ATOM 301 CB ASN A 19 4.055 8.084 3.231 1.00 0.00 C ATOM 302 CG ASN A 19 3.260 7.543 2.056 1.00 0.00 C ATOM 303 OD1 ASN A 19 2.031 7.589 2.051 1.00 0.00 O ATOM 304 ND2 ASN A 19 3.959 7.028 1.050 1.00 0.00 N ATOM 0 H ASN A 19 2.240 7.119 4.608 1.00 0.00 H new ATOM 0 HA ASN A 19 4.716 6.122 3.816 1.00 0.00 H new ATOM 0 HB2 ASN A 19 3.514 8.917 3.680 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.006 8.478 2.873 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.477 6.652 0.234 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.978 7.009 1.094 1.00 0.00 H new ATOM 311 N ARG A 20 6.627 7.153 5.051 1.00 0.00 N ATOM 312 CA ARG A 20 7.736 7.547 5.923 1.00 0.00 C ATOM 313 C ARG A 20 8.106 9.019 5.719 1.00 0.00 C ATOM 314 O ARG A 20 7.490 9.718 4.910 1.00 0.00 O ATOM 315 CB ARG A 20 8.961 6.660 5.658 1.00 0.00 C ATOM 316 CG ARG A 20 9.767 6.338 6.908 1.00 0.00 C ATOM 317 CD ARG A 20 11.225 6.747 6.755 1.00 0.00 C ATOM 318 NE ARG A 20 12.098 5.598 6.516 1.00 0.00 N ATOM 319 CZ ARG A 20 13.333 5.691 6.017 1.00 0.00 C ATOM 320 NH1 ARG A 20 13.847 6.876 5.699 1.00 0.00 N ATOM 321 NH2 ARG A 20 14.058 4.593 5.833 1.00 0.00 N ATOM 0 H ARG A 20 6.908 6.589 4.249 1.00 0.00 H new ATOM 0 HA ARG A 20 7.413 7.416 6.956 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.631 5.728 5.200 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.609 7.158 4.937 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.332 6.853 7.765 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.708 5.269 7.115 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.318 7.451 5.928 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.551 7.268 7.655 1.00 0.00 H new ATOM 0 HE ARG A 20 11.742 4.670 6.744 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.297 7.724 5.836 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.791 6.937 5.318 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.671 3.680 6.073 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.002 4.663 5.452 1.00 0.00 H new ATOM 335 N ASP A 21 9.121 9.484 6.455 1.00 0.00 N ATOM 336 CA ASP A 21 9.578 10.869 6.352 1.00 0.00 C ATOM 337 C ASP A 21 10.718 10.998 5.339 1.00 0.00 C ATOM 338 O ASP A 21 11.798 11.500 5.662 1.00 0.00 O ATOM 339 CB ASP A 21 10.030 11.392 7.724 1.00 0.00 C ATOM 340 CG ASP A 21 9.922 12.904 7.845 1.00 0.00 C ATOM 341 OD1 ASP A 21 9.825 13.585 6.801 1.00 0.00 O ATOM 342 OD2 ASP A 21 9.932 13.408 8.988 1.00 0.00 O ATOM 0 H ASP A 21 9.640 8.920 7.128 1.00 0.00 H new ATOM 0 HA ASP A 21 8.739 11.472 6.004 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.425 10.926 8.502 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.063 11.091 7.900 1.00 0.00 H new ATOM 347 N ALA A 22 10.469 10.546 4.109 1.00 0.00 N ATOM 348 CA ALA A 22 11.472 10.619 3.048 1.00 0.00 C ATOM 349 C ALA A 22 11.243 11.830 2.138 1.00 0.00 C ATOM 350 O ALA A 22 11.957 12.011 1.151 1.00 0.00 O ATOM 351 CB ALA A 22 11.472 9.330 2.234 1.00 0.00 C ATOM 0 H ALA A 22 9.584 10.127 3.824 1.00 0.00 H new ATOM 0 HA ALA A 22 12.448 10.742 3.518 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.223 9.397 1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.703 8.488 2.886 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.489 9.183 1.786 1.00 0.00 H new ATOM 357 N ASP A 23 10.244 12.655 2.473 1.00 0.00 N ATOM 358 CA ASP A 23 9.913 13.847 1.692 1.00 0.00 C ATOM 359 C ASP A 23 9.278 13.498 0.336 1.00 0.00 C ATOM 360 O ASP A 23 8.932 14.396 -0.434 1.00 0.00 O ATOM 361 CB ASP A 23 11.158 14.720 1.477 1.00 0.00 C ATOM 362 CG ASP A 23 10.854 16.211 1.487 1.00 0.00 C ATOM 363 OD1 ASP A 23 9.667 16.587 1.367 1.00 0.00 O ATOM 364 OD2 ASP A 23 11.808 17.008 1.617 1.00 0.00 O ATOM 0 H ASP A 23 9.647 12.514 3.288 1.00 0.00 H new ATOM 0 HA ASP A 23 9.176 14.406 2.269 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.887 14.499 2.256 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.619 14.456 0.525 1.00 0.00 H new ATOM 369 N ALA A 24 9.119 12.197 0.045 1.00 0.00 N ATOM 370 CA ALA A 24 8.525 11.746 -1.216 1.00 0.00 C ATOM 371 C ALA A 24 8.659 10.230 -1.379 1.00 0.00 C ATOM 372 O ALA A 24 9.316 9.562 -0.577 1.00 0.00 O ATOM 373 CB ALA A 24 9.168 12.459 -2.400 1.00 0.00 C ATOM 0 H ALA A 24 9.396 11.440 0.670 1.00 0.00 H new ATOM 0 HA ALA A 24 7.464 11.995 -1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.712 12.109 -3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.016 13.534 -2.304 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.236 12.244 -2.418 1.00 0.00 H new ATOM 379 N HIS A 25 8.032 9.694 -2.428 1.00 0.00 N ATOM 380 CA HIS A 25 8.078 8.259 -2.710 1.00 0.00 C ATOM 381 C HIS A 25 7.374 7.948 -4.026 1.00 0.00 C ATOM 382 O HIS A 25 7.993 7.470 -4.977 1.00 0.00 O ATOM 383 CB HIS A 25 7.433 7.466 -1.567 1.00 0.00 C ATOM 384 CG HIS A 25 8.066 6.129 -1.334 1.00 0.00 C ATOM 385 ND1 HIS A 25 7.361 4.945 -1.369 1.00 0.00 N ATOM 386 CD2 HIS A 25 9.350 5.793 -1.063 1.00 0.00 C ATOM 387 CE1 HIS A 25 8.183 3.938 -1.129 1.00 0.00 C ATOM 388 NE2 HIS A 25 9.394 4.427 -0.941 1.00 0.00 N ATOM 0 H HIS A 25 7.485 10.235 -3.098 1.00 0.00 H new ATOM 0 HA HIS A 25 9.123 7.962 -2.796 1.00 0.00 H new ATOM 0 HB2 HIS A 25 7.493 8.052 -0.650 1.00 0.00 H new ATOM 0 HB3 HIS A 25 6.375 7.325 -1.786 1.00 0.00 H new ATOM 0 HD2 HIS A 25 10.183 6.473 -0.962 1.00 0.00 H new ATOM 0 HE1 HIS A 25 7.910 2.894 -1.093 1.00 0.00 H new ATOM 0 HE2 HIS A 25 10.229 3.878 -0.738 1.00 0.00 H new ATOM 397 N ASP A 26 6.077 8.234 -4.065 1.00 0.00 N ATOM 398 CA ASP A 26 5.266 8.002 -5.257 1.00 0.00 C ATOM 399 C ASP A 26 3.899 8.669 -5.117 1.00 0.00 C ATOM 400 O ASP A 26 3.474 9.419 -5.997 1.00 0.00 O ATOM 401 CB ASP A 26 5.096 6.501 -5.510 1.00 0.00 C ATOM 402 CG ASP A 26 5.568 6.093 -6.893 1.00 0.00 C ATOM 403 OD1 ASP A 26 5.105 6.702 -7.882 1.00 0.00 O ATOM 404 OD2 ASP A 26 6.399 5.167 -6.988 1.00 0.00 O ATOM 0 H ASP A 26 5.561 8.630 -3.279 1.00 0.00 H new ATOM 0 HA ASP A 26 5.783 8.443 -6.109 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.654 5.943 -4.759 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.046 6.232 -5.393 1.00 0.00 H new ATOM 409 N SER A 27 3.220 8.393 -4.002 1.00 0.00 N ATOM 410 CA SER A 27 1.904 8.965 -3.741 1.00 0.00 C ATOM 411 C SER A 27 1.636 9.061 -2.239 1.00 0.00 C ATOM 412 O SER A 27 2.259 8.355 -1.443 1.00 0.00 O ATOM 413 CB SER A 27 0.813 8.126 -4.412 1.00 0.00 C ATOM 414 OG SER A 27 0.822 8.301 -5.819 1.00 0.00 O ATOM 0 H SER A 27 3.563 7.776 -3.266 1.00 0.00 H new ATOM 0 HA SER A 27 1.887 9.971 -4.160 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.962 7.073 -4.173 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.162 8.408 -4.014 1.00 0.00 H new ATOM 0 HG SER A 27 1.612 8.819 -6.079 1.00 0.00 H new ATOM 420 N LEU A 28 0.704 9.939 -1.861 1.00 0.00 N ATOM 421 CA LEU A 28 0.349 10.129 -0.455 1.00 0.00 C ATOM 422 C LEU A 28 -1.164 10.271 -0.285 1.00 0.00 C ATOM 423 O LEU A 28 -1.805 9.432 0.346 1.00 0.00 O ATOM 424 CB LEU A 28 1.055 11.361 0.118 1.00 0.00 C ATOM 425 CG LEU A 28 2.584 11.304 0.103 1.00 0.00 C ATOM 426 CD1 LEU A 28 3.167 12.684 -0.160 1.00 0.00 C ATOM 427 CD2 LEU A 28 3.111 10.742 1.416 1.00 0.00 C ATOM 0 H LEU A 28 0.182 10.529 -2.510 1.00 0.00 H new ATOM 0 HA LEU A 28 0.678 9.246 0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.735 12.238 -0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.723 11.504 1.146 1.00 0.00 H new ATOM 0 HG LEU A 28 2.895 10.640 -0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.255 12.624 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.817 13.049 -1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.847 13.370 0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.200 10.709 1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.789 11.379 2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.721 9.735 1.563 1.00 0.00 H new ATOM 439 N ASN A 29 -1.727 11.339 -0.852 1.00 0.00 N ATOM 440 CA ASN A 29 -3.166 11.582 -0.765 1.00 0.00 C ATOM 441 C ASN A 29 -3.906 10.920 -1.928 1.00 0.00 C ATOM 442 O ASN A 29 -4.993 10.370 -1.750 1.00 0.00 O ATOM 443 CB ASN A 29 -3.463 13.084 -0.747 1.00 0.00 C ATOM 444 CG ASN A 29 -3.903 13.568 0.622 1.00 0.00 C ATOM 445 OD1 ASN A 29 -3.087 14.021 1.424 1.00 0.00 O ATOM 446 ND2 ASN A 29 -5.200 13.473 0.896 1.00 0.00 N ATOM 0 H ASN A 29 -1.210 12.046 -1.374 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.519 11.142 0.167 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.572 13.632 -1.055 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.242 13.307 -1.476 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.554 13.782 1.801 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -5.841 13.091 0.201 1.00 0.00 H new ATOM 453 N ASP A 30 -3.310 10.986 -3.121 1.00 0.00 N ATOM 454 CA ASP A 30 -3.910 10.402 -4.324 1.00 0.00 C ATOM 455 C ASP A 30 -4.182 8.906 -4.154 1.00 0.00 C ATOM 456 O ASP A 30 -5.181 8.396 -4.661 1.00 0.00 O ATOM 457 CB ASP A 30 -2.999 10.631 -5.532 1.00 0.00 C ATOM 458 CG ASP A 30 -3.402 11.846 -6.351 1.00 0.00 C ATOM 459 OD1 ASP A 30 -3.823 12.859 -5.751 1.00 0.00 O ATOM 460 OD2 ASP A 30 -3.294 11.783 -7.593 1.00 0.00 O ATOM 0 H ASP A 30 -2.410 11.439 -3.280 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.866 10.899 -4.489 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.972 10.754 -5.189 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.018 9.747 -6.169 1.00 0.00 H new ATOM 465 N ILE A 31 -3.295 8.211 -3.439 1.00 0.00 N ATOM 466 CA ILE A 31 -3.461 6.773 -3.208 1.00 0.00 C ATOM 467 C ILE A 31 -4.796 6.469 -2.535 1.00 0.00 C ATOM 468 O ILE A 31 -5.351 5.394 -2.724 1.00 0.00 O ATOM 469 CB ILE A 31 -2.330 6.177 -2.347 1.00 0.00 C ATOM 470 CG1 ILE A 31 -2.115 7.016 -1.084 1.00 0.00 C ATOM 471 CG2 ILE A 31 -1.052 6.070 -3.161 1.00 0.00 C ATOM 472 CD1 ILE A 31 -0.882 6.631 -0.296 1.00 0.00 C ATOM 0 H ILE A 31 -2.461 8.615 -3.013 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.428 6.310 -4.194 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.618 5.173 -2.034 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.041 8.066 -1.365 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.990 6.919 -0.441 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.261 5.648 -2.542 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.222 5.424 -4.023 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.755 7.061 -3.504 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.798 7.270 0.583 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.961 5.590 0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.003 6.756 -0.921 1.00 0.00 H new ATOM 484 N ASP A 32 -5.310 7.422 -1.761 1.00 0.00 N ATOM 485 CA ASP A 32 -6.587 7.248 -1.080 1.00 0.00 C ATOM 486 C ASP A 32 -7.684 6.886 -2.082 1.00 0.00 C ATOM 487 O ASP A 32 -8.603 6.131 -1.767 1.00 0.00 O ATOM 488 CB ASP A 32 -6.963 8.525 -0.327 1.00 0.00 C ATOM 489 CG ASP A 32 -8.182 8.339 0.555 1.00 0.00 C ATOM 490 OD1 ASP A 32 -9.309 8.548 0.058 1.00 0.00 O ATOM 491 OD2 ASP A 32 -8.008 7.983 1.738 1.00 0.00 O ATOM 0 H ASP A 32 -4.861 8.322 -1.591 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.488 6.432 -0.364 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.120 8.844 0.286 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.155 9.323 -1.044 1.00 0.00 H new ATOM 496 N GLN A 33 -7.568 7.422 -3.298 1.00 0.00 N ATOM 497 CA GLN A 33 -8.538 7.152 -4.352 1.00 0.00 C ATOM 498 C GLN A 33 -8.291 5.785 -4.989 1.00 0.00 C ATOM 499 O GLN A 33 -9.226 5.004 -5.171 1.00 0.00 O ATOM 500 CB GLN A 33 -8.486 8.251 -5.417 1.00 0.00 C ATOM 501 CG GLN A 33 -9.514 8.077 -6.524 1.00 0.00 C ATOM 502 CD GLN A 33 -9.708 9.342 -7.341 1.00 0.00 C ATOM 503 OE1 GLN A 33 -10.130 10.373 -6.819 1.00 0.00 O ATOM 504 NE2 GLN A 33 -9.403 9.267 -8.632 1.00 0.00 N ATOM 0 H GLN A 33 -6.810 8.046 -3.574 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.531 7.142 -3.903 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.641 9.217 -4.937 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.489 8.271 -5.858 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.200 7.267 -7.183 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.468 7.781 -6.087 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.056 8.392 -9.024 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.516 10.085 -9.231 1.00 0.00 H new ATOM 513 N LEU A 34 -7.031 5.494 -5.315 1.00 0.00 N ATOM 514 CA LEU A 34 -6.678 4.208 -5.919 1.00 0.00 C ATOM 515 C LEU A 34 -6.768 3.075 -4.891 1.00 0.00 C ATOM 516 O LEU A 34 -6.927 1.908 -5.254 1.00 0.00 O ATOM 517 CB LEU A 34 -5.277 4.270 -6.532 1.00 0.00 C ATOM 518 CG LEU A 34 -4.113 4.250 -5.534 1.00 0.00 C ATOM 519 CD1 LEU A 34 -3.724 2.823 -5.187 1.00 0.00 C ATOM 520 CD2 LEU A 34 -2.920 5.005 -6.102 1.00 0.00 C ATOM 0 H LEU A 34 -6.243 6.126 -5.173 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.394 3.999 -6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.161 3.428 -7.214 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.202 5.178 -7.131 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.436 4.745 -4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.896 2.834 -4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.577 2.311 -4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.419 2.299 -6.093 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.100 4.983 -5.384 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.600 4.534 -7.032 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.204 6.039 -6.298 1.00 0.00 H new ATOM 532 N ALA A 35 -6.676 3.435 -3.612 1.00 0.00 N ATOM 533 CA ALA A 35 -6.758 2.463 -2.523 1.00 0.00 C ATOM 534 C ALA A 35 -8.206 2.258 -2.076 1.00 0.00 C ATOM 535 O ALA A 35 -8.514 1.294 -1.376 1.00 0.00 O ATOM 536 CB ALA A 35 -5.894 2.900 -1.348 1.00 0.00 C ATOM 0 H ALA A 35 -6.544 4.398 -3.303 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.381 1.510 -2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.969 2.164 -0.548 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.856 2.982 -1.670 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.238 3.868 -0.983 1.00 0.00 H new ATOM 542 N ARG A 36 -9.094 3.162 -2.502 1.00 0.00 N ATOM 543 CA ARG A 36 -10.512 3.068 -2.165 1.00 0.00 C ATOM 544 C ARG A 36 -11.081 1.721 -2.616 1.00 0.00 C ATOM 545 O ARG A 36 -12.035 1.209 -2.028 1.00 0.00 O ATOM 546 CB ARG A 36 -11.283 4.217 -2.825 1.00 0.00 C ATOM 547 CG ARG A 36 -12.757 4.268 -2.456 1.00 0.00 C ATOM 548 CD ARG A 36 -13.585 4.904 -3.561 1.00 0.00 C ATOM 549 NE ARG A 36 -14.428 5.988 -3.059 1.00 0.00 N ATOM 550 CZ ARG A 36 -15.596 5.802 -2.439 1.00 0.00 C ATOM 551 NH1 ARG A 36 -16.056 4.572 -2.220 1.00 0.00 N ATOM 552 NH2 ARG A 36 -16.301 6.850 -2.031 1.00 0.00 N ATOM 0 H ARG A 36 -8.852 3.966 -3.081 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.621 3.143 -1.083 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.816 5.161 -2.545 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.193 4.126 -3.907 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.120 3.259 -2.263 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.883 4.834 -1.533 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.921 5.290 -4.335 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.212 4.144 -4.028 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.104 6.946 -3.191 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.515 3.763 -2.526 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.949 4.438 -1.746 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.950 7.794 -2.191 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.194 6.711 -1.557 1.00 0.00 H new ATOM 566 N LEU A 37 -10.475 1.148 -3.658 1.00 0.00 N ATOM 567 CA LEU A 37 -10.901 -0.142 -4.185 1.00 0.00 C ATOM 568 C LEU A 37 -10.220 -1.284 -3.437 1.00 0.00 C ATOM 569 O LEU A 37 -10.866 -2.255 -3.047 1.00 0.00 O ATOM 570 CB LEU A 37 -10.574 -0.241 -5.673 1.00 0.00 C ATOM 571 CG LEU A 37 -11.726 0.106 -6.618 1.00 0.00 C ATOM 572 CD1 LEU A 37 -11.823 1.614 -6.810 1.00 0.00 C ATOM 573 CD2 LEU A 37 -11.548 -0.600 -7.958 1.00 0.00 C ATOM 0 H LEU A 37 -9.685 1.562 -4.153 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.979 -0.223 -4.046 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.736 0.421 -5.889 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.242 -1.256 -5.889 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.657 -0.241 -6.171 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.648 1.843 -7.485 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.999 2.093 -5.847 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.892 1.987 -7.236 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.376 -0.342 -8.618 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.609 -0.285 -8.413 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.531 -1.679 -7.802 1.00 0.00 H new ATOM 585 N ILE A 38 -8.907 -1.157 -3.239 1.00 0.00 N ATOM 586 CA ILE A 38 -8.134 -2.176 -2.534 1.00 0.00 C ATOM 587 C ILE A 38 -8.638 -2.350 -1.102 1.00 0.00 C ATOM 588 O ILE A 38 -8.486 -3.415 -0.514 1.00 0.00 O ATOM 589 CB ILE A 38 -6.622 -1.839 -2.528 1.00 0.00 C ATOM 590 CG1 ILE A 38 -5.998 -2.191 -3.882 1.00 0.00 C ATOM 591 CG2 ILE A 38 -5.896 -2.574 -1.405 1.00 0.00 C ATOM 592 CD1 ILE A 38 -6.655 -1.496 -5.056 1.00 0.00 C ATOM 0 H ILE A 38 -8.358 -0.358 -3.557 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.271 -3.115 -3.071 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.515 -0.768 -2.353 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.940 -1.930 -3.863 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.058 -3.269 -4.030 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.837 -2.317 -1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.321 -2.281 -0.445 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.011 -3.649 -1.540 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.159 -1.795 -5.980 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -7.707 -1.776 -5.102 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.572 -0.416 -4.932 1.00 0.00 H new ATOM 604 N ARG A 39 -9.258 -1.304 -0.558 1.00 0.00 N ATOM 605 CA ARG A 39 -9.805 -1.351 0.793 1.00 0.00 C ATOM 606 C ARG A 39 -11.070 -2.213 0.828 1.00 0.00 C ATOM 607 O ARG A 39 -11.465 -2.704 1.887 1.00 0.00 O ATOM 608 CB ARG A 39 -10.125 0.066 1.273 1.00 0.00 C ATOM 609 CG ARG A 39 -10.511 0.147 2.740 1.00 0.00 C ATOM 610 CD ARG A 39 -10.994 1.539 3.113 1.00 0.00 C ATOM 611 NE ARG A 39 -12.448 1.662 2.998 1.00 0.00 N ATOM 612 CZ ARG A 39 -13.085 2.076 1.897 1.00 0.00 C ATOM 613 NH1 ARG A 39 -12.404 2.432 0.810 1.00 0.00 N ATOM 614 NH2 ARG A 39 -14.412 2.137 1.887 1.00 0.00 N ATOM 0 H ARG A 39 -9.393 -0.413 -1.035 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.063 -1.796 1.456 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.257 0.702 1.100 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.940 0.468 0.670 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.295 -0.580 2.952 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.654 -0.120 3.358 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -10.690 1.767 4.135 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.515 2.275 2.467 1.00 0.00 H new ATOM 0 HE ARG A 39 -13.013 1.416 3.811 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -11.385 2.391 0.810 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.901 2.746 -0.023 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.941 1.869 2.717 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.902 2.452 1.050 1.00 0.00 H new ATOM 628 N ALA A 40 -11.700 -2.384 -0.337 1.00 0.00 N ATOM 629 CA ALA A 40 -12.919 -3.175 -0.447 1.00 0.00 C ATOM 630 C ALA A 40 -12.633 -4.673 -0.636 1.00 0.00 C ATOM 631 O ALA A 40 -13.563 -5.477 -0.701 1.00 0.00 O ATOM 632 CB ALA A 40 -13.778 -2.653 -1.591 1.00 0.00 C ATOM 0 H ALA A 40 -11.381 -1.982 -1.218 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.459 -3.070 0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -14.687 -3.250 -1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -14.042 -1.612 -1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.221 -2.722 -2.525 1.00 0.00 H new ATOM 638 N ASN A 41 -11.353 -5.043 -0.735 1.00 0.00 N ATOM 639 CA ASN A 41 -10.970 -6.448 -0.933 1.00 0.00 C ATOM 640 C ASN A 41 -11.365 -7.329 0.257 1.00 0.00 C ATOM 641 O ASN A 41 -11.621 -8.522 0.094 1.00 0.00 O ATOM 642 CB ASN A 41 -9.457 -6.556 -1.153 1.00 0.00 C ATOM 643 CG ASN A 41 -8.668 -6.593 0.149 1.00 0.00 C ATOM 644 OD1 ASN A 41 -8.079 -7.613 0.502 1.00 0.00 O ATOM 645 ND2 ASN A 41 -8.659 -5.482 0.874 1.00 0.00 N ATOM 0 H ASN A 41 -10.567 -4.395 -0.682 1.00 0.00 H new ATOM 0 HA ASN A 41 -11.507 -6.804 -1.812 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.242 -7.457 -1.727 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.121 -5.709 -1.751 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.151 -5.454 1.758 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.160 -4.656 0.547 1.00 0.00 H new ATOM 652 N GLY A 42 -11.397 -6.739 1.447 1.00 0.00 N ATOM 653 CA GLY A 42 -11.746 -7.486 2.645 1.00 0.00 C ATOM 654 C GLY A 42 -10.893 -7.100 3.842 1.00 0.00 C ATOM 655 O GLY A 42 -11.369 -7.102 4.977 1.00 0.00 O ATOM 0 H GLY A 42 -11.187 -5.753 1.605 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.796 -7.316 2.882 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.632 -8.552 2.450 1.00 0.00 H new ATOM 659 N GLY A 43 -9.628 -6.769 3.581 1.00 0.00 N ATOM 660 CA GLY A 43 -8.714 -6.378 4.643 1.00 0.00 C ATOM 661 C GLY A 43 -9.044 -5.015 5.230 1.00 0.00 C ATOM 662 O GLY A 43 -10.199 -4.739 5.554 1.00 0.00 O ATOM 0 H GLY A 43 -9.219 -6.765 2.647 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.742 -7.126 5.435 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.696 -6.364 4.254 1.00 0.00 H new ATOM 666 N GLU A 44 -8.029 -4.162 5.374 1.00 0.00 N ATOM 667 CA GLU A 44 -8.230 -2.830 5.939 1.00 0.00 C ATOM 668 C GLU A 44 -7.024 -1.933 5.679 1.00 0.00 C ATOM 669 O GLU A 44 -5.904 -2.265 6.058 1.00 0.00 O ATOM 670 CB GLU A 44 -8.489 -2.935 7.445 1.00 0.00 C ATOM 671 CG GLU A 44 -8.694 -1.592 8.131 1.00 0.00 C ATOM 672 CD GLU A 44 -10.061 -1.460 8.778 1.00 0.00 C ATOM 673 OE1 GLU A 44 -10.507 -2.425 9.435 1.00 0.00 O ATOM 674 OE2 GLU A 44 -10.683 -0.387 8.631 1.00 0.00 O ATOM 0 H GLU A 44 -7.066 -4.369 5.109 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.097 -2.382 5.453 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.371 -3.554 7.610 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.648 -3.447 7.913 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.924 -1.457 8.890 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.565 -0.793 7.400 1.00 0.00 H new ATOM 681 N VAL A 45 -7.267 -0.791 5.039 1.00 0.00 N ATOM 682 CA VAL A 45 -6.204 0.164 4.733 1.00 0.00 C ATOM 683 C VAL A 45 -6.559 1.567 5.224 1.00 0.00 C ATOM 684 O VAL A 45 -7.669 2.050 4.998 1.00 0.00 O ATOM 685 CB VAL A 45 -5.909 0.216 3.216 1.00 0.00 C ATOM 686 CG1 VAL A 45 -7.097 0.778 2.447 1.00 0.00 C ATOM 687 CG2 VAL A 45 -4.656 1.033 2.942 1.00 0.00 C ATOM 0 H VAL A 45 -8.193 -0.504 4.722 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.312 -0.182 5.255 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.737 -0.803 2.870 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.862 0.803 1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.969 0.145 2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.311 1.788 2.796 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.465 1.058 1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.797 2.050 3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.806 0.578 3.451 1.00 0.00 H new ATOM 697 N LEU A 46 -5.607 2.220 5.889 1.00 0.00 N ATOM 698 CA LEU A 46 -5.818 3.571 6.400 1.00 0.00 C ATOM 699 C LEU A 46 -4.834 4.541 5.748 1.00 0.00 C ATOM 700 O LEU A 46 -3.675 4.623 6.154 1.00 0.00 O ATOM 701 CB LEU A 46 -5.660 3.600 7.927 1.00 0.00 C ATOM 702 CG LEU A 46 -6.274 2.411 8.674 1.00 0.00 C ATOM 703 CD1 LEU A 46 -5.940 2.489 10.157 1.00 0.00 C ATOM 704 CD2 LEU A 46 -7.783 2.365 8.468 1.00 0.00 C ATOM 0 H LEU A 46 -4.683 1.835 6.086 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.833 3.880 6.152 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.597 3.647 8.164 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.112 4.517 8.305 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.848 1.493 8.269 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.383 1.638 10.675 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.858 2.471 10.288 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.340 3.414 10.572 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.198 1.513 9.007 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.230 3.285 8.844 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.002 2.263 7.405 1.00 0.00 H new ATOM 716 N ASP A 47 -5.299 5.265 4.729 1.00 0.00 N ATOM 717 CA ASP A 47 -4.450 6.221 4.015 1.00 0.00 C ATOM 718 C ASP A 47 -4.247 7.496 4.832 1.00 0.00 C ATOM 719 O ASP A 47 -5.138 8.341 4.913 1.00 0.00 O ATOM 720 CB ASP A 47 -5.054 6.575 2.648 1.00 0.00 C ATOM 721 CG ASP A 47 -5.298 5.360 1.771 1.00 0.00 C ATOM 722 OD1 ASP A 47 -6.180 4.545 2.114 1.00 0.00 O ATOM 723 OD2 ASP A 47 -4.612 5.230 0.737 1.00 0.00 O ATOM 0 H ASP A 47 -6.256 5.208 4.380 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.481 5.746 3.862 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.996 7.101 2.799 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.385 7.262 2.129 1.00 0.00 H new ATOM 728 N SER A 48 -3.066 7.625 5.433 1.00 0.00 N ATOM 729 CA SER A 48 -2.743 8.799 6.240 1.00 0.00 C ATOM 730 C SER A 48 -1.343 9.312 5.915 1.00 0.00 C ATOM 731 O SER A 48 -0.409 8.525 5.753 1.00 0.00 O ATOM 732 CB SER A 48 -2.843 8.461 7.731 1.00 0.00 C ATOM 733 OG SER A 48 -2.804 9.634 8.527 1.00 0.00 O ATOM 0 H SER A 48 -2.319 6.933 5.377 1.00 0.00 H new ATOM 0 HA SER A 48 -3.462 9.583 6.003 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.769 7.919 7.922 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.023 7.800 8.012 1.00 0.00 H new ATOM 0 HG SER A 48 -2.871 9.389 9.474 1.00 0.00 H new ATOM 739 N LYS A 49 -1.205 10.634 5.824 1.00 0.00 N ATOM 740 CA LYS A 49 0.082 11.249 5.523 1.00 0.00 C ATOM 741 C LYS A 49 0.609 12.018 6.736 1.00 0.00 C ATOM 742 O LYS A 49 0.289 13.192 6.927 1.00 0.00 O ATOM 743 CB LYS A 49 -0.056 12.193 4.323 1.00 0.00 C ATOM 744 CG LYS A 49 1.272 12.622 3.721 1.00 0.00 C ATOM 745 CD LYS A 49 1.157 13.962 3.009 1.00 0.00 C ATOM 746 CE LYS A 49 2.322 14.881 3.353 1.00 0.00 C ATOM 747 NZ LYS A 49 1.866 16.260 3.691 1.00 0.00 N ATOM 0 H LYS A 49 -1.969 11.297 5.955 1.00 0.00 H new ATOM 0 HA LYS A 49 0.793 10.460 5.278 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.651 11.702 3.553 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.607 13.081 4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.024 12.690 4.507 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.615 11.864 3.017 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.126 13.801 1.931 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.219 14.443 3.287 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.875 14.465 4.196 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.011 14.924 2.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.658 16.798 4.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.529 16.735 2.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.092 16.210 4.384 1.00 0.00 H new ATOM 761 N PRO A 50 1.420 11.355 7.582 1.00 0.00 N ATOM 762 CA PRO A 50 1.983 11.968 8.784 1.00 0.00 C ATOM 763 C PRO A 50 3.289 12.727 8.524 1.00 0.00 C ATOM 764 O PRO A 50 3.483 13.827 9.045 1.00 0.00 O ATOM 765 CB PRO A 50 2.230 10.761 9.686 1.00 0.00 C ATOM 766 CG PRO A 50 2.521 9.630 8.752 1.00 0.00 C ATOM 767 CD PRO A 50 1.833 9.944 7.444 1.00 0.00 C ATOM 0 HA PRO A 50 1.319 12.722 9.207 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.066 10.939 10.362 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.359 10.547 10.305 1.00 0.00 H new ATOM 0 HG2 PRO A 50 3.595 9.519 8.605 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.156 8.688 9.162 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.506 9.807 6.597 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.975 9.292 7.279 1.00 0.00 H new ATOM 775 N ARG A 51 4.182 12.129 7.729 1.00 0.00 N ATOM 776 CA ARG A 51 5.478 12.737 7.408 1.00 0.00 C ATOM 777 C ARG A 51 6.289 13.018 8.675 1.00 0.00 C ATOM 778 O ARG A 51 7.086 13.961 8.720 1.00 0.00 O ATOM 779 CB ARG A 51 5.295 14.026 6.603 1.00 0.00 C ATOM 780 CG ARG A 51 6.215 14.116 5.396 1.00 0.00 C ATOM 781 CD ARG A 51 6.635 15.551 5.113 1.00 0.00 C ATOM 782 NE ARG A 51 5.660 16.262 4.285 1.00 0.00 N ATOM 783 CZ ARG A 51 5.758 17.554 3.963 1.00 0.00 C ATOM 784 NH1 ARG A 51 6.786 18.279 4.393 1.00 0.00 N ATOM 785 NH2 ARG A 51 4.824 18.121 3.208 1.00 0.00 N ATOM 0 H ARG A 51 4.030 11.219 7.294 1.00 0.00 H new ATOM 0 HA ARG A 51 6.031 12.022 6.799 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.260 14.093 6.268 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.476 14.882 7.254 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.101 13.505 5.568 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.709 13.706 4.522 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.764 16.082 6.056 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.603 15.552 4.612 1.00 0.00 H new ATOM 0 HE ARG A 51 4.858 15.739 3.933 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.506 17.849 4.973 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.854 19.266 4.143 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.033 17.570 2.875 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.897 19.108 2.961 1.00 0.00 H new ATOM 799 N GLU A 52 6.093 12.188 9.695 1.00 0.00 N ATOM 800 CA GLU A 52 6.812 12.340 10.952 1.00 0.00 C ATOM 801 C GLU A 52 7.866 11.246 11.091 1.00 0.00 C ATOM 802 O GLU A 52 7.547 10.057 11.026 1.00 0.00 O ATOM 803 CB GLU A 52 5.838 12.274 12.129 1.00 0.00 C ATOM 804 CG GLU A 52 5.316 13.630 12.581 1.00 0.00 C ATOM 805 CD GLU A 52 4.435 13.533 13.812 1.00 0.00 C ATOM 806 OE1 GLU A 52 4.867 12.909 14.809 1.00 0.00 O ATOM 807 OE2 GLU A 52 3.312 14.074 13.781 1.00 0.00 O ATOM 0 H GLU A 52 5.442 11.403 9.674 1.00 0.00 H new ATOM 0 HA GLU A 52 7.306 13.312 10.955 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.992 11.645 11.852 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.334 11.789 12.970 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.159 14.288 12.792 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.751 14.087 11.769 1.00 0.00 H new ATOM 814 N SER A 53 9.120 11.649 11.276 1.00 0.00 N ATOM 815 CA SER A 53 10.211 10.694 11.415 1.00 0.00 C ATOM 816 C SER A 53 10.284 10.149 12.841 1.00 0.00 C ATOM 817 O SER A 53 10.864 10.776 13.729 1.00 0.00 O ATOM 818 CB SER A 53 11.540 11.342 11.021 1.00 0.00 C ATOM 819 OG SER A 53 11.897 12.374 11.923 1.00 0.00 O ATOM 0 H SER A 53 9.404 12.627 11.333 1.00 0.00 H new ATOM 0 HA SER A 53 10.017 9.858 10.743 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.324 10.585 11.002 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.464 11.748 10.012 1.00 0.00 H new ATOM 0 HG SER A 53 11.725 12.080 12.842 1.00 0.00 H new ATOM 825 N LYS A 54 9.688 8.978 13.049 1.00 0.00 N ATOM 826 CA LYS A 54 9.678 8.337 14.362 1.00 0.00 C ATOM 827 C LYS A 54 9.863 6.821 14.243 1.00 0.00 C ATOM 828 O LYS A 54 9.466 6.072 15.138 1.00 0.00 O ATOM 829 CB LYS A 54 8.362 8.651 15.080 1.00 0.00 C ATOM 830 CG LYS A 54 7.148 7.973 14.460 1.00 0.00 C ATOM 831 CD LYS A 54 5.858 8.387 15.151 1.00 0.00 C ATOM 832 CE LYS A 54 4.718 8.537 14.157 1.00 0.00 C ATOM 833 NZ LYS A 54 3.386 8.361 14.802 1.00 0.00 N ATOM 0 H LYS A 54 9.204 8.451 12.322 1.00 0.00 H new ATOM 0 HA LYS A 54 10.513 8.732 14.941 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.445 8.344 16.123 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.205 9.730 15.077 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.091 8.226 13.401 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.264 6.891 14.523 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.592 7.644 15.902 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.011 9.330 15.676 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.769 9.522 13.694 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.834 7.803 13.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.637 8.471 14.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.327 7.412 15.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.263 9.077 15.546 1.00 0.00 H new ATOM 847 N GLU A 55 10.457 6.379 13.131 1.00 0.00 N ATOM 848 CA GLU A 55 10.685 4.955 12.882 1.00 0.00 C ATOM 849 C GLU A 55 9.394 4.144 13.059 1.00 0.00 C ATOM 850 O GLU A 55 9.437 2.952 13.371 1.00 0.00 O ATOM 851 CB GLU A 55 11.782 4.420 13.807 1.00 0.00 C ATOM 852 CG GLU A 55 12.934 3.762 13.059 1.00 0.00 C ATOM 853 CD GLU A 55 14.196 4.608 13.037 1.00 0.00 C ATOM 854 OE1 GLU A 55 14.082 5.848 12.932 1.00 0.00 O ATOM 855 OE2 GLU A 55 15.298 4.028 13.116 1.00 0.00 O ATOM 0 H GLU A 55 10.790 6.991 12.386 1.00 0.00 H new ATOM 0 HA GLU A 55 11.011 4.844 11.848 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.171 5.241 14.410 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.346 3.697 14.496 1.00 0.00 H new ATOM 0 HG2 GLU A 55 13.157 2.801 13.522 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.624 3.558 12.034 1.00 0.00 H new ATOM 862 N ASN A 56 8.248 4.796 12.851 1.00 0.00 N ATOM 863 CA ASN A 56 6.956 4.131 12.986 1.00 0.00 C ATOM 864 C ASN A 56 6.014 4.514 11.842 1.00 0.00 C ATOM 865 O ASN A 56 4.795 4.545 12.018 1.00 0.00 O ATOM 866 CB ASN A 56 6.319 4.480 14.335 1.00 0.00 C ATOM 867 CG ASN A 56 5.617 3.294 14.967 1.00 0.00 C ATOM 868 OD1 ASN A 56 5.991 2.842 16.049 1.00 0.00 O ATOM 869 ND2 ASN A 56 4.595 2.778 14.292 1.00 0.00 N ATOM 0 H ASN A 56 8.191 5.780 12.589 1.00 0.00 H new ATOM 0 HA ASN A 56 7.124 3.055 12.939 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.089 4.847 15.013 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.604 5.291 14.197 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.088 1.977 14.668 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.318 3.183 13.398 1.00 0.00 H new ATOM 876 N VAL A 57 6.583 4.792 10.668 1.00 0.00 N ATOM 877 CA VAL A 57 5.787 5.158 9.502 1.00 0.00 C ATOM 878 C VAL A 57 6.159 4.292 8.302 1.00 0.00 C ATOM 879 O VAL A 57 7.207 4.486 7.685 1.00 0.00 O ATOM 880 CB VAL A 57 5.962 6.649 9.131 1.00 0.00 C ATOM 881 CG1 VAL A 57 4.938 7.500 9.862 1.00 0.00 C ATOM 882 CG2 VAL A 57 7.377 7.137 9.430 1.00 0.00 C ATOM 0 H VAL A 57 7.589 4.770 10.502 1.00 0.00 H new ATOM 0 HA VAL A 57 4.743 4.989 9.764 1.00 0.00 H new ATOM 0 HB VAL A 57 5.799 6.748 8.058 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.074 8.547 9.590 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.934 7.181 9.583 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.070 7.384 10.938 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.464 8.189 9.157 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.585 7.019 10.493 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.093 6.552 8.853 1.00 0.00 H new ATOM 892 N PHE A 58 5.284 3.339 7.976 1.00 0.00 N ATOM 893 CA PHE A 58 5.503 2.434 6.848 1.00 0.00 C ATOM 894 C PHE A 58 4.170 1.957 6.272 1.00 0.00 C ATOM 895 O PHE A 58 3.158 1.922 6.971 1.00 0.00 O ATOM 896 CB PHE A 58 6.350 1.227 7.281 1.00 0.00 C ATOM 897 CG PHE A 58 7.596 1.596 8.040 1.00 0.00 C ATOM 898 CD1 PHE A 58 8.716 2.074 7.377 1.00 0.00 C ATOM 899 CD2 PHE A 58 7.643 1.471 9.419 1.00 0.00 C ATOM 900 CE1 PHE A 58 9.857 2.418 8.076 1.00 0.00 C ATOM 901 CE2 PHE A 58 8.782 1.813 10.123 1.00 0.00 C ATOM 902 CZ PHE A 58 9.890 2.287 9.450 1.00 0.00 C ATOM 0 H PHE A 58 4.413 3.174 8.481 1.00 0.00 H new ATOM 0 HA PHE A 58 6.041 2.982 6.075 1.00 0.00 H new ATOM 0 HB2 PHE A 58 5.739 0.571 7.902 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.631 0.657 6.396 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.696 2.179 6.302 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.779 1.102 9.951 1.00 0.00 H new ATOM 0 HE1 PHE A 58 10.723 2.789 7.548 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.805 1.710 11.198 1.00 0.00 H new ATOM 0 HZ PHE A 58 10.782 2.555 9.997 1.00 0.00 H new ATOM 912 N ILE A 59 4.175 1.602 4.991 1.00 0.00 N ATOM 913 CA ILE A 59 2.972 1.135 4.315 1.00 0.00 C ATOM 914 C ILE A 59 3.068 -0.354 3.972 1.00 0.00 C ATOM 915 O ILE A 59 3.898 -0.755 3.160 1.00 0.00 O ATOM 916 CB ILE A 59 2.710 1.962 3.036 1.00 0.00 C ATOM 917 CG1 ILE A 59 1.504 1.413 2.267 1.00 0.00 C ATOM 918 CG2 ILE A 59 3.946 1.995 2.146 1.00 0.00 C ATOM 919 CD1 ILE A 59 1.207 2.170 0.989 1.00 0.00 C ATOM 0 H ILE A 59 5.005 1.630 4.398 1.00 0.00 H new ATOM 0 HA ILE A 59 2.135 1.271 4.999 1.00 0.00 H new ATOM 0 HB ILE A 59 2.483 2.984 3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.683 0.365 2.026 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.626 1.446 2.912 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.736 2.583 1.253 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.775 2.447 2.691 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.213 0.979 1.857 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.341 1.727 0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.996 3.213 1.225 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.070 2.115 0.325 1.00 0.00 H new ATOM 931 N VAL A 60 2.219 -1.170 4.599 1.00 0.00 N ATOM 932 CA VAL A 60 2.219 -2.615 4.359 1.00 0.00 C ATOM 933 C VAL A 60 1.216 -3.001 3.266 1.00 0.00 C ATOM 934 O VAL A 60 0.202 -2.328 3.073 1.00 0.00 O ATOM 935 CB VAL A 60 1.925 -3.420 5.658 1.00 0.00 C ATOM 936 CG1 VAL A 60 2.509 -2.718 6.878 1.00 0.00 C ATOM 937 CG2 VAL A 60 0.430 -3.658 5.846 1.00 0.00 C ATOM 0 H VAL A 60 1.523 -0.856 5.276 1.00 0.00 H new ATOM 0 HA VAL A 60 3.222 -2.874 4.019 1.00 0.00 H new ATOM 0 HB VAL A 60 2.407 -4.392 5.553 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.290 -3.301 7.773 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.589 -2.624 6.762 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.067 -1.726 6.974 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.264 -4.223 6.763 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.086 -2.700 5.912 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.042 -4.221 4.998 1.00 0.00 H new ATOM 947 N SER A 61 1.512 -4.090 2.554 1.00 0.00 N ATOM 948 CA SER A 61 0.645 -4.570 1.478 1.00 0.00 C ATOM 949 C SER A 61 -0.166 -5.790 1.924 1.00 0.00 C ATOM 950 O SER A 61 0.188 -6.459 2.896 1.00 0.00 O ATOM 951 CB SER A 61 1.488 -4.919 0.246 1.00 0.00 C ATOM 952 OG SER A 61 0.833 -4.532 -0.949 1.00 0.00 O ATOM 0 H SER A 61 2.347 -4.656 2.704 1.00 0.00 H new ATOM 0 HA SER A 61 -0.055 -3.775 1.223 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.455 -4.421 0.311 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.682 -5.991 0.227 1.00 0.00 H new ATOM 0 HG SER A 61 1.393 -4.764 -1.719 1.00 0.00 H new ATOM 958 N PRO A 62 -1.272 -6.096 1.212 1.00 0.00 N ATOM 959 CA PRO A 62 -2.138 -7.240 1.537 1.00 0.00 C ATOM 960 C PRO A 62 -1.416 -8.578 1.394 1.00 0.00 C ATOM 961 O PRO A 62 -1.017 -8.963 0.293 1.00 0.00 O ATOM 962 CB PRO A 62 -3.280 -7.150 0.518 1.00 0.00 C ATOM 963 CG PRO A 62 -3.207 -5.771 -0.046 1.00 0.00 C ATOM 964 CD PRO A 62 -1.768 -5.353 0.042 1.00 0.00 C ATOM 0 HA PRO A 62 -2.473 -7.198 2.573 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.167 -7.900 -0.265 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.244 -7.328 0.993 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -3.554 -5.755 -1.079 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -3.845 -5.088 0.515 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.218 -5.612 -0.862 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -1.669 -4.276 0.178 1.00 0.00 H new ATOM 972 N TYR A 63 -1.264 -9.283 2.514 1.00 0.00 N ATOM 973 CA TYR A 63 -0.600 -10.586 2.529 1.00 0.00 C ATOM 974 C TYR A 63 -0.563 -11.163 3.945 1.00 0.00 C ATOM 975 O TYR A 63 -1.313 -12.087 4.263 1.00 0.00 O ATOM 976 CB TYR A 63 0.827 -10.481 1.967 1.00 0.00 C ATOM 977 CG TYR A 63 1.107 -11.439 0.828 1.00 0.00 C ATOM 978 CD1 TYR A 63 1.298 -12.794 1.066 1.00 0.00 C ATOM 979 CD2 TYR A 63 1.181 -10.987 -0.484 1.00 0.00 C ATOM 980 CE1 TYR A 63 1.556 -13.672 0.029 1.00 0.00 C ATOM 981 CE2 TYR A 63 1.439 -11.858 -1.525 1.00 0.00 C ATOM 982 CZ TYR A 63 1.626 -13.199 -1.263 1.00 0.00 C ATOM 983 OH TYR A 63 1.885 -14.069 -2.298 1.00 0.00 O ATOM 0 H TYR A 63 -1.594 -8.972 3.428 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.176 -11.259 1.893 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.998 -9.461 1.622 1.00 0.00 H new ATOM 0 HB3 TYR A 63 1.539 -10.669 2.771 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.244 -13.168 2.078 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.034 -9.938 -0.693 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.702 -14.723 0.231 1.00 0.00 H new ATOM 0 HE2 TYR A 63 1.494 -11.490 -2.539 1.00 0.00 H new ATOM 0 HH TYR A 63 1.900 -13.575 -3.144 1.00 0.00 H new ATOM 993 N ASN A 64 0.314 -10.618 4.788 1.00 0.00 N ATOM 994 CA ASN A 64 0.449 -11.083 6.167 1.00 0.00 C ATOM 995 C ASN A 64 0.450 -9.912 7.148 1.00 0.00 C ATOM 996 O ASN A 64 0.836 -8.795 6.794 1.00 0.00 O ATOM 997 CB ASN A 64 1.732 -11.898 6.334 1.00 0.00 C ATOM 998 CG ASN A 64 1.593 -13.311 5.799 1.00 0.00 C ATOM 999 OD1 ASN A 64 1.276 -14.239 6.544 1.00 0.00 O ATOM 1000 ND2 ASN A 64 1.828 -13.482 4.503 1.00 0.00 N ATOM 0 H ASN A 64 0.942 -9.853 4.539 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.410 -11.717 6.388 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.549 -11.395 5.816 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.000 -11.937 7.390 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.748 -14.411 4.088 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.088 -12.685 3.922 1.00 0.00 H new ATOM 1007 N HIS A 65 0.028 -10.178 8.385 1.00 0.00 N ATOM 1008 CA HIS A 65 -0.008 -9.146 9.421 1.00 0.00 C ATOM 1009 C HIS A 65 1.400 -8.846 9.927 1.00 0.00 C ATOM 1010 O HIS A 65 2.064 -9.711 10.502 1.00 0.00 O ATOM 1011 CB HIS A 65 -0.909 -9.571 10.589 1.00 0.00 C ATOM 1012 CG HIS A 65 -0.608 -10.938 11.134 1.00 0.00 C ATOM 1013 ND1 HIS A 65 -1.171 -12.091 10.627 1.00 0.00 N ATOM 1014 CD2 HIS A 65 0.204 -11.331 12.146 1.00 0.00 C ATOM 1015 CE1 HIS A 65 -0.722 -13.132 11.305 1.00 0.00 C ATOM 1016 NE2 HIS A 65 0.115 -12.698 12.229 1.00 0.00 N ATOM 0 H HIS A 65 -0.293 -11.096 8.693 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.423 -8.241 8.978 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.810 -8.842 11.393 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -1.948 -9.544 10.260 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.808 -10.689 12.770 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.994 -14.163 11.133 1.00 0.00 H new ATOM 0 HE2 HIS A 65 0.615 -13.284 12.897 1.00 0.00 H new ATOM 1025 N THR A 66 1.849 -7.612 9.705 1.00 0.00 N ATOM 1026 CA THR A 66 3.177 -7.181 10.131 1.00 0.00 C ATOM 1027 C THR A 66 3.395 -5.711 9.785 1.00 0.00 C ATOM 1028 O THR A 66 3.377 -5.329 8.613 1.00 0.00 O ATOM 1029 CB THR A 66 4.265 -8.044 9.477 1.00 0.00 C ATOM 1030 OG1 THR A 66 5.555 -7.578 9.834 1.00 0.00 O ATOM 1031 CG2 THR A 66 4.185 -8.074 7.963 1.00 0.00 C ATOM 0 H THR A 66 1.308 -6.890 9.229 1.00 0.00 H new ATOM 0 HA THR A 66 3.243 -7.302 11.212 1.00 0.00 H new ATOM 0 HB THR A 66 4.093 -9.054 9.849 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.235 -8.141 9.409 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.984 -8.702 7.569 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.220 -8.479 7.658 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.293 -7.062 7.573 1.00 0.00 H new ATOM 1039 N ASN A 67 3.591 -4.891 10.813 1.00 0.00 N ATOM 1040 CA ASN A 67 3.801 -3.459 10.621 1.00 0.00 C ATOM 1041 C ASN A 67 5.289 -3.100 10.656 1.00 0.00 C ATOM 1042 O ASN A 67 5.650 -1.941 10.869 1.00 0.00 O ATOM 1043 CB ASN A 67 3.038 -2.672 11.687 1.00 0.00 C ATOM 1044 CG ASN A 67 1.539 -2.700 11.450 1.00 0.00 C ATOM 1045 OD1 ASN A 67 0.935 -1.683 11.109 1.00 0.00 O ATOM 1046 ND2 ASN A 67 0.931 -3.869 11.629 1.00 0.00 N ATOM 0 H ASN A 67 3.609 -5.193 11.787 1.00 0.00 H new ATOM 0 HA ASN A 67 3.420 -3.191 9.635 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.257 -3.087 12.671 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.385 -1.639 11.693 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.075 -3.948 11.483 1.00 0.00 H new ATOM 0 HD22 ASN A 67 1.471 -4.687 11.912 1.00 0.00 H new ATOM 1053 N LEU A 68 6.144 -4.100 10.438 1.00 0.00 N ATOM 1054 CA LEU A 68 7.590 -3.891 10.436 1.00 0.00 C ATOM 1055 C LEU A 68 8.099 -3.586 9.019 1.00 0.00 C ATOM 1056 O LEU A 68 8.760 -2.570 8.802 1.00 0.00 O ATOM 1057 CB LEU A 68 8.309 -5.120 11.009 1.00 0.00 C ATOM 1058 CG LEU A 68 8.948 -4.928 12.391 1.00 0.00 C ATOM 1059 CD1 LEU A 68 10.083 -3.918 12.321 1.00 0.00 C ATOM 1060 CD2 LEU A 68 7.906 -4.495 13.414 1.00 0.00 C ATOM 0 H LEU A 68 5.859 -5.063 10.261 1.00 0.00 H new ATOM 0 HA LEU A 68 7.809 -3.031 11.068 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.595 -5.941 11.069 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.086 -5.424 10.308 1.00 0.00 H new ATOM 0 HG LEU A 68 9.360 -5.885 12.711 1.00 0.00 H new ATOM 0 HD11 LEU A 68 10.523 -3.796 13.311 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.844 -4.274 11.627 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.696 -2.959 11.975 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.382 -4.365 14.386 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.458 -3.552 13.100 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.131 -5.258 13.489 1.00 0.00 H new ATOM 1072 N PRO A 69 7.797 -4.461 8.033 1.00 0.00 N ATOM 1073 CA PRO A 69 8.225 -4.276 6.639 1.00 0.00 C ATOM 1074 C PRO A 69 7.485 -3.133 5.943 1.00 0.00 C ATOM 1075 O PRO A 69 6.695 -2.421 6.566 1.00 0.00 O ATOM 1076 CB PRO A 69 7.889 -5.617 5.964 1.00 0.00 C ATOM 1077 CG PRO A 69 7.522 -6.552 7.068 1.00 0.00 C ATOM 1078 CD PRO A 69 7.017 -5.697 8.191 1.00 0.00 C ATOM 0 HA PRO A 69 9.281 -4.010 6.581 1.00 0.00 H new ATOM 0 HB2 PRO A 69 7.066 -5.503 5.259 1.00 0.00 H new ATOM 0 HB3 PRO A 69 8.742 -5.995 5.400 1.00 0.00 H new ATOM 0 HG2 PRO A 69 6.758 -7.258 6.742 1.00 0.00 H new ATOM 0 HG3 PRO A 69 8.384 -7.139 7.383 1.00 0.00 H new ATOM 0 HD2 PRO A 69 5.946 -5.513 8.109 1.00 0.00 H new ATOM 0 HD3 PRO A 69 7.187 -6.162 9.162 1.00 0.00 H new ATOM 1086 N THR A 70 7.747 -2.960 4.643 1.00 0.00 N ATOM 1087 CA THR A 70 7.105 -1.898 3.866 1.00 0.00 C ATOM 1088 C THR A 70 6.943 -2.305 2.400 1.00 0.00 C ATOM 1089 O THR A 70 7.607 -3.226 1.928 1.00 0.00 O ATOM 1090 CB THR A 70 7.920 -0.605 3.964 1.00 0.00 C ATOM 1091 OG1 THR A 70 8.398 -0.411 5.286 1.00 0.00 O ATOM 1092 CG2 THR A 70 7.135 0.629 3.569 1.00 0.00 C ATOM 0 H THR A 70 8.396 -3.539 4.110 1.00 0.00 H new ATOM 0 HA THR A 70 6.112 -1.729 4.283 1.00 0.00 H new ATOM 0 HB THR A 70 8.745 -0.729 3.262 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.044 0.326 5.295 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.771 1.510 3.661 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.798 0.531 2.537 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.271 0.736 4.224 1.00 0.00 H new ATOM 1100 N VAL A 71 6.048 -1.618 1.692 1.00 0.00 N ATOM 1101 CA VAL A 71 5.781 -1.902 0.284 1.00 0.00 C ATOM 1102 C VAL A 71 5.504 -0.608 -0.487 1.00 0.00 C ATOM 1103 O VAL A 71 5.153 0.409 0.109 1.00 0.00 O ATOM 1104 CB VAL A 71 4.575 -2.856 0.137 1.00 0.00 C ATOM 1105 CG1 VAL A 71 4.386 -3.288 -1.310 1.00 0.00 C ATOM 1106 CG2 VAL A 71 4.734 -4.071 1.041 1.00 0.00 C ATOM 0 H VAL A 71 5.491 -0.854 2.075 1.00 0.00 H new ATOM 0 HA VAL A 71 6.667 -2.382 -0.131 1.00 0.00 H new ATOM 0 HB VAL A 71 3.682 -2.311 0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.530 -3.959 -1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.212 -2.410 -1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.281 -3.805 -1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.873 -4.729 0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.643 -4.609 0.771 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.800 -3.746 2.079 1.00 0.00 H new ATOM 1116 N THR A 72 5.666 -0.646 -1.811 1.00 0.00 N ATOM 1117 CA THR A 72 5.431 0.536 -2.646 1.00 0.00 C ATOM 1118 C THR A 72 3.933 0.811 -2.816 1.00 0.00 C ATOM 1119 O THR A 72 3.136 -0.118 -2.958 1.00 0.00 O ATOM 1120 CB THR A 72 6.090 0.370 -4.024 1.00 0.00 C ATOM 1121 OG1 THR A 72 6.397 -0.990 -4.280 1.00 0.00 O ATOM 1122 CG2 THR A 72 7.367 1.171 -4.178 1.00 0.00 C ATOM 0 H THR A 72 5.957 -1.477 -2.327 1.00 0.00 H new ATOM 0 HA THR A 72 5.881 1.388 -2.138 1.00 0.00 H new ATOM 0 HB THR A 72 5.357 0.745 -4.738 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.678 -1.092 -5.213 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.781 1.009 -5.173 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.150 2.231 -4.044 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.090 0.851 -3.428 1.00 0.00 H new ATOM 1130 N PRO A 73 3.534 2.102 -2.810 1.00 0.00 N ATOM 1131 CA PRO A 73 2.128 2.499 -2.971 1.00 0.00 C ATOM 1132 C PRO A 73 1.620 2.276 -4.394 1.00 0.00 C ATOM 1133 O PRO A 73 0.489 1.828 -4.594 1.00 0.00 O ATOM 1134 CB PRO A 73 2.138 3.991 -2.637 1.00 0.00 C ATOM 1135 CG PRO A 73 3.524 4.444 -2.943 1.00 0.00 C ATOM 1136 CD PRO A 73 4.423 3.271 -2.655 1.00 0.00 C ATOM 0 HA PRO A 73 1.465 1.911 -2.336 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.404 4.534 -3.233 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.888 4.163 -1.590 1.00 0.00 H new ATOM 0 HG2 PRO A 73 3.611 4.755 -3.984 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.797 5.303 -2.330 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.263 3.230 -3.349 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.842 3.325 -1.650 1.00 0.00 H new ATOM 1144 N THR A 74 2.468 2.582 -5.378 1.00 0.00 N ATOM 1145 CA THR A 74 2.116 2.408 -6.789 1.00 0.00 C ATOM 1146 C THR A 74 1.816 0.942 -7.111 1.00 0.00 C ATOM 1147 O THR A 74 1.148 0.644 -8.105 1.00 0.00 O ATOM 1148 CB THR A 74 3.241 2.917 -7.695 1.00 0.00 C ATOM 1149 OG1 THR A 74 4.505 2.755 -7.074 1.00 0.00 O ATOM 1150 CG2 THR A 74 3.097 4.376 -8.066 1.00 0.00 C ATOM 0 H THR A 74 3.406 2.952 -5.223 1.00 0.00 H new ATOM 0 HA THR A 74 1.216 2.994 -6.976 1.00 0.00 H new ATOM 0 HB THR A 74 3.169 2.317 -8.603 1.00 0.00 H new ATOM 0 HG1 THR A 74 5.033 3.572 -7.190 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.926 4.672 -8.708 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.156 4.526 -8.596 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.104 4.984 -7.161 1.00 0.00 H new ATOM 1158 N TYR A 75 2.307 0.031 -6.265 1.00 0.00 N ATOM 1159 CA TYR A 75 2.084 -1.403 -6.452 1.00 0.00 C ATOM 1160 C TYR A 75 0.603 -1.710 -6.690 1.00 0.00 C ATOM 1161 O TYR A 75 0.267 -2.673 -7.378 1.00 0.00 O ATOM 1162 CB TYR A 75 2.588 -2.171 -5.226 1.00 0.00 C ATOM 1163 CG TYR A 75 2.956 -3.611 -5.507 1.00 0.00 C ATOM 1164 CD1 TYR A 75 3.915 -3.932 -6.461 1.00 0.00 C ATOM 1165 CD2 TYR A 75 2.343 -4.650 -4.818 1.00 0.00 C ATOM 1166 CE1 TYR A 75 4.256 -5.246 -6.714 1.00 0.00 C ATOM 1167 CE2 TYR A 75 2.678 -5.967 -5.069 1.00 0.00 C ATOM 1168 CZ TYR A 75 3.633 -6.259 -6.019 1.00 0.00 C ATOM 1169 OH TYR A 75 3.971 -7.569 -6.268 1.00 0.00 O ATOM 0 H TYR A 75 2.863 0.264 -5.442 1.00 0.00 H new ATOM 0 HA TYR A 75 2.639 -1.721 -7.335 1.00 0.00 H new ATOM 0 HB2 TYR A 75 3.460 -1.657 -4.822 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.818 -2.148 -4.455 1.00 0.00 H new ATOM 0 HD1 TYR A 75 4.401 -3.141 -7.013 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.593 -4.425 -4.074 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.008 -5.478 -7.454 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.194 -6.764 -4.523 1.00 0.00 H new ATOM 0 HH TYR A 75 3.440 -8.159 -5.693 1.00 0.00 H new ATOM 1179 N ILE A 76 -0.277 -0.879 -6.125 1.00 0.00 N ATOM 1180 CA ILE A 76 -1.717 -1.058 -6.284 1.00 0.00 C ATOM 1181 C ILE A 76 -2.120 -1.003 -7.758 1.00 0.00 C ATOM 1182 O ILE A 76 -2.799 -1.902 -8.253 1.00 0.00 O ATOM 1183 CB ILE A 76 -2.515 0.017 -5.513 1.00 0.00 C ATOM 1184 CG1 ILE A 76 -2.119 0.034 -4.032 1.00 0.00 C ATOM 1185 CG2 ILE A 76 -4.009 -0.221 -5.669 1.00 0.00 C ATOM 1186 CD1 ILE A 76 -2.762 -1.062 -3.208 1.00 0.00 C ATOM 0 H ILE A 76 -0.014 -0.076 -5.554 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.954 -2.040 -5.875 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.274 0.993 -5.936 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.035 -0.057 -3.956 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.389 1.000 -3.606 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.559 0.544 -5.120 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.277 -0.174 -6.725 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.264 -1.204 -5.274 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.431 -0.981 -2.173 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.846 -0.961 -3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.472 -2.034 -3.606 1.00 0.00 H new ATOM 1198 N LYS A 77 -1.696 0.052 -8.456 1.00 0.00 N ATOM 1199 CA LYS A 77 -2.013 0.212 -9.878 1.00 0.00 C ATOM 1200 C LYS A 77 -1.556 -1.007 -10.683 1.00 0.00 C ATOM 1201 O LYS A 77 -2.209 -1.399 -11.650 1.00 0.00 O ATOM 1202 CB LYS A 77 -1.358 1.479 -10.436 1.00 0.00 C ATOM 1203 CG LYS A 77 -2.324 2.383 -11.190 1.00 0.00 C ATOM 1204 CD LYS A 77 -1.921 2.547 -12.649 1.00 0.00 C ATOM 1205 CE LYS A 77 -2.761 3.609 -13.346 1.00 0.00 C ATOM 1206 NZ LYS A 77 -3.872 3.012 -14.141 1.00 0.00 N ATOM 0 H LYS A 77 -1.134 0.807 -8.062 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.095 0.302 -9.970 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.914 2.041 -9.614 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.544 1.194 -11.103 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -3.330 1.967 -11.135 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.357 3.361 -10.710 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.867 2.819 -12.708 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.034 1.595 -13.168 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -3.174 4.290 -12.602 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.124 4.202 -14.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.376 3.764 -14.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.483 2.330 -14.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.533 2.525 -13.503 1.00 0.00 H new ATOM 1220 N ALA A 78 -0.439 -1.605 -10.267 1.00 0.00 N ATOM 1221 CA ALA A 78 0.100 -2.783 -10.937 1.00 0.00 C ATOM 1222 C ALA A 78 -0.595 -4.060 -10.464 1.00 0.00 C ATOM 1223 O ALA A 78 -0.631 -5.056 -11.183 1.00 0.00 O ATOM 1224 CB ALA A 78 1.600 -2.885 -10.700 1.00 0.00 C ATOM 0 H ALA A 78 0.109 -1.290 -9.467 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.086 -2.674 -12.005 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.989 -3.769 -11.206 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.092 -1.996 -11.094 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.795 -2.964 -9.630 1.00 0.00 H new ATOM 1230 N CYS A 79 -1.149 -4.029 -9.252 1.00 0.00 N ATOM 1231 CA CYS A 79 -1.841 -5.191 -8.702 1.00 0.00 C ATOM 1232 C CYS A 79 -3.302 -5.230 -9.146 1.00 0.00 C ATOM 1233 O CYS A 79 -3.894 -6.303 -9.256 1.00 0.00 O ATOM 1234 CB CYS A 79 -1.762 -5.178 -7.176 1.00 0.00 C ATOM 1235 SG CYS A 79 -1.703 -6.822 -6.426 1.00 0.00 S ATOM 0 H CYS A 79 -1.132 -3.216 -8.636 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.347 -6.085 -9.082 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -0.876 -4.620 -6.874 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.626 -4.642 -6.783 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.524 -7.716 -7.353 1.00 0.00 H new ATOM 1241 N CYS A 80 -3.880 -4.058 -9.394 1.00 0.00 N ATOM 1242 CA CYS A 80 -5.272 -3.967 -9.821 1.00 0.00 C ATOM 1243 C CYS A 80 -5.397 -4.080 -11.341 1.00 0.00 C ATOM 1244 O CYS A 80 -6.380 -4.624 -11.849 1.00 0.00 O ATOM 1245 CB CYS A 80 -5.889 -2.650 -9.340 1.00 0.00 C ATOM 1246 SG CYS A 80 -7.662 -2.747 -8.999 1.00 0.00 S ATOM 0 H CYS A 80 -3.406 -3.159 -9.307 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.813 -4.801 -9.375 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -5.373 -2.328 -8.435 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -5.716 -1.883 -10.095 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.091 -1.587 -8.597 1.00 0.00 H new ATOM 1252 N GLN A 81 -4.404 -3.560 -12.064 1.00 0.00 N ATOM 1253 CA GLN A 81 -4.418 -3.599 -13.525 1.00 0.00 C ATOM 1254 C GLN A 81 -3.594 -4.766 -14.067 1.00 0.00 C ATOM 1255 O GLN A 81 -4.028 -5.463 -14.984 1.00 0.00 O ATOM 1256 CB GLN A 81 -3.895 -2.280 -14.100 1.00 0.00 C ATOM 1257 CG GLN A 81 -4.816 -1.098 -13.839 1.00 0.00 C ATOM 1258 CD GLN A 81 -5.613 -0.695 -15.066 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -5.884 -1.514 -15.945 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -6.000 0.574 -15.131 1.00 0.00 N ATOM 0 H GLN A 81 -3.583 -3.108 -11.662 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.452 -3.744 -13.838 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.915 -2.069 -13.671 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.755 -2.391 -15.175 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.503 -1.349 -13.031 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.223 -0.248 -13.501 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -5.755 1.221 -14.382 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -6.542 0.901 -15.930 1.00 0.00 H new ATOM 1269 N SER A 82 -2.404 -4.978 -13.502 1.00 0.00 N ATOM 1270 CA SER A 82 -1.530 -6.066 -13.949 1.00 0.00 C ATOM 1271 C SER A 82 -1.781 -7.354 -13.163 1.00 0.00 C ATOM 1272 O SER A 82 -1.401 -8.436 -13.610 1.00 0.00 O ATOM 1273 CB SER A 82 -0.056 -5.662 -13.830 1.00 0.00 C ATOM 1274 OG SER A 82 0.091 -4.252 -13.804 1.00 0.00 O ATOM 0 H SER A 82 -2.025 -4.416 -12.740 1.00 0.00 H new ATOM 0 HA SER A 82 -1.765 -6.257 -14.996 1.00 0.00 H new ATOM 0 HB2 SER A 82 0.369 -6.091 -12.922 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.505 -6.073 -14.669 1.00 0.00 H new ATOM 0 HG SER A 82 0.960 -4.021 -13.415 1.00 0.00 H new ATOM 1280 N ASN A 83 -2.419 -7.233 -11.991 1.00 0.00 N ATOM 1281 CA ASN A 83 -2.717 -8.391 -11.147 1.00 0.00 C ATOM 1282 C ASN A 83 -1.443 -8.967 -10.529 1.00 0.00 C ATOM 1283 O ASN A 83 -1.207 -8.818 -9.330 1.00 0.00 O ATOM 1284 CB ASN A 83 -3.456 -9.471 -11.947 1.00 0.00 C ATOM 1285 CG ASN A 83 -4.703 -9.963 -11.237 1.00 0.00 C ATOM 1286 OD1 ASN A 83 -4.804 -11.138 -10.882 1.00 0.00 O ATOM 1287 ND2 ASN A 83 -5.660 -9.065 -11.025 1.00 0.00 N ATOM 0 H ASN A 83 -2.738 -6.343 -11.608 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.364 -8.053 -10.338 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.730 -9.072 -12.924 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.785 -10.312 -12.123 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.521 -9.339 -10.551 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.534 -8.102 -11.336 1.00 0.00 H new ATOM 1294 N SER A 84 -0.626 -9.620 -11.355 1.00 0.00 N ATOM 1295 CA SER A 84 0.623 -10.214 -10.890 1.00 0.00 C ATOM 1296 C SER A 84 1.625 -10.341 -12.037 1.00 0.00 C ATOM 1297 O SER A 84 2.293 -11.366 -12.188 1.00 0.00 O ATOM 1298 CB SER A 84 0.355 -11.585 -10.264 1.00 0.00 C ATOM 1299 OG SER A 84 1.209 -11.821 -9.157 1.00 0.00 O ATOM 0 H SER A 84 -0.809 -9.750 -12.350 1.00 0.00 H new ATOM 0 HA SER A 84 1.053 -9.559 -10.133 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.685 -11.644 -9.943 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.502 -12.364 -11.012 1.00 0.00 H new ATOM 0 HG SER A 84 1.015 -12.703 -8.776 1.00 0.00 H new ATOM 1305 N LEU A 85 1.729 -9.285 -12.843 1.00 0.00 N ATOM 1306 CA LEU A 85 2.648 -9.267 -13.974 1.00 0.00 C ATOM 1307 C LEU A 85 4.004 -8.702 -13.563 1.00 0.00 C ATOM 1308 O LEU A 85 5.045 -9.146 -14.051 1.00 0.00 O ATOM 1309 CB LEU A 85 2.062 -8.435 -15.118 1.00 0.00 C ATOM 1310 CG LEU A 85 2.733 -8.631 -16.479 1.00 0.00 C ATOM 1311 CD1 LEU A 85 1.726 -8.435 -17.601 1.00 0.00 C ATOM 1312 CD2 LEU A 85 3.909 -7.676 -16.638 1.00 0.00 C ATOM 0 H LEU A 85 1.185 -8.429 -12.731 1.00 0.00 H new ATOM 0 HA LEU A 85 2.790 -10.293 -14.314 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.003 -8.676 -15.215 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.126 -7.381 -14.848 1.00 0.00 H new ATOM 0 HG LEU A 85 3.113 -9.651 -16.533 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.220 -8.578 -18.562 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.919 -9.160 -17.496 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.316 -7.426 -17.550 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.374 -7.830 -17.612 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.555 -6.648 -16.563 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.641 -7.866 -15.853 1.00 0.00 H new ATOM 1324 N LEU A 86 3.983 -7.716 -12.668 1.00 0.00 N ATOM 1325 CA LEU A 86 5.206 -7.083 -12.191 1.00 0.00 C ATOM 1326 C LEU A 86 5.327 -7.196 -10.672 1.00 0.00 C ATOM 1327 O LEU A 86 4.963 -6.271 -9.939 1.00 0.00 O ATOM 1328 CB LEU A 86 5.234 -5.613 -12.616 1.00 0.00 C ATOM 1329 CG LEU A 86 4.856 -5.348 -14.076 1.00 0.00 C ATOM 1330 CD1 LEU A 86 3.403 -4.908 -14.182 1.00 0.00 C ATOM 1331 CD2 LEU A 86 5.780 -4.306 -14.686 1.00 0.00 C ATOM 0 H LEU A 86 3.128 -7.339 -12.259 1.00 0.00 H new ATOM 0 HA LEU A 86 6.055 -7.601 -12.637 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.554 -5.053 -11.974 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.235 -5.220 -12.440 1.00 0.00 H new ATOM 0 HG LEU A 86 4.972 -6.276 -14.635 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.154 -4.725 -15.227 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.756 -5.691 -13.787 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.257 -3.993 -13.608 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.496 -4.131 -15.724 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.699 -3.375 -14.125 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.809 -4.664 -14.647 1.00 0.00 H new ATOM 1343 N ASN A 87 5.845 -8.332 -10.207 1.00 0.00 N ATOM 1344 CA ASN A 87 6.021 -8.567 -8.774 1.00 0.00 C ATOM 1345 C ASN A 87 7.355 -8.008 -8.286 1.00 0.00 C ATOM 1346 O ASN A 87 7.494 -7.675 -7.109 1.00 0.00 O ATOM 1347 CB ASN A 87 5.929 -10.061 -8.454 1.00 0.00 C ATOM 1348 CG ASN A 87 4.898 -10.362 -7.382 1.00 0.00 C ATOM 1349 OD1 ASN A 87 3.806 -10.853 -7.674 1.00 0.00 O ATOM 1350 ND2 ASN A 87 5.239 -10.070 -6.132 1.00 0.00 N ATOM 0 H ASN A 87 6.150 -9.103 -10.801 1.00 0.00 H new ATOM 0 HA ASN A 87 5.218 -8.047 -8.252 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.676 -10.609 -9.362 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.905 -10.420 -8.127 1.00 0.00 H new ATOM 0 HD21 ASN A 87 4.586 -10.251 -5.370 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.154 -9.664 -5.934 1.00 0.00 H new ATOM 1357 N MET A 88 8.327 -7.891 -9.194 1.00 0.00 N ATOM 1358 CA MET A 88 9.636 -7.345 -8.842 1.00 0.00 C ATOM 1359 C MET A 88 9.492 -5.921 -8.301 1.00 0.00 C ATOM 1360 O MET A 88 10.346 -5.440 -7.556 1.00 0.00 O ATOM 1361 CB MET A 88 10.572 -7.355 -10.057 1.00 0.00 C ATOM 1362 CG MET A 88 11.531 -8.538 -10.082 1.00 0.00 C ATOM 1363 SD MET A 88 13.133 -8.124 -10.799 1.00 0.00 S ATOM 1364 CE MET A 88 14.218 -9.183 -9.844 1.00 0.00 C ATOM 0 H MET A 88 8.232 -8.166 -10.172 1.00 0.00 H new ATOM 0 HA MET A 88 10.070 -7.974 -8.065 1.00 0.00 H new ATOM 0 HB2 MET A 88 9.972 -7.366 -10.967 1.00 0.00 H new ATOM 0 HB3 MET A 88 11.149 -6.430 -10.067 1.00 0.00 H new ATOM 0 HG2 MET A 88 11.677 -8.903 -9.065 1.00 0.00 H new ATOM 0 HG3 MET A 88 11.082 -9.352 -10.652 1.00 0.00 H new ATOM 0 HE1 MET A 88 15.247 -9.040 -10.172 1.00 0.00 H new ATOM 0 HE2 MET A 88 14.136 -8.930 -8.787 1.00 0.00 H new ATOM 0 HE3 MET A 88 13.932 -10.224 -9.991 1.00 0.00 H new ATOM 1374 N GLU A 89 8.397 -5.254 -8.679 1.00 0.00 N ATOM 1375 CA GLU A 89 8.130 -3.888 -8.232 1.00 0.00 C ATOM 1376 C GLU A 89 7.540 -3.844 -6.830 1.00 0.00 C ATOM 1377 O GLU A 89 7.250 -2.762 -6.318 1.00 0.00 O ATOM 1378 CB GLU A 89 7.205 -3.174 -9.221 1.00 0.00 C ATOM 1379 CG GLU A 89 7.936 -2.549 -10.400 1.00 0.00 C ATOM 1380 CD GLU A 89 8.695 -3.568 -11.229 1.00 0.00 C ATOM 1381 OE1 GLU A 89 8.127 -4.642 -11.517 1.00 0.00 O ATOM 1382 OE2 GLU A 89 9.859 -3.295 -11.584 1.00 0.00 O ATOM 0 H GLU A 89 7.682 -5.641 -9.295 1.00 0.00 H new ATOM 0 HA GLU A 89 9.088 -3.368 -8.196 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.470 -3.886 -9.597 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.654 -2.396 -8.693 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.216 -2.034 -11.036 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.633 -1.796 -10.032 1.00 0.00 H new ATOM 1389 N ASN A 90 7.396 -5.005 -6.190 1.00 0.00 N ATOM 1390 CA ASN A 90 6.883 -5.047 -4.831 1.00 0.00 C ATOM 1391 C ASN A 90 7.679 -4.076 -3.961 1.00 0.00 C ATOM 1392 O ASN A 90 7.142 -3.491 -3.018 1.00 0.00 O ATOM 1393 CB ASN A 90 6.970 -6.469 -4.265 1.00 0.00 C ATOM 1394 CG ASN A 90 8.396 -6.993 -4.186 1.00 0.00 C ATOM 1395 OD1 ASN A 90 9.237 -6.676 -5.027 1.00 0.00 O ATOM 1396 ND2 ASN A 90 8.674 -7.801 -3.171 1.00 0.00 N ATOM 0 H ASN A 90 7.626 -5.915 -6.589 1.00 0.00 H new ATOM 0 HA ASN A 90 5.834 -4.751 -4.835 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.528 -6.485 -3.269 1.00 0.00 H new ATOM 0 HB3 ASN A 90 6.377 -7.139 -4.888 1.00 0.00 H new ATOM 0 HD21 ASN A 90 9.614 -8.184 -3.067 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.948 -8.039 -2.495 1.00 0.00 H new ATOM 1403 N TYR A 91 8.964 -3.904 -4.307 1.00 0.00 N ATOM 1404 CA TYR A 91 9.852 -3.008 -3.590 1.00 0.00 C ATOM 1405 C TYR A 91 9.659 -3.148 -2.083 1.00 0.00 C ATOM 1406 O TYR A 91 9.690 -2.167 -1.339 1.00 0.00 O ATOM 1407 CB TYR A 91 9.618 -1.569 -4.052 1.00 0.00 C ATOM 1408 CG TYR A 91 10.740 -0.627 -3.684 1.00 0.00 C ATOM 1409 CD1 TYR A 91 12.034 -0.863 -4.124 1.00 0.00 C ATOM 1410 CD2 TYR A 91 10.510 0.492 -2.896 1.00 0.00 C ATOM 1411 CE1 TYR A 91 13.067 -0.014 -3.793 1.00 0.00 C ATOM 1412 CE2 TYR A 91 11.537 1.351 -2.559 1.00 0.00 C ATOM 1413 CZ TYR A 91 12.815 1.094 -3.009 1.00 0.00 C ATOM 1414 OH TYR A 91 13.842 1.949 -2.679 1.00 0.00 O ATOM 0 H TYR A 91 9.405 -4.385 -5.091 1.00 0.00 H new ATOM 0 HA TYR A 91 10.885 -3.276 -3.812 1.00 0.00 H new ATOM 0 HB2 TYR A 91 9.487 -1.560 -5.134 1.00 0.00 H new ATOM 0 HB3 TYR A 91 8.689 -1.202 -3.616 1.00 0.00 H new ATOM 0 HD1 TYR A 91 12.235 -1.729 -4.738 1.00 0.00 H new ATOM 0 HD2 TYR A 91 9.511 0.694 -2.540 1.00 0.00 H new ATOM 0 HE1 TYR A 91 14.068 -0.214 -4.145 1.00 0.00 H new ATOM 0 HE2 TYR A 91 11.341 2.219 -1.947 1.00 0.00 H new ATOM 0 HH TYR A 91 13.495 2.678 -2.124 1.00 0.00 H new ATOM 1424 N LEU A 92 9.450 -4.391 -1.651 1.00 0.00 N ATOM 1425 CA LEU A 92 9.245 -4.685 -0.234 1.00 0.00 C ATOM 1426 C LEU A 92 10.498 -4.360 0.572 1.00 0.00 C ATOM 1427 O LEU A 92 11.616 -4.654 0.142 1.00 0.00 O ATOM 1428 CB LEU A 92 8.862 -6.155 -0.026 1.00 0.00 C ATOM 1429 CG LEU A 92 7.590 -6.391 0.797 1.00 0.00 C ATOM 1430 CD1 LEU A 92 6.405 -6.669 -0.114 1.00 0.00 C ATOM 1431 CD2 LEU A 92 7.791 -7.540 1.777 1.00 0.00 C ATOM 0 H LEU A 92 9.418 -5.208 -2.260 1.00 0.00 H new ATOM 0 HA LEU A 92 8.425 -4.058 0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.735 -6.622 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.692 -6.664 0.465 1.00 0.00 H new ATOM 0 HG LEU A 92 7.380 -5.486 1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.513 -6.834 0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.245 -5.816 -0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.607 -7.557 -0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.877 -7.692 2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.029 -8.450 1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.611 -7.301 2.455 1.00 0.00 H new ATOM 1443 N VAL A 93 10.304 -3.747 1.737 1.00 0.00 N ATOM 1444 CA VAL A 93 11.413 -3.373 2.606 1.00 0.00 C ATOM 1445 C VAL A 93 11.580 -4.382 3.744 1.00 0.00 C ATOM 1446 O VAL A 93 10.802 -4.381 4.700 1.00 0.00 O ATOM 1447 CB VAL A 93 11.209 -1.962 3.199 1.00 0.00 C ATOM 1448 CG1 VAL A 93 12.444 -1.507 3.963 1.00 0.00 C ATOM 1449 CG2 VAL A 93 10.863 -0.964 2.100 1.00 0.00 C ATOM 0 H VAL A 93 9.384 -3.498 2.101 1.00 0.00 H new ATOM 0 HA VAL A 93 12.315 -3.370 1.994 1.00 0.00 H new ATOM 0 HB VAL A 93 10.376 -2.008 3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 93 12.273 -0.510 4.370 1.00 0.00 H new ATOM 0 HG12 VAL A 93 12.644 -2.202 4.778 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.300 -1.482 3.289 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.723 0.025 2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.674 -0.928 1.373 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.944 -1.274 1.603 1.00 0.00 H new ATOM 1459 N PRO A 94 12.599 -5.263 3.654 1.00 0.00 N ATOM 1460 CA PRO A 94 12.866 -6.281 4.678 1.00 0.00 C ATOM 1461 C PRO A 94 13.337 -5.669 5.994 1.00 0.00 C ATOM 1462 O PRO A 94 13.982 -4.619 6.003 1.00 0.00 O ATOM 1463 CB PRO A 94 13.982 -7.141 4.066 1.00 0.00 C ATOM 1464 CG PRO A 94 14.029 -6.766 2.624 1.00 0.00 C ATOM 1465 CD PRO A 94 13.570 -5.341 2.553 1.00 0.00 C ATOM 0 HA PRO A 94 11.966 -6.845 4.924 1.00 0.00 H new ATOM 0 HB2 PRO A 94 14.938 -6.948 4.553 1.00 0.00 H new ATOM 0 HB3 PRO A 94 13.771 -8.203 4.188 1.00 0.00 H new ATOM 0 HG2 PRO A 94 15.038 -6.871 2.226 1.00 0.00 H new ATOM 0 HG3 PRO A 94 13.384 -7.414 2.031 1.00 0.00 H new ATOM 0 HD2 PRO A 94 14.395 -4.642 2.690 1.00 0.00 H new ATOM 0 HD3 PRO A 94 13.112 -5.110 1.591 1.00 0.00 H new ATOM 1473 N TYR A 95 13.014 -6.334 7.101 1.00 0.00 N ATOM 1474 CA TYR A 95 13.407 -5.858 8.426 1.00 0.00 C ATOM 1475 C TYR A 95 13.794 -7.024 9.337 1.00 0.00 C ATOM 1476 O TYR A 95 14.912 -7.072 9.850 1.00 0.00 O ATOM 1477 CB TYR A 95 12.271 -5.046 9.056 1.00 0.00 C ATOM 1478 CG TYR A 95 12.516 -3.555 9.046 1.00 0.00 C ATOM 1479 CD1 TYR A 95 12.352 -2.810 7.883 1.00 0.00 C ATOM 1480 CD2 TYR A 95 12.911 -2.889 10.199 1.00 0.00 C ATOM 1481 CE1 TYR A 95 12.579 -1.448 7.870 1.00 0.00 C ATOM 1482 CE2 TYR A 95 13.139 -1.527 10.195 1.00 0.00 C ATOM 1483 CZ TYR A 95 12.970 -0.811 9.029 1.00 0.00 C ATOM 1484 OH TYR A 95 13.197 0.547 9.020 1.00 0.00 O ATOM 0 H TYR A 95 12.481 -7.204 7.107 1.00 0.00 H new ATOM 0 HA TYR A 95 14.280 -5.215 8.310 1.00 0.00 H new ATOM 0 HB2 TYR A 95 11.345 -5.257 8.522 1.00 0.00 H new ATOM 0 HB3 TYR A 95 12.127 -5.375 10.085 1.00 0.00 H new ATOM 0 HD1 TYR A 95 12.042 -3.305 6.975 1.00 0.00 H new ATOM 0 HD2 TYR A 95 13.042 -3.446 11.115 1.00 0.00 H new ATOM 0 HE1 TYR A 95 12.451 -0.885 6.957 1.00 0.00 H new ATOM 0 HE2 TYR A 95 13.448 -1.026 11.100 1.00 0.00 H new ATOM 0 HH TYR A 95 13.464 0.840 9.916 1.00 0.00 H new ATOM 1494 N ASP A 96 12.864 -7.960 9.526 1.00 0.00 N ATOM 1495 CA ASP A 96 13.107 -9.134 10.368 1.00 0.00 C ATOM 1496 C ASP A 96 13.954 -10.175 9.634 1.00 0.00 C ATOM 1497 O ASP A 96 14.760 -10.874 10.250 1.00 0.00 O ATOM 1498 CB ASP A 96 11.782 -9.763 10.824 1.00 0.00 C ATOM 1499 CG ASP A 96 10.807 -9.989 9.681 1.00 0.00 C ATOM 1500 OD1 ASP A 96 10.945 -11.011 8.976 1.00 0.00 O ATOM 1501 OD2 ASP A 96 9.908 -9.142 9.492 1.00 0.00 O ATOM 0 H ASP A 96 11.934 -7.929 9.108 1.00 0.00 H new ATOM 0 HA ASP A 96 13.658 -8.799 11.247 1.00 0.00 H new ATOM 0 HB2 ASP A 96 11.988 -10.716 11.312 1.00 0.00 H new ATOM 0 HB3 ASP A 96 11.317 -9.117 11.569 1.00 0.00 H new ATOM 1506 N ASN A 97 13.770 -10.272 8.315 1.00 0.00 N ATOM 1507 CA ASN A 97 14.522 -11.226 7.503 1.00 0.00 C ATOM 1508 C ASN A 97 14.428 -10.883 6.018 1.00 0.00 C ATOM 1509 O ASN A 97 15.461 -10.984 5.325 1.00 0.00 O ATOM 1510 CB ASN A 97 14.018 -12.651 7.743 1.00 0.00 C ATOM 1511 CG ASN A 97 15.126 -13.681 7.627 1.00 0.00 C ATOM 1512 OD1 ASN A 97 16.175 -13.554 8.261 1.00 0.00 O ATOM 1513 ND2 ASN A 97 14.902 -14.710 6.816 1.00 0.00 N ATOM 0 H ASN A 97 13.108 -9.702 7.789 1.00 0.00 H new ATOM 0 HA ASN A 97 15.568 -11.164 7.803 1.00 0.00 H new ATOM 0 HB2 ASN A 97 13.570 -12.713 8.735 1.00 0.00 H new ATOM 0 HB3 ASN A 97 13.233 -12.882 7.023 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.613 -15.432 6.700 1.00 0.00 H new ATOM 0 HD22 ASN A 97 14.019 -14.777 6.309 1.00 0.00 H new TER 1520 ASN A 97