USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1022 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 91 HIS : no HD1:sc= -9.03! C(o=-9.2!,f=-16!) USER MOD Set 1.2: A 94 MET CE :methyl -162:sc= -0.193 (180deg=0) USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 36 LYS NZ :NH3+ 180:sc= -0.0514 (180deg=-0.0514) USER MOD Set 3.1: A 11 ASN : amide:sc= -0.203 K(o=-0.2,f=-5.3!) USER MOD Set 3.2: A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.147 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -154:sc= -0.17 (180deg=-0.896) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.0284 K(o=-0.028,f=-1.7!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= -1.76 (180deg=-2.89!) USER MOD Single : A 30 GLN : amide:sc= -0.427 K(o=-0.43,f=-8.9!) USER MOD Single : A 33 THR OG1 : rot -142:sc= 1.13 USER MOD Single : A 35 MET CE :methyl 177:sc= 0 (180deg=-0.0107) USER MOD Single : A 39 LYS NZ :NH3+ 137:sc= 0.988 (180deg=0.0793) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 71:sc= 0.714 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 90:sc= -1.06 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc=0.000986 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc=-0.00264 K(o=-0.0026,f=-0.82) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.016 X(o=-0.016,f=0) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.432 X(o=-0.43,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 CYS SG : rot -104:sc= 1.1 USER MOD Single : A 101 THR OG1 : rot 125:sc= 0.293 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 128:sc= -0.167 (180deg=-0.238) USER MOD Single : A 107 MET CE :methyl 150:sc= -0.0455 (180deg=-0.581) USER MOD Single : A 111 MET CE :methyl -107:sc= -0.222 (180deg=-2.31) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl -114:sc= -0.683 (180deg=-3.46!) USER MOD Single : A 121 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.61) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.721 -8.335 1.981 1.00 0.00 N ATOM 2 CA GLY A 1 -22.065 -9.554 2.690 1.00 0.00 C ATOM 3 C GLY A 1 -23.558 -9.693 2.914 1.00 0.00 C ATOM 4 O GLY A 1 -24.284 -10.152 2.032 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.690 -8.287 1.853 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.186 -8.331 1.051 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.040 -7.512 2.531 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.704 -10.413 2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.554 -9.568 3.652 1.00 0.00 H new ATOM 8 N SER A 2 -24.017 -9.299 4.097 1.00 0.00 N ATOM 9 CA SER A 2 -25.433 -9.387 4.436 1.00 0.00 C ATOM 10 C SER A 2 -26.290 -8.720 3.365 1.00 0.00 C ATOM 11 O SER A 2 -27.196 -9.337 2.806 1.00 0.00 O ATOM 12 CB SER A 2 -25.695 -8.736 5.795 1.00 0.00 C ATOM 13 OG SER A 2 -25.261 -9.572 6.854 1.00 0.00 O ATOM 0 H SER A 2 -23.429 -8.916 4.837 1.00 0.00 H new ATOM 0 HA SER A 2 -25.704 -10.441 4.489 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.178 -7.778 5.848 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.760 -8.530 5.904 1.00 0.00 H new ATOM 0 HG SER A 2 -25.438 -9.132 7.712 1.00 0.00 H new ATOM 19 N SER A 3 -25.997 -7.454 3.086 1.00 0.00 N ATOM 20 CA SER A 3 -26.743 -6.699 2.085 1.00 0.00 C ATOM 21 C SER A 3 -26.062 -6.783 0.722 1.00 0.00 C ATOM 22 O SER A 3 -26.712 -7.018 -0.296 1.00 0.00 O ATOM 23 CB SER A 3 -26.875 -5.236 2.512 1.00 0.00 C ATOM 24 OG SER A 3 -27.704 -5.112 3.656 1.00 0.00 O ATOM 0 H SER A 3 -25.249 -6.929 3.539 1.00 0.00 H new ATOM 0 HA SER A 3 -27.738 -7.137 2.003 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.888 -4.826 2.728 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.291 -4.651 1.692 1.00 0.00 H new ATOM 0 HG SER A 3 -27.771 -4.168 3.910 1.00 0.00 H new ATOM 30 N GLY A 4 -24.747 -6.589 0.712 1.00 0.00 N ATOM 31 CA GLY A 4 -23.998 -6.647 -0.530 1.00 0.00 C ATOM 32 C GLY A 4 -23.063 -5.465 -0.698 1.00 0.00 C ATOM 33 O GLY A 4 -22.086 -5.329 0.038 1.00 0.00 O ATOM 0 H GLY A 4 -24.187 -6.393 1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.420 -7.571 -0.560 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.693 -6.679 -1.369 1.00 0.00 H new ATOM 37 N SER A 5 -23.361 -4.610 -1.671 1.00 0.00 N ATOM 38 CA SER A 5 -22.537 -3.437 -1.937 1.00 0.00 C ATOM 39 C SER A 5 -23.342 -2.358 -2.655 1.00 0.00 C ATOM 40 O SER A 5 -24.295 -2.656 -3.376 1.00 0.00 O ATOM 41 CB SER A 5 -21.319 -3.824 -2.778 1.00 0.00 C ATOM 42 OG SER A 5 -20.486 -4.735 -2.081 1.00 0.00 O ATOM 0 H SER A 5 -24.167 -4.708 -2.288 1.00 0.00 H new ATOM 0 HA SER A 5 -22.199 -3.037 -0.981 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.648 -4.272 -3.716 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.751 -2.930 -3.034 1.00 0.00 H new ATOM 0 HG SER A 5 -19.716 -4.968 -2.640 1.00 0.00 H new ATOM 48 N SER A 6 -22.953 -1.104 -2.451 1.00 0.00 N ATOM 49 CA SER A 6 -23.640 0.021 -3.075 1.00 0.00 C ATOM 50 C SER A 6 -23.247 0.150 -4.544 1.00 0.00 C ATOM 51 O SER A 6 -24.098 0.347 -5.410 1.00 0.00 O ATOM 52 CB SER A 6 -23.316 1.319 -2.332 1.00 0.00 C ATOM 53 OG SER A 6 -23.951 2.428 -2.944 1.00 0.00 O ATOM 0 H SER A 6 -22.166 -0.841 -1.858 1.00 0.00 H new ATOM 0 HA SER A 6 -24.713 -0.163 -3.019 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.639 1.238 -1.294 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.237 1.475 -2.319 1.00 0.00 H new ATOM 0 HG SER A 6 -23.730 3.245 -2.450 1.00 0.00 H new ATOM 59 N GLY A 7 -21.950 0.038 -4.815 1.00 0.00 N ATOM 60 CA GLY A 7 -21.466 0.146 -6.179 1.00 0.00 C ATOM 61 C GLY A 7 -20.210 0.988 -6.284 1.00 0.00 C ATOM 62 O GLY A 7 -19.793 1.618 -5.312 1.00 0.00 O ATOM 0 H GLY A 7 -21.226 -0.125 -4.115 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.265 -0.851 -6.570 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.245 0.582 -6.804 1.00 0.00 H new ATOM 66 N LYS A 8 -19.604 0.999 -7.466 1.00 0.00 N ATOM 67 CA LYS A 8 -18.388 1.769 -7.696 1.00 0.00 C ATOM 68 C LYS A 8 -18.552 2.702 -8.891 1.00 0.00 C ATOM 69 O LYS A 8 -19.486 2.557 -9.680 1.00 0.00 O ATOM 70 CB LYS A 8 -17.201 0.831 -7.926 1.00 0.00 C ATOM 71 CG LYS A 8 -17.267 0.080 -9.245 1.00 0.00 C ATOM 72 CD LYS A 8 -17.997 -1.245 -9.096 1.00 0.00 C ATOM 73 CE LYS A 8 -17.081 -2.327 -8.545 1.00 0.00 C ATOM 74 NZ LYS A 8 -15.899 -2.553 -9.422 1.00 0.00 N ATOM 0 H LYS A 8 -19.936 0.483 -8.281 1.00 0.00 H new ATOM 0 HA LYS A 8 -18.198 2.374 -6.809 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -16.279 1.411 -7.893 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.154 0.111 -7.109 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -17.774 0.694 -9.989 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.257 -0.099 -9.614 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -18.852 -1.118 -8.432 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -18.389 -1.557 -10.064 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -16.744 -2.044 -7.548 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -17.639 -3.257 -8.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -15.552 -3.525 -9.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.172 -2.411 -10.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.146 -1.881 -9.170 1.00 0.00 H new ATOM 88 N ARG A 9 -17.637 3.658 -9.021 1.00 0.00 N ATOM 89 CA ARG A 9 -17.681 4.613 -10.121 1.00 0.00 C ATOM 90 C ARG A 9 -16.727 4.201 -11.238 1.00 0.00 C ATOM 91 O ARG A 9 -15.671 3.621 -10.984 1.00 0.00 O ATOM 92 CB ARG A 9 -17.324 6.014 -9.622 1.00 0.00 C ATOM 93 CG ARG A 9 -18.372 6.620 -8.703 1.00 0.00 C ATOM 94 CD ARG A 9 -17.985 8.024 -8.266 1.00 0.00 C ATOM 95 NE ARG A 9 -18.644 8.410 -7.020 1.00 0.00 N ATOM 96 CZ ARG A 9 -19.937 8.700 -6.932 1.00 0.00 C ATOM 97 NH1 ARG A 9 -20.707 8.647 -8.010 1.00 0.00 N ATOM 98 NH2 ARG A 9 -20.463 9.043 -5.763 1.00 0.00 N ATOM 0 H ARG A 9 -16.857 3.791 -8.378 1.00 0.00 H new ATOM 0 HA ARG A 9 -18.696 4.624 -10.519 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -16.372 5.970 -9.094 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -17.182 6.671 -10.480 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -19.334 6.649 -9.215 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -18.498 5.986 -7.825 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -16.904 8.079 -8.137 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -18.248 8.734 -9.050 1.00 0.00 H new ATOM 0 HE ARG A 9 -18.080 8.459 -6.172 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -20.307 8.383 -8.910 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -21.700 8.870 -7.939 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -19.874 9.084 -4.931 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -21.456 9.266 -5.696 1.00 0.00 H new ATOM 112 N SER A 10 -17.108 4.502 -12.475 1.00 0.00 N ATOM 113 CA SER A 10 -16.288 4.159 -13.632 1.00 0.00 C ATOM 114 C SER A 10 -15.275 5.261 -13.926 1.00 0.00 C ATOM 115 O SER A 10 -14.069 5.018 -13.955 1.00 0.00 O ATOM 116 CB SER A 10 -17.173 3.924 -14.858 1.00 0.00 C ATOM 117 OG SER A 10 -17.749 2.630 -14.831 1.00 0.00 O ATOM 0 H SER A 10 -17.979 4.982 -12.702 1.00 0.00 H new ATOM 0 HA SER A 10 -15.745 3.242 -13.403 1.00 0.00 H new ATOM 0 HB2 SER A 10 -17.962 4.676 -14.891 1.00 0.00 H new ATOM 0 HB3 SER A 10 -16.581 4.043 -15.766 1.00 0.00 H new ATOM 0 HG SER A 10 -18.311 2.506 -15.624 1.00 0.00 H new ATOM 123 N ASN A 11 -15.774 6.473 -14.143 1.00 0.00 N ATOM 124 CA ASN A 11 -14.913 7.613 -14.436 1.00 0.00 C ATOM 125 C ASN A 11 -13.683 7.611 -13.533 1.00 0.00 C ATOM 126 O ASN A 11 -12.550 7.684 -14.010 1.00 0.00 O ATOM 127 CB ASN A 11 -15.686 8.922 -14.260 1.00 0.00 C ATOM 128 CG ASN A 11 -16.611 8.889 -13.058 1.00 0.00 C ATOM 129 OD1 ASN A 11 -16.160 8.902 -11.913 1.00 0.00 O ATOM 130 ND2 ASN A 11 -17.913 8.847 -13.315 1.00 0.00 N ATOM 0 H ASN A 11 -16.770 6.691 -14.122 1.00 0.00 H new ATOM 0 HA ASN A 11 -14.583 7.530 -15.472 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -14.981 9.746 -14.150 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -16.270 9.120 -15.159 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -18.584 8.824 -12.547 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -18.242 8.838 -14.280 1.00 0.00 H new ATOM 137 N SER A 12 -13.914 7.527 -12.227 1.00 0.00 N ATOM 138 CA SER A 12 -12.825 7.518 -11.257 1.00 0.00 C ATOM 139 C SER A 12 -13.047 6.441 -10.200 1.00 0.00 C ATOM 140 O SER A 12 -14.155 5.923 -10.049 1.00 0.00 O ATOM 141 CB SER A 12 -12.701 8.888 -10.586 1.00 0.00 C ATOM 142 OG SER A 12 -13.688 9.057 -9.584 1.00 0.00 O ATOM 0 H SER A 12 -14.845 7.464 -11.816 1.00 0.00 H new ATOM 0 HA SER A 12 -11.900 7.295 -11.789 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.710 8.992 -10.145 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.801 9.674 -11.335 1.00 0.00 H new ATOM 0 HG SER A 12 -13.586 9.939 -9.170 1.00 0.00 H new ATOM 148 N ILE A 13 -11.987 6.108 -9.472 1.00 0.00 N ATOM 149 CA ILE A 13 -12.066 5.093 -8.428 1.00 0.00 C ATOM 150 C ILE A 13 -11.997 5.723 -7.042 1.00 0.00 C ATOM 151 O ILE A 13 -11.161 6.589 -6.782 1.00 0.00 O ATOM 152 CB ILE A 13 -10.935 4.056 -8.565 1.00 0.00 C ATOM 153 CG1 ILE A 13 -10.969 3.413 -9.953 1.00 0.00 C ATOM 154 CG2 ILE A 13 -11.055 2.995 -7.481 1.00 0.00 C ATOM 155 CD1 ILE A 13 -9.634 2.852 -10.391 1.00 0.00 C ATOM 0 H ILE A 13 -11.063 6.526 -9.585 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.026 4.591 -8.548 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.979 4.565 -8.444 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -11.709 2.613 -9.956 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -11.299 4.155 -10.680 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -10.249 2.270 -7.591 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.987 3.467 -6.501 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.015 2.487 -7.573 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.732 2.412 -11.383 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.895 3.653 -10.421 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -9.312 2.087 -9.685 1.00 0.00 H new ATOM 167 N LYS A 14 -12.881 5.282 -6.153 1.00 0.00 N ATOM 168 CA LYS A 14 -12.920 5.800 -4.791 1.00 0.00 C ATOM 169 C LYS A 14 -12.845 4.665 -3.775 1.00 0.00 C ATOM 170 O LYS A 14 -13.569 3.675 -3.881 1.00 0.00 O ATOM 171 CB LYS A 14 -14.198 6.614 -4.569 1.00 0.00 C ATOM 172 CG LYS A 14 -14.334 7.159 -3.158 1.00 0.00 C ATOM 173 CD LYS A 14 -13.397 8.330 -2.919 1.00 0.00 C ATOM 174 CE LYS A 14 -13.616 8.949 -1.547 1.00 0.00 C ATOM 175 NZ LYS A 14 -14.708 9.961 -1.562 1.00 0.00 N ATOM 0 H LYS A 14 -13.580 4.567 -6.352 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.055 6.448 -4.650 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.217 7.445 -5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.061 5.987 -4.792 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.363 7.475 -2.987 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.120 6.368 -2.439 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.364 7.994 -3.007 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.553 9.085 -3.689 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.858 8.165 -0.829 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.692 9.417 -1.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.826 10.359 -0.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.466 10.723 -2.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.596 9.509 -1.860 1.00 0.00 H new ATOM 189 N ARG A 15 -11.966 4.816 -2.789 1.00 0.00 N ATOM 190 CA ARG A 15 -11.798 3.803 -1.754 1.00 0.00 C ATOM 191 C ARG A 15 -13.109 3.560 -1.013 1.00 0.00 C ATOM 192 O ARG A 15 -14.003 4.405 -1.019 1.00 0.00 O ATOM 193 CB ARG A 15 -10.712 4.231 -0.765 1.00 0.00 C ATOM 194 CG ARG A 15 -9.995 3.064 -0.106 1.00 0.00 C ATOM 195 CD ARG A 15 -8.827 3.537 0.746 1.00 0.00 C ATOM 196 NE ARG A 15 -9.231 3.816 2.121 1.00 0.00 N ATOM 197 CZ ARG A 15 -9.747 4.976 2.515 1.00 0.00 C ATOM 198 NH1 ARG A 15 -9.920 5.958 1.641 1.00 0.00 N ATOM 199 NH2 ARG A 15 -10.090 5.154 3.784 1.00 0.00 N ATOM 0 H ARG A 15 -11.360 5.630 -2.685 1.00 0.00 H new ATOM 0 HA ARG A 15 -11.496 2.873 -2.236 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.980 4.848 -1.286 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -11.162 4.854 0.008 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.697 2.507 0.514 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.634 2.378 -0.872 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.046 2.777 0.745 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.397 4.436 0.305 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.111 3.081 2.817 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -9.657 5.824 0.665 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.316 6.847 1.945 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.958 4.400 4.459 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.486 6.045 4.085 1.00 0.00 H new ATOM 213 N ASN A 16 -13.216 2.398 -0.376 1.00 0.00 N ATOM 214 CA ASN A 16 -14.418 2.042 0.369 1.00 0.00 C ATOM 215 C ASN A 16 -14.086 1.742 1.827 1.00 0.00 C ATOM 216 O ASN A 16 -13.667 0.639 2.179 1.00 0.00 O ATOM 217 CB ASN A 16 -15.100 0.831 -0.271 1.00 0.00 C ATOM 218 CG ASN A 16 -16.549 0.692 0.154 1.00 0.00 C ATOM 219 OD1 ASN A 16 -17.181 1.663 0.571 1.00 0.00 O ATOM 220 ND2 ASN A 16 -17.083 -0.519 0.049 1.00 0.00 N ATOM 0 H ASN A 16 -12.485 1.687 -0.361 1.00 0.00 H new ATOM 0 HA ASN A 16 -15.099 2.892 0.338 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -15.049 0.920 -1.356 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -14.556 -0.074 -0.000 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -18.054 -0.673 0.319 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -16.522 -1.295 -0.302 1.00 0.00 H new ATOM 227 N PRO A 17 -14.277 2.745 2.696 1.00 0.00 N ATOM 228 CA PRO A 17 -14.004 2.612 4.131 1.00 0.00 C ATOM 229 C PRO A 17 -14.493 1.281 4.692 1.00 0.00 C ATOM 230 O PRO A 17 -13.737 0.553 5.334 1.00 0.00 O ATOM 231 CB PRO A 17 -14.787 3.773 4.749 1.00 0.00 C ATOM 232 CG PRO A 17 -14.844 4.805 3.677 1.00 0.00 C ATOM 233 CD PRO A 17 -14.773 4.086 2.346 1.00 0.00 C ATOM 0 HA PRO A 17 -12.936 2.637 4.348 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -15.787 3.460 5.051 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.290 4.155 5.641 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.765 5.384 3.751 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.017 5.508 3.777 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -15.750 4.038 1.865 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -14.101 4.593 1.653 1.00 0.00 H new ATOM 241 N ASN A 18 -15.761 0.970 4.446 1.00 0.00 N ATOM 242 CA ASN A 18 -16.350 -0.274 4.928 1.00 0.00 C ATOM 243 C ASN A 18 -15.452 -1.464 4.600 1.00 0.00 C ATOM 244 O ASN A 18 -15.154 -2.286 5.466 1.00 0.00 O ATOM 245 CB ASN A 18 -17.735 -0.480 4.310 1.00 0.00 C ATOM 246 CG ASN A 18 -18.820 0.266 5.061 1.00 0.00 C ATOM 247 OD1 ASN A 18 -19.182 -0.102 6.179 1.00 0.00 O ATOM 248 ND2 ASN A 18 -19.344 1.321 4.449 1.00 0.00 N ATOM 0 H ASN A 18 -16.401 1.562 3.916 1.00 0.00 H new ATOM 0 HA ASN A 18 -16.450 -0.204 6.011 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -17.720 -0.146 3.272 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -17.970 -1.544 4.299 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -20.078 1.863 4.905 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -19.013 1.590 3.522 1.00 0.00 H new ATOM 255 N ALA A 19 -15.025 -1.547 3.345 1.00 0.00 N ATOM 256 CA ALA A 19 -14.159 -2.634 2.903 1.00 0.00 C ATOM 257 C ALA A 19 -13.083 -2.935 3.941 1.00 0.00 C ATOM 258 O ALA A 19 -12.085 -2.224 4.060 1.00 0.00 O ATOM 259 CB ALA A 19 -13.523 -2.291 1.564 1.00 0.00 C ATOM 0 H ALA A 19 -15.264 -0.875 2.616 1.00 0.00 H new ATOM 0 HA ALA A 19 -14.771 -3.528 2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -12.879 -3.111 1.246 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.304 -2.133 0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.930 -1.382 1.665 1.00 0.00 H new ATOM 265 N PRO A 20 -13.288 -4.014 4.711 1.00 0.00 N ATOM 266 CA PRO A 20 -12.346 -4.433 5.753 1.00 0.00 C ATOM 267 C PRO A 20 -10.904 -4.447 5.259 1.00 0.00 C ATOM 268 O PRO A 20 -10.487 -5.365 4.552 1.00 0.00 O ATOM 269 CB PRO A 20 -12.806 -5.851 6.098 1.00 0.00 C ATOM 270 CG PRO A 20 -14.261 -5.866 5.778 1.00 0.00 C ATOM 271 CD PRO A 20 -14.455 -4.907 4.625 1.00 0.00 C ATOM 0 HA PRO A 20 -12.349 -3.750 6.603 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.265 -6.596 5.514 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.629 -6.080 7.149 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.589 -6.870 5.507 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.852 -5.560 6.641 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.488 -5.431 3.670 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.390 -4.354 4.718 1.00 0.00 H new ATOM 279 N VAL A 21 -10.144 -3.422 5.635 1.00 0.00 N ATOM 280 CA VAL A 21 -8.747 -3.318 5.231 1.00 0.00 C ATOM 281 C VAL A 21 -7.952 -4.538 5.681 1.00 0.00 C ATOM 282 O VAL A 21 -7.940 -4.882 6.863 1.00 0.00 O ATOM 283 CB VAL A 21 -8.090 -2.049 5.806 1.00 0.00 C ATOM 284 CG1 VAL A 21 -6.650 -1.930 5.330 1.00 0.00 C ATOM 285 CG2 VAL A 21 -8.891 -0.814 5.421 1.00 0.00 C ATOM 0 H VAL A 21 -10.473 -2.653 6.218 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.735 -3.263 4.142 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.083 -2.125 6.893 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.203 -1.028 5.746 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.084 -2.801 5.660 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.630 -1.876 4.242 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.413 0.074 5.835 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.932 -0.731 4.335 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.903 -0.899 5.816 1.00 0.00 H new ATOM 295 N VAL A 22 -7.287 -5.188 4.732 1.00 0.00 N ATOM 296 CA VAL A 22 -6.486 -6.369 5.031 1.00 0.00 C ATOM 297 C VAL A 22 -5.272 -6.010 5.880 1.00 0.00 C ATOM 298 O VAL A 22 -4.995 -6.656 6.890 1.00 0.00 O ATOM 299 CB VAL A 22 -6.010 -7.065 3.742 1.00 0.00 C ATOM 300 CG1 VAL A 22 -5.152 -8.277 4.075 1.00 0.00 C ATOM 301 CG2 VAL A 22 -7.200 -7.465 2.882 1.00 0.00 C ATOM 0 H VAL A 22 -7.287 -4.917 3.749 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.126 -7.052 5.589 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.400 -6.362 3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.825 -8.756 3.152 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.281 -7.960 4.648 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.735 -8.985 4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.845 -7.955 1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.838 -8.151 3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.771 -6.576 2.614 1.00 0.00 H new ATOM 311 N ARG A 23 -4.551 -4.974 5.463 1.00 0.00 N ATOM 312 CA ARG A 23 -3.365 -4.529 6.184 1.00 0.00 C ATOM 313 C ARG A 23 -2.800 -3.253 5.567 1.00 0.00 C ATOM 314 O ARG A 23 -2.862 -3.059 4.352 1.00 0.00 O ATOM 315 CB ARG A 23 -2.298 -5.625 6.182 1.00 0.00 C ATOM 316 CG ARG A 23 -1.158 -5.368 7.153 1.00 0.00 C ATOM 317 CD ARG A 23 -0.037 -4.576 6.498 1.00 0.00 C ATOM 318 NE ARG A 23 1.261 -4.860 7.105 1.00 0.00 N ATOM 319 CZ ARG A 23 1.634 -4.394 8.292 1.00 0.00 C ATOM 320 NH1 ARG A 23 0.813 -3.627 8.995 1.00 0.00 N ATOM 321 NH2 ARG A 23 2.832 -4.697 8.778 1.00 0.00 N ATOM 0 H ARG A 23 -4.768 -4.427 4.630 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.655 -4.317 7.213 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.767 -6.577 6.430 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.891 -5.722 5.175 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.532 -4.823 8.019 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.768 -6.318 7.518 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.001 -4.813 5.435 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.250 -3.510 6.580 1.00 0.00 H new ATOM 0 HE ARG A 23 1.916 -5.448 6.590 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.108 -3.393 8.625 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.102 -3.271 9.906 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.466 -5.288 8.240 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.118 -4.339 9.689 1.00 0.00 H new ATOM 335 N ARG A 24 -2.250 -2.386 6.411 1.00 0.00 N ATOM 336 CA ARG A 24 -1.675 -1.129 5.948 1.00 0.00 C ATOM 337 C ARG A 24 -0.326 -0.870 6.612 1.00 0.00 C ATOM 338 O ARG A 24 -0.204 -0.928 7.835 1.00 0.00 O ATOM 339 CB ARG A 24 -2.630 0.030 6.240 1.00 0.00 C ATOM 340 CG ARG A 24 -3.195 0.014 7.651 1.00 0.00 C ATOM 341 CD ARG A 24 -3.914 1.313 7.978 1.00 0.00 C ATOM 342 NE ARG A 24 -3.982 1.553 9.417 1.00 0.00 N ATOM 343 CZ ARG A 24 -4.584 2.605 9.959 1.00 0.00 C ATOM 344 NH1 ARG A 24 -5.168 3.510 9.186 1.00 0.00 N ATOM 345 NH2 ARG A 24 -4.604 2.754 11.278 1.00 0.00 N ATOM 0 H ARG A 24 -2.191 -2.531 7.419 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.522 -1.203 4.871 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.105 0.971 6.079 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.454 -0.001 5.527 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.886 -0.822 7.758 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.388 -0.146 8.366 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.399 2.144 7.496 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.923 1.282 7.567 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.543 0.875 10.040 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.156 3.399 8.172 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.630 4.317 9.605 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.156 2.060 11.877 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.067 3.563 11.693 1.00 0.00 H new ATOM 359 N GLY A 25 0.685 -0.586 5.797 1.00 0.00 N ATOM 360 CA GLY A 25 2.011 -0.323 6.323 1.00 0.00 C ATOM 361 C GLY A 25 2.886 0.431 5.342 1.00 0.00 C ATOM 362 O GLY A 25 2.659 0.381 4.133 1.00 0.00 O ATOM 0 H GLY A 25 0.609 -0.533 4.781 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.925 0.252 7.245 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.490 -1.268 6.580 1.00 0.00 H new ATOM 366 N TRP A 26 3.886 1.133 5.862 1.00 0.00 N ATOM 367 CA TRP A 26 4.797 1.903 5.022 1.00 0.00 C ATOM 368 C TRP A 26 5.627 0.983 4.134 1.00 0.00 C ATOM 369 O TRP A 26 6.690 0.508 4.536 1.00 0.00 O ATOM 370 CB TRP A 26 5.718 2.763 5.889 1.00 0.00 C ATOM 371 CG TRP A 26 5.042 3.977 6.451 1.00 0.00 C ATOM 372 CD1 TRP A 26 4.417 4.080 7.661 1.00 0.00 C ATOM 373 CD2 TRP A 26 4.922 5.259 5.824 1.00 0.00 C ATOM 374 NE1 TRP A 26 3.915 5.349 7.824 1.00 0.00 N ATOM 375 CE2 TRP A 26 4.213 6.092 6.712 1.00 0.00 C ATOM 376 CE3 TRP A 26 5.347 5.785 4.601 1.00 0.00 C ATOM 377 CZ2 TRP A 26 3.919 7.419 6.412 1.00 0.00 C ATOM 378 CZ3 TRP A 26 5.054 7.102 4.305 1.00 0.00 C ATOM 379 CH2 TRP A 26 4.347 7.908 5.208 1.00 0.00 C ATOM 0 H TRP A 26 4.087 1.185 6.861 1.00 0.00 H new ATOM 0 HA TRP A 26 4.200 2.553 4.382 1.00 0.00 H new ATOM 0 HB2 TRP A 26 6.102 2.157 6.710 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.576 3.076 5.295 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.330 3.282 8.383 1.00 0.00 H new ATOM 0 HE1 TRP A 26 3.403 5.684 8.641 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.895 5.173 3.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 3.372 8.041 7.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 5.375 7.518 3.361 1.00 0.00 H new ATOM 0 HH2 TRP A 26 4.136 8.935 4.948 1.00 0.00 H new ATOM 390 N LEU A 27 5.137 0.736 2.924 1.00 0.00 N ATOM 391 CA LEU A 27 5.834 -0.128 1.978 1.00 0.00 C ATOM 392 C LEU A 27 6.883 0.657 1.195 1.00 0.00 C ATOM 393 O LEU A 27 6.827 1.884 1.122 1.00 0.00 O ATOM 394 CB LEU A 27 4.837 -0.771 1.013 1.00 0.00 C ATOM 395 CG LEU A 27 5.386 -1.889 0.126 1.00 0.00 C ATOM 396 CD1 LEU A 27 5.784 -3.091 0.968 1.00 0.00 C ATOM 397 CD2 LEU A 27 4.361 -2.288 -0.926 1.00 0.00 C ATOM 0 H LEU A 27 4.260 1.122 2.575 1.00 0.00 H new ATOM 0 HA LEU A 27 6.339 -0.911 2.543 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.006 -1.171 1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.430 0.009 0.370 1.00 0.00 H new ATOM 0 HG LEU A 27 6.275 -1.518 -0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.172 -3.877 0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.553 -2.796 1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.912 -3.463 1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.769 -3.085 -1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.454 -2.640 -0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.125 -1.426 -1.550 1.00 0.00 H new ATOM 409 N TYR A 28 7.836 -0.060 0.611 1.00 0.00 N ATOM 410 CA TYR A 28 8.898 0.569 -0.166 1.00 0.00 C ATOM 411 C TYR A 28 8.722 0.288 -1.655 1.00 0.00 C ATOM 412 O TYR A 28 8.563 -0.861 -2.068 1.00 0.00 O ATOM 413 CB TYR A 28 10.266 0.068 0.301 1.00 0.00 C ATOM 414 CG TYR A 28 10.528 0.306 1.771 1.00 0.00 C ATOM 415 CD1 TYR A 28 10.669 1.594 2.273 1.00 0.00 C ATOM 416 CD2 TYR A 28 10.633 -0.758 2.659 1.00 0.00 C ATOM 417 CE1 TYR A 28 10.910 1.815 3.615 1.00 0.00 C ATOM 418 CE2 TYR A 28 10.872 -0.546 4.003 1.00 0.00 C ATOM 419 CZ TYR A 28 11.010 0.742 4.476 1.00 0.00 C ATOM 420 OH TYR A 28 11.248 0.959 5.814 1.00 0.00 O ATOM 0 H TYR A 28 7.895 -1.077 0.661 1.00 0.00 H new ATOM 0 HA TYR A 28 8.840 1.646 -0.008 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.342 -1.000 0.095 1.00 0.00 H new ATOM 0 HB3 TYR A 28 11.043 0.562 -0.283 1.00 0.00 H new ATOM 0 HD1 TYR A 28 10.589 2.437 1.602 1.00 0.00 H new ATOM 0 HD2 TYR A 28 10.526 -1.768 2.292 1.00 0.00 H new ATOM 0 HE1 TYR A 28 11.020 2.823 3.988 1.00 0.00 H new ATOM 0 HE2 TYR A 28 10.950 -1.384 4.679 1.00 0.00 H new ATOM 0 HH TYR A 28 11.289 0.099 6.283 1.00 0.00 H new ATOM 430 N LYS A 29 8.754 1.346 -2.457 1.00 0.00 N ATOM 431 CA LYS A 29 8.600 1.217 -3.902 1.00 0.00 C ATOM 432 C LYS A 29 9.789 1.833 -4.632 1.00 0.00 C ATOM 433 O LYS A 29 10.403 2.783 -4.146 1.00 0.00 O ATOM 434 CB LYS A 29 7.303 1.888 -4.360 1.00 0.00 C ATOM 435 CG LYS A 29 6.807 1.395 -5.708 1.00 0.00 C ATOM 436 CD LYS A 29 5.312 1.613 -5.866 1.00 0.00 C ATOM 437 CE LYS A 29 4.999 3.036 -6.301 1.00 0.00 C ATOM 438 NZ LYS A 29 5.642 4.043 -5.412 1.00 0.00 N ATOM 0 H LYS A 29 8.885 2.304 -2.131 1.00 0.00 H new ATOM 0 HA LYS A 29 8.557 0.155 -4.145 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.530 1.714 -3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.460 2.965 -4.412 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.338 1.916 -6.505 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.034 0.334 -5.814 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.917 0.912 -6.601 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.811 1.402 -4.922 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.340 3.186 -7.325 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.920 3.187 -6.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.166 4.961 -5.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.563 3.733 -4.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.646 4.139 -5.666 1.00 0.00 H new ATOM 452 N GLN A 30 10.107 1.288 -5.802 1.00 0.00 N ATOM 453 CA GLN A 30 11.222 1.785 -6.599 1.00 0.00 C ATOM 454 C GLN A 30 11.033 3.260 -6.938 1.00 0.00 C ATOM 455 O GLN A 30 10.017 3.863 -6.589 1.00 0.00 O ATOM 456 CB GLN A 30 11.362 0.968 -7.884 1.00 0.00 C ATOM 457 CG GLN A 30 12.268 -0.244 -7.739 1.00 0.00 C ATOM 458 CD GLN A 30 13.734 0.130 -7.651 1.00 0.00 C ATOM 459 OE1 GLN A 30 14.129 1.234 -8.029 1.00 0.00 O ATOM 460 NE2 GLN A 30 14.551 -0.789 -7.150 1.00 0.00 N ATOM 0 H GLN A 30 9.608 0.502 -6.219 1.00 0.00 H new ATOM 0 HA GLN A 30 12.133 1.680 -6.010 1.00 0.00 H new ATOM 0 HB2 GLN A 30 10.374 0.636 -8.203 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.753 1.611 -8.673 1.00 0.00 H new ATOM 0 HG2 GLN A 30 11.985 -0.800 -6.845 1.00 0.00 H new ATOM 0 HG3 GLN A 30 12.117 -0.909 -8.589 1.00 0.00 H new ATOM 0 HE21 GLN A 30 14.181 -1.691 -6.849 1.00 0.00 H new ATOM 0 HE22 GLN A 30 15.549 -0.593 -7.066 1.00 0.00 H new ATOM 469 N ASP A 31 12.017 3.836 -7.620 1.00 0.00 N ATOM 470 CA ASP A 31 11.959 5.241 -8.007 1.00 0.00 C ATOM 471 C ASP A 31 12.144 5.397 -9.513 1.00 0.00 C ATOM 472 O ASP A 31 11.490 6.226 -10.146 1.00 0.00 O ATOM 473 CB ASP A 31 13.028 6.042 -7.263 1.00 0.00 C ATOM 474 CG ASP A 31 12.662 7.506 -7.122 1.00 0.00 C ATOM 475 OD1 ASP A 31 11.455 7.823 -7.176 1.00 0.00 O ATOM 476 OD2 ASP A 31 13.582 8.335 -6.959 1.00 0.00 O ATOM 0 H ASP A 31 12.864 3.352 -7.916 1.00 0.00 H new ATOM 0 HA ASP A 31 10.976 5.626 -7.738 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.177 5.611 -6.273 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.976 5.957 -7.794 1.00 0.00 H new ATOM 481 N SER A 32 13.040 4.597 -10.081 1.00 0.00 N ATOM 482 CA SER A 32 13.315 4.650 -11.512 1.00 0.00 C ATOM 483 C SER A 32 13.813 6.033 -11.918 1.00 0.00 C ATOM 484 O SER A 32 13.313 6.631 -12.872 1.00 0.00 O ATOM 485 CB SER A 32 12.058 4.293 -12.308 1.00 0.00 C ATOM 486 OG SER A 32 11.856 2.891 -12.342 1.00 0.00 O ATOM 0 H SER A 32 13.588 3.904 -9.572 1.00 0.00 H new ATOM 0 HA SER A 32 14.095 3.922 -11.735 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.190 4.778 -11.860 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.147 4.675 -13.325 1.00 0.00 H new ATOM 0 HG SER A 32 11.046 2.690 -12.855 1.00 0.00 H new ATOM 492 N THR A 33 14.803 6.538 -11.188 1.00 0.00 N ATOM 493 CA THR A 33 15.369 7.851 -11.470 1.00 0.00 C ATOM 494 C THR A 33 16.892 7.804 -11.471 1.00 0.00 C ATOM 495 O THR A 33 17.538 8.285 -10.540 1.00 0.00 O ATOM 496 CB THR A 33 14.899 8.897 -10.442 1.00 0.00 C ATOM 497 OG1 THR A 33 15.077 8.394 -9.114 1.00 0.00 O ATOM 498 CG2 THR A 33 13.436 9.254 -10.663 1.00 0.00 C ATOM 0 H THR A 33 15.229 6.057 -10.396 1.00 0.00 H new ATOM 0 HA THR A 33 15.017 8.142 -12.460 1.00 0.00 H new ATOM 0 HB THR A 33 15.500 9.797 -10.572 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.326 8.679 -8.553 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.127 9.994 -9.925 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.309 9.665 -11.665 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.823 8.359 -10.558 1.00 0.00 H new ATOM 506 N GLY A 34 17.462 7.222 -12.522 1.00 0.00 N ATOM 507 CA GLY A 34 18.906 7.125 -12.624 1.00 0.00 C ATOM 508 C GLY A 34 19.449 5.864 -11.980 1.00 0.00 C ATOM 509 O GLY A 34 20.249 5.147 -12.581 1.00 0.00 O ATOM 0 H GLY A 34 16.949 6.816 -13.305 1.00 0.00 H new ATOM 0 HA2 GLY A 34 19.195 7.146 -13.675 1.00 0.00 H new ATOM 0 HA3 GLY A 34 19.360 7.996 -12.151 1.00 0.00 H new ATOM 513 N MET A 35 19.014 5.593 -10.754 1.00 0.00 N ATOM 514 CA MET A 35 19.462 4.410 -10.029 1.00 0.00 C ATOM 515 C MET A 35 18.283 3.687 -9.386 1.00 0.00 C ATOM 516 O MET A 35 17.488 4.293 -8.666 1.00 0.00 O ATOM 517 CB MET A 35 20.483 4.798 -8.958 1.00 0.00 C ATOM 518 CG MET A 35 21.766 5.382 -9.525 1.00 0.00 C ATOM 519 SD MET A 35 22.978 5.769 -8.247 1.00 0.00 S ATOM 520 CE MET A 35 23.645 4.142 -7.909 1.00 0.00 C ATOM 0 H MET A 35 18.352 6.176 -10.242 1.00 0.00 H new ATOM 0 HA MET A 35 19.934 3.735 -10.743 1.00 0.00 H new ATOM 0 HB2 MET A 35 20.031 5.524 -8.282 1.00 0.00 H new ATOM 0 HB3 MET A 35 20.726 3.917 -8.363 1.00 0.00 H new ATOM 0 HG2 MET A 35 22.201 4.675 -10.231 1.00 0.00 H new ATOM 0 HG3 MET A 35 21.532 6.288 -10.084 1.00 0.00 H new ATOM 0 HE1 MET A 35 24.447 4.223 -7.175 1.00 0.00 H new ATOM 0 HE2 MET A 35 22.857 3.500 -7.516 1.00 0.00 H new ATOM 0 HE3 MET A 35 24.038 3.712 -8.830 1.00 0.00 H new ATOM 530 N LYS A 36 18.174 2.389 -9.649 1.00 0.00 N ATOM 531 CA LYS A 36 17.093 1.583 -9.095 1.00 0.00 C ATOM 532 C LYS A 36 17.116 1.615 -7.571 1.00 0.00 C ATOM 533 O LYS A 36 17.618 0.692 -6.928 1.00 0.00 O ATOM 534 CB LYS A 36 17.202 0.139 -9.588 1.00 0.00 C ATOM 535 CG LYS A 36 17.329 0.018 -11.096 1.00 0.00 C ATOM 536 CD LYS A 36 16.027 0.370 -11.796 1.00 0.00 C ATOM 537 CE LYS A 36 15.957 1.852 -12.130 1.00 0.00 C ATOM 538 NZ LYS A 36 15.139 2.108 -13.347 1.00 0.00 N ATOM 0 H LYS A 36 18.822 1.872 -10.243 1.00 0.00 H new ATOM 0 HA LYS A 36 16.147 2.006 -9.435 1.00 0.00 H new ATOM 0 HB2 LYS A 36 18.067 -0.331 -9.120 1.00 0.00 H new ATOM 0 HB3 LYS A 36 16.322 -0.415 -9.261 1.00 0.00 H new ATOM 0 HG2 LYS A 36 18.122 0.677 -11.449 1.00 0.00 H new ATOM 0 HG3 LYS A 36 17.620 -1.000 -11.357 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.935 -0.215 -12.711 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.185 0.099 -11.159 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.532 2.395 -11.286 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.965 2.238 -12.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.116 3.129 -13.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.559 1.611 -14.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.170 1.763 -13.193 1.00 0.00 H new ATOM 552 N LEU A 37 16.569 2.682 -6.997 1.00 0.00 N ATOM 553 CA LEU A 37 16.526 2.833 -5.547 1.00 0.00 C ATOM 554 C LEU A 37 15.101 2.672 -5.025 1.00 0.00 C ATOM 555 O LEU A 37 14.149 2.608 -5.802 1.00 0.00 O ATOM 556 CB LEU A 37 17.078 4.200 -5.140 1.00 0.00 C ATOM 557 CG LEU A 37 18.479 4.537 -5.653 1.00 0.00 C ATOM 558 CD1 LEU A 37 18.706 6.041 -5.638 1.00 0.00 C ATOM 559 CD2 LEU A 37 19.537 3.828 -4.819 1.00 0.00 C ATOM 0 H LEU A 37 16.149 3.455 -7.514 1.00 0.00 H new ATOM 0 HA LEU A 37 17.146 2.052 -5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 37 16.389 4.968 -5.493 1.00 0.00 H new ATOM 0 HB3 LEU A 37 17.088 4.256 -4.052 1.00 0.00 H new ATOM 0 HG LEU A 37 18.562 4.188 -6.682 1.00 0.00 H new ATOM 0 HD11 LEU A 37 19.708 6.261 -6.006 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.969 6.527 -6.278 1.00 0.00 H new ATOM 0 HD13 LEU A 37 18.604 6.414 -4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 37 20.528 4.079 -5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 37 19.455 4.146 -3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 37 19.387 2.750 -4.881 1.00 0.00 H new ATOM 571 N TRP A 38 14.964 2.608 -3.706 1.00 0.00 N ATOM 572 CA TRP A 38 13.656 2.457 -3.080 1.00 0.00 C ATOM 573 C TRP A 38 13.259 3.726 -2.334 1.00 0.00 C ATOM 574 O TRP A 38 14.113 4.526 -1.951 1.00 0.00 O ATOM 575 CB TRP A 38 13.661 1.267 -2.119 1.00 0.00 C ATOM 576 CG TRP A 38 14.278 0.033 -2.706 1.00 0.00 C ATOM 577 CD1 TRP A 38 15.607 -0.279 -2.746 1.00 0.00 C ATOM 578 CD2 TRP A 38 13.590 -1.052 -3.337 1.00 0.00 C ATOM 579 NE1 TRP A 38 15.786 -1.493 -3.364 1.00 0.00 N ATOM 580 CE2 TRP A 38 14.565 -1.988 -3.736 1.00 0.00 C ATOM 581 CE3 TRP A 38 12.246 -1.325 -3.603 1.00 0.00 C ATOM 582 CZ2 TRP A 38 14.235 -3.174 -4.386 1.00 0.00 C ATOM 583 CZ3 TRP A 38 11.920 -2.502 -4.249 1.00 0.00 C ATOM 584 CH2 TRP A 38 12.911 -3.415 -4.634 1.00 0.00 C ATOM 0 H TRP A 38 15.743 2.658 -3.049 1.00 0.00 H new ATOM 0 HA TRP A 38 12.924 2.276 -3.867 1.00 0.00 H new ATOM 0 HB2 TRP A 38 14.204 1.541 -1.215 1.00 0.00 H new ATOM 0 HB3 TRP A 38 12.636 1.046 -1.820 1.00 0.00 H new ATOM 0 HD1 TRP A 38 16.400 0.338 -2.350 1.00 0.00 H new ATOM 0 HE1 TRP A 38 16.684 -1.951 -3.520 1.00 0.00 H new ATOM 0 HE3 TRP A 38 11.475 -0.628 -3.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 14.997 -3.879 -4.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 10.884 -2.722 -4.461 1.00 0.00 H new ATOM 0 HH2 TRP A 38 12.624 -4.327 -5.136 1.00 0.00 H new ATOM 595 N LYS A 39 11.958 3.906 -2.131 1.00 0.00 N ATOM 596 CA LYS A 39 11.447 5.077 -1.429 1.00 0.00 C ATOM 597 C LYS A 39 10.322 4.692 -0.475 1.00 0.00 C ATOM 598 O LYS A 39 9.538 3.785 -0.756 1.00 0.00 O ATOM 599 CB LYS A 39 10.946 6.119 -2.431 1.00 0.00 C ATOM 600 CG LYS A 39 12.052 6.741 -3.267 1.00 0.00 C ATOM 601 CD LYS A 39 12.769 7.846 -2.510 1.00 0.00 C ATOM 602 CE LYS A 39 13.987 8.344 -3.273 1.00 0.00 C ATOM 603 NZ LYS A 39 13.627 9.390 -4.270 1.00 0.00 N ATOM 0 H LYS A 39 11.238 3.255 -2.443 1.00 0.00 H new ATOM 0 HA LYS A 39 12.263 5.505 -0.846 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.219 5.652 -3.095 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.423 6.908 -1.891 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.769 5.972 -3.554 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.630 7.144 -4.188 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.083 8.675 -2.337 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.077 7.478 -1.531 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.716 8.748 -2.570 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.465 7.506 -3.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.327 10.158 -4.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.618 8.973 -5.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.685 9.770 -4.049 1.00 0.00 H new ATOM 617 N LYS A 40 10.246 5.388 0.655 1.00 0.00 N ATOM 618 CA LYS A 40 9.215 5.121 1.651 1.00 0.00 C ATOM 619 C LYS A 40 7.897 5.784 1.260 1.00 0.00 C ATOM 620 O LYS A 40 7.857 6.978 0.963 1.00 0.00 O ATOM 621 CB LYS A 40 9.662 5.622 3.025 1.00 0.00 C ATOM 622 CG LYS A 40 8.870 5.028 4.177 1.00 0.00 C ATOM 623 CD LYS A 40 9.562 5.261 5.509 1.00 0.00 C ATOM 624 CE LYS A 40 8.715 4.767 6.672 1.00 0.00 C ATOM 625 NZ LYS A 40 9.329 5.099 7.987 1.00 0.00 N ATOM 0 H LYS A 40 10.887 6.142 0.904 1.00 0.00 H new ATOM 0 HA LYS A 40 9.060 4.043 1.697 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.718 5.388 3.162 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.570 6.708 3.054 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.874 5.470 4.201 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.739 3.958 4.016 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.524 4.748 5.515 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.767 6.324 5.633 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.722 5.212 6.612 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.586 3.688 6.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.721 4.745 8.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.266 4.653 8.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.429 6.131 8.073 1.00 0.00 H new ATOM 639 N ARG A 41 6.823 5.002 1.265 1.00 0.00 N ATOM 640 CA ARG A 41 5.504 5.514 0.911 1.00 0.00 C ATOM 641 C ARG A 41 4.407 4.721 1.616 1.00 0.00 C ATOM 642 O ARG A 41 4.534 3.514 1.822 1.00 0.00 O ATOM 643 CB ARG A 41 5.299 5.453 -0.604 1.00 0.00 C ATOM 644 CG ARG A 41 4.040 6.160 -1.077 1.00 0.00 C ATOM 645 CD ARG A 41 4.161 7.669 -0.934 1.00 0.00 C ATOM 646 NE ARG A 41 5.014 8.250 -1.967 1.00 0.00 N ATOM 647 CZ ARG A 41 5.362 9.531 -1.998 1.00 0.00 C ATOM 648 NH1 ARG A 41 4.934 10.361 -1.057 1.00 0.00 N ATOM 649 NH2 ARG A 41 6.142 9.985 -2.972 1.00 0.00 N ATOM 0 H ARG A 41 6.840 4.012 1.510 1.00 0.00 H new ATOM 0 HA ARG A 41 5.445 6.553 1.237 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.163 5.899 -1.097 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.258 4.409 -0.915 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.849 5.906 -2.120 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.185 5.806 -0.501 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.170 8.119 -0.987 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.567 7.909 0.049 1.00 0.00 H new ATOM 0 HE ARG A 41 5.362 7.638 -2.705 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.336 10.016 -0.306 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.203 11.345 -1.084 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.474 9.350 -3.697 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.409 10.969 -2.995 1.00 0.00 H new ATOM 663 N TRP A 42 3.331 5.408 1.983 1.00 0.00 N ATOM 664 CA TRP A 42 2.212 4.769 2.665 1.00 0.00 C ATOM 665 C TRP A 42 1.380 3.943 1.690 1.00 0.00 C ATOM 666 O TRP A 42 1.069 4.394 0.587 1.00 0.00 O ATOM 667 CB TRP A 42 1.331 5.821 3.341 1.00 0.00 C ATOM 668 CG TRP A 42 0.356 5.240 4.319 1.00 0.00 C ATOM 669 CD1 TRP A 42 -0.995 5.439 4.346 1.00 0.00 C ATOM 670 CD2 TRP A 42 0.656 4.366 5.412 1.00 0.00 C ATOM 671 NE1 TRP A 42 -1.552 4.742 5.391 1.00 0.00 N ATOM 672 CE2 TRP A 42 -0.561 4.075 6.060 1.00 0.00 C ATOM 673 CE3 TRP A 42 1.834 3.800 5.906 1.00 0.00 C ATOM 674 CZ2 TRP A 42 -0.630 3.244 7.175 1.00 0.00 C ATOM 675 CZ3 TRP A 42 1.764 2.975 7.013 1.00 0.00 C ATOM 676 CH2 TRP A 42 0.539 2.703 7.637 1.00 0.00 C ATOM 0 H TRP A 42 3.210 6.408 1.820 1.00 0.00 H new ATOM 0 HA TRP A 42 2.617 4.101 3.425 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.967 6.540 3.857 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.783 6.371 2.576 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.545 6.054 3.649 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.544 4.724 5.630 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.783 4.003 5.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.573 3.034 7.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.669 2.533 7.404 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.517 2.054 8.500 1.00 0.00 H new ATOM 687 N PHE A 43 1.022 2.731 2.102 1.00 0.00 N ATOM 688 CA PHE A 43 0.227 1.842 1.264 1.00 0.00 C ATOM 689 C PHE A 43 -0.880 1.175 2.076 1.00 0.00 C ATOM 690 O PHE A 43 -0.732 0.945 3.276 1.00 0.00 O ATOM 691 CB PHE A 43 1.119 0.776 0.624 1.00 0.00 C ATOM 692 CG PHE A 43 1.713 1.200 -0.689 1.00 0.00 C ATOM 693 CD1 PHE A 43 1.007 1.033 -1.869 1.00 0.00 C ATOM 694 CD2 PHE A 43 2.976 1.767 -0.742 1.00 0.00 C ATOM 695 CE1 PHE A 43 1.551 1.421 -3.079 1.00 0.00 C ATOM 696 CE2 PHE A 43 3.525 2.158 -1.949 1.00 0.00 C ATOM 697 CZ PHE A 43 2.811 1.986 -3.118 1.00 0.00 C ATOM 0 H PHE A 43 1.270 2.342 3.012 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.233 2.440 0.478 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.925 0.526 1.314 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.535 -0.132 0.473 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.020 0.595 -1.843 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.538 1.905 0.170 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.992 1.283 -3.993 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.511 2.597 -1.977 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.237 2.293 -4.062 1.00 0.00 H new ATOM 707 N VAL A 44 -1.989 0.867 1.411 1.00 0.00 N ATOM 708 CA VAL A 44 -3.121 0.226 2.069 1.00 0.00 C ATOM 709 C VAL A 44 -3.735 -0.852 1.182 1.00 0.00 C ATOM 710 O VAL A 44 -4.085 -0.596 0.029 1.00 0.00 O ATOM 711 CB VAL A 44 -4.209 1.251 2.440 1.00 0.00 C ATOM 712 CG1 VAL A 44 -5.479 0.544 2.888 1.00 0.00 C ATOM 713 CG2 VAL A 44 -3.705 2.195 3.521 1.00 0.00 C ATOM 0 H VAL A 44 -2.127 1.051 0.417 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.738 -0.233 2.981 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.444 1.842 1.554 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.236 1.285 3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.849 -0.087 2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.263 -0.073 3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.487 2.912 3.771 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.441 1.622 4.410 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.826 2.728 3.158 1.00 0.00 H new ATOM 723 N LEU A 45 -3.863 -2.056 1.726 1.00 0.00 N ATOM 724 CA LEU A 45 -4.435 -3.174 0.984 1.00 0.00 C ATOM 725 C LEU A 45 -5.918 -3.338 1.304 1.00 0.00 C ATOM 726 O LEU A 45 -6.282 -3.899 2.338 1.00 0.00 O ATOM 727 CB LEU A 45 -3.686 -4.467 1.312 1.00 0.00 C ATOM 728 CG LEU A 45 -3.635 -5.514 0.198 1.00 0.00 C ATOM 729 CD1 LEU A 45 -4.981 -6.205 0.053 1.00 0.00 C ATOM 730 CD2 LEU A 45 -3.218 -4.873 -1.118 1.00 0.00 C ATOM 0 H LEU A 45 -3.578 -2.284 2.679 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.332 -2.962 -0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.664 -4.211 1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.150 -4.920 2.188 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.891 -6.265 0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.925 -6.946 -0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.240 -6.698 0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.745 -5.467 -0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.187 -5.633 -1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.938 -4.101 -1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.230 -4.426 -1.008 1.00 0.00 H new ATOM 742 N SER A 46 -6.769 -2.847 0.409 1.00 0.00 N ATOM 743 CA SER A 46 -8.212 -2.937 0.597 1.00 0.00 C ATOM 744 C SER A 46 -8.921 -3.150 -0.737 1.00 0.00 C ATOM 745 O SER A 46 -8.409 -2.774 -1.792 1.00 0.00 O ATOM 746 CB SER A 46 -8.740 -1.669 1.271 1.00 0.00 C ATOM 747 OG SER A 46 -10.110 -1.805 1.610 1.00 0.00 O ATOM 0 H SER A 46 -6.484 -2.383 -0.453 1.00 0.00 H new ATOM 0 HA SER A 46 -8.417 -3.794 1.239 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.159 -1.462 2.169 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.610 -0.817 0.603 1.00 0.00 H new ATOM 0 HG SER A 46 -10.424 -0.983 2.041 1.00 0.00 H new ATOM 753 N ASP A 47 -10.102 -3.755 -0.682 1.00 0.00 N ATOM 754 CA ASP A 47 -10.884 -4.018 -1.885 1.00 0.00 C ATOM 755 C ASP A 47 -10.011 -4.630 -2.977 1.00 0.00 C ATOM 756 O ASP A 47 -10.117 -4.265 -4.148 1.00 0.00 O ATOM 757 CB ASP A 47 -11.527 -2.726 -2.393 1.00 0.00 C ATOM 758 CG ASP A 47 -12.652 -2.988 -3.375 1.00 0.00 C ATOM 759 OD1 ASP A 47 -13.594 -3.725 -3.016 1.00 0.00 O ATOM 760 OD2 ASP A 47 -12.591 -2.456 -4.504 1.00 0.00 O ATOM 0 H ASP A 47 -10.539 -4.073 0.183 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.669 -4.730 -1.631 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.912 -2.158 -1.546 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.767 -2.109 -2.872 1.00 0.00 H new ATOM 765 N LEU A 48 -9.149 -5.561 -2.585 1.00 0.00 N ATOM 766 CA LEU A 48 -8.257 -6.223 -3.530 1.00 0.00 C ATOM 767 C LEU A 48 -7.601 -5.210 -4.462 1.00 0.00 C ATOM 768 O LEU A 48 -7.490 -5.442 -5.667 1.00 0.00 O ATOM 769 CB LEU A 48 -9.027 -7.262 -4.347 1.00 0.00 C ATOM 770 CG LEU A 48 -9.765 -8.334 -3.545 1.00 0.00 C ATOM 771 CD1 LEU A 48 -8.776 -9.238 -2.825 1.00 0.00 C ATOM 772 CD2 LEU A 48 -10.724 -7.693 -2.552 1.00 0.00 C ATOM 0 H LEU A 48 -9.049 -5.875 -1.620 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.474 -6.725 -2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.752 -6.740 -4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.327 -7.758 -5.020 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.345 -8.943 -4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.320 -9.995 -2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.130 -9.725 -3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.168 -8.643 -2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.240 -8.472 -1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.165 -7.059 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.454 -7.089 -3.090 1.00 0.00 H new ATOM 784 N CYS A 49 -7.168 -4.088 -3.898 1.00 0.00 N ATOM 785 CA CYS A 49 -6.522 -3.039 -4.679 1.00 0.00 C ATOM 786 C CYS A 49 -5.443 -2.338 -3.859 1.00 0.00 C ATOM 787 O CYS A 49 -5.342 -2.535 -2.648 1.00 0.00 O ATOM 788 CB CYS A 49 -7.557 -2.022 -5.160 1.00 0.00 C ATOM 789 SG CYS A 49 -8.789 -2.703 -6.294 1.00 0.00 S ATOM 0 H CYS A 49 -7.253 -3.881 -2.903 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.050 -3.502 -5.545 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.069 -1.603 -4.294 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.040 -1.199 -5.654 1.00 0.00 H new ATOM 0 HG CYS A 49 -9.591 -3.491 -5.641 1.00 0.00 H new ATOM 795 N LEU A 50 -4.638 -1.520 -4.528 1.00 0.00 N ATOM 796 CA LEU A 50 -3.565 -0.789 -3.862 1.00 0.00 C ATOM 797 C LEU A 50 -3.903 0.694 -3.753 1.00 0.00 C ATOM 798 O LEU A 50 -4.349 1.313 -4.719 1.00 0.00 O ATOM 799 CB LEU A 50 -2.251 -0.970 -4.623 1.00 0.00 C ATOM 800 CG LEU A 50 -1.384 -2.154 -4.193 1.00 0.00 C ATOM 801 CD1 LEU A 50 -0.005 -2.065 -4.829 1.00 0.00 C ATOM 802 CD2 LEU A 50 -1.271 -2.210 -2.677 1.00 0.00 C ATOM 0 H LEU A 50 -4.708 -1.346 -5.531 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.454 -1.192 -2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.480 -1.079 -5.683 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.664 -0.058 -4.516 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.861 -3.072 -4.536 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.598 -2.916 -4.511 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.104 -2.075 -5.914 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.480 -1.140 -4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.651 -3.059 -2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.817 -1.289 -2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.264 -2.323 -2.242 1.00 0.00 H new ATOM 814 N PHE A 51 -3.685 1.260 -2.570 1.00 0.00 N ATOM 815 CA PHE A 51 -3.965 2.672 -2.335 1.00 0.00 C ATOM 816 C PHE A 51 -2.894 3.297 -1.446 1.00 0.00 C ATOM 817 O PHE A 51 -2.586 2.783 -0.370 1.00 0.00 O ATOM 818 CB PHE A 51 -5.342 2.839 -1.689 1.00 0.00 C ATOM 819 CG PHE A 51 -6.478 2.452 -2.592 1.00 0.00 C ATOM 820 CD1 PHE A 51 -6.753 3.184 -3.735 1.00 0.00 C ATOM 821 CD2 PHE A 51 -7.272 1.355 -2.296 1.00 0.00 C ATOM 822 CE1 PHE A 51 -7.798 2.829 -4.568 1.00 0.00 C ATOM 823 CE2 PHE A 51 -8.317 0.995 -3.125 1.00 0.00 C ATOM 824 CZ PHE A 51 -8.582 1.734 -4.262 1.00 0.00 C ATOM 0 H PHE A 51 -3.316 0.763 -1.760 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.958 3.184 -3.297 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.386 2.234 -0.784 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.468 3.878 -1.384 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.144 4.042 -3.979 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.071 0.775 -1.407 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.001 3.408 -5.457 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.926 0.136 -2.884 1.00 0.00 H new ATOM 0 HZ PHE A 51 -9.400 1.456 -4.910 1.00 0.00 H new ATOM 834 N TYR A 52 -2.330 4.409 -1.903 1.00 0.00 N ATOM 835 CA TYR A 52 -1.291 5.104 -1.152 1.00 0.00 C ATOM 836 C TYR A 52 -1.597 6.596 -1.052 1.00 0.00 C ATOM 837 O TYR A 52 -2.322 7.149 -1.879 1.00 0.00 O ATOM 838 CB TYR A 52 0.072 4.895 -1.812 1.00 0.00 C ATOM 839 CG TYR A 52 0.066 5.139 -3.304 1.00 0.00 C ATOM 840 CD1 TYR A 52 0.170 6.426 -3.818 1.00 0.00 C ATOM 841 CD2 TYR A 52 -0.045 4.083 -4.201 1.00 0.00 C ATOM 842 CE1 TYR A 52 0.164 6.654 -5.181 1.00 0.00 C ATOM 843 CE2 TYR A 52 -0.050 4.301 -5.565 1.00 0.00 C ATOM 844 CZ TYR A 52 0.054 5.588 -6.050 1.00 0.00 C ATOM 845 OH TYR A 52 0.048 5.810 -7.408 1.00 0.00 O ATOM 0 H TYR A 52 -2.575 4.849 -2.790 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.267 4.688 -0.145 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.798 5.562 -1.346 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.407 3.875 -1.620 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.257 7.263 -3.140 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.129 3.074 -3.825 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.245 7.661 -5.564 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.135 3.469 -6.248 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.035 4.955 -7.879 1.00 0.00 H new ATOM 855 N TYR A 53 -1.038 7.240 -0.033 1.00 0.00 N ATOM 856 CA TYR A 53 -1.251 8.667 0.177 1.00 0.00 C ATOM 857 C TYR A 53 0.072 9.385 0.421 1.00 0.00 C ATOM 858 O TYR A 53 1.127 8.756 0.506 1.00 0.00 O ATOM 859 CB TYR A 53 -2.193 8.894 1.361 1.00 0.00 C ATOM 860 CG TYR A 53 -3.396 7.978 1.363 1.00 0.00 C ATOM 861 CD1 TYR A 53 -3.246 6.603 1.488 1.00 0.00 C ATOM 862 CD2 TYR A 53 -4.682 8.488 1.239 1.00 0.00 C ATOM 863 CE1 TYR A 53 -4.342 5.762 1.489 1.00 0.00 C ATOM 864 CE2 TYR A 53 -5.784 7.655 1.240 1.00 0.00 C ATOM 865 CZ TYR A 53 -5.609 6.293 1.365 1.00 0.00 C ATOM 866 OH TYR A 53 -6.704 5.459 1.367 1.00 0.00 O ATOM 0 H TYR A 53 -0.435 6.797 0.660 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.705 9.077 -0.725 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.638 8.753 2.288 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.535 9.929 1.349 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.255 6.184 1.586 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.823 9.554 1.140 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.208 4.695 1.586 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.777 8.068 1.143 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.021 5.338 2.286 1.00 0.00 H new ATOM 876 N ARG A 54 0.008 10.708 0.533 1.00 0.00 N ATOM 877 CA ARG A 54 1.201 11.514 0.766 1.00 0.00 C ATOM 878 C ARG A 54 1.877 11.117 2.076 1.00 0.00 C ATOM 879 O ARG A 54 3.103 11.154 2.189 1.00 0.00 O ATOM 880 CB ARG A 54 0.841 13.000 0.796 1.00 0.00 C ATOM 881 CG ARG A 54 -0.307 13.330 1.737 1.00 0.00 C ATOM 882 CD ARG A 54 -1.119 14.512 1.232 1.00 0.00 C ATOM 883 NE ARG A 54 -1.953 15.091 2.281 1.00 0.00 N ATOM 884 CZ ARG A 54 -2.511 16.294 2.197 1.00 0.00 C ATOM 885 NH1 ARG A 54 -2.325 17.040 1.117 1.00 0.00 N ATOM 886 NH2 ARG A 54 -3.258 16.752 3.194 1.00 0.00 N ATOM 0 H ARG A 54 -0.857 11.244 0.466 1.00 0.00 H new ATOM 0 HA ARG A 54 1.897 11.333 -0.053 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.720 13.572 1.094 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.578 13.322 -0.212 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.955 12.460 1.841 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.087 13.555 2.728 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.445 15.275 0.842 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.750 14.191 0.403 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.116 14.542 3.125 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.753 16.691 0.348 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.754 17.963 1.055 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.404 16.180 4.026 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.686 17.676 3.128 1.00 0.00 H new ATOM 900 N ASP A 55 1.071 10.739 3.061 1.00 0.00 N ATOM 901 CA ASP A 55 1.591 10.335 4.362 1.00 0.00 C ATOM 902 C ASP A 55 0.551 9.532 5.137 1.00 0.00 C ATOM 903 O ASP A 55 -0.544 9.275 4.640 1.00 0.00 O ATOM 904 CB ASP A 55 2.011 11.564 5.171 1.00 0.00 C ATOM 905 CG ASP A 55 1.045 12.721 5.011 1.00 0.00 C ATOM 906 OD1 ASP A 55 -0.143 12.465 4.724 1.00 0.00 O ATOM 907 OD2 ASP A 55 1.476 13.882 5.173 1.00 0.00 O ATOM 0 H ASP A 55 0.055 10.704 2.984 1.00 0.00 H new ATOM 0 HA ASP A 55 2.463 9.703 4.197 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.080 11.295 6.225 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.006 11.879 4.857 1.00 0.00 H new ATOM 912 N GLU A 56 0.904 9.138 6.357 1.00 0.00 N ATOM 913 CA GLU A 56 0.001 8.362 7.200 1.00 0.00 C ATOM 914 C GLU A 56 -1.347 9.062 7.341 1.00 0.00 C ATOM 915 O GLU A 56 -2.390 8.414 7.427 1.00 0.00 O ATOM 916 CB GLU A 56 0.621 8.141 8.581 1.00 0.00 C ATOM 917 CG GLU A 56 1.077 9.424 9.256 1.00 0.00 C ATOM 918 CD GLU A 56 1.829 9.168 10.548 1.00 0.00 C ATOM 919 OE1 GLU A 56 2.874 8.485 10.500 1.00 0.00 O ATOM 920 OE2 GLU A 56 1.373 9.650 11.605 1.00 0.00 O ATOM 0 H GLU A 56 1.808 9.343 6.783 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.160 7.395 6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.107 7.642 9.221 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.473 7.469 8.484 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.716 9.982 8.572 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.209 10.050 9.463 1.00 0.00 H new ATOM 927 N LYS A 57 -1.318 10.390 7.364 1.00 0.00 N ATOM 928 CA LYS A 57 -2.537 11.180 7.495 1.00 0.00 C ATOM 929 C LYS A 57 -3.606 10.696 6.520 1.00 0.00 C ATOM 930 O LYS A 57 -4.800 10.861 6.764 1.00 0.00 O ATOM 931 CB LYS A 57 -2.238 12.661 7.247 1.00 0.00 C ATOM 932 CG LYS A 57 -1.487 13.329 8.385 1.00 0.00 C ATOM 933 CD LYS A 57 -1.770 14.820 8.441 1.00 0.00 C ATOM 934 CE LYS A 57 -0.802 15.537 9.369 1.00 0.00 C ATOM 935 NZ LYS A 57 -1.248 16.926 9.671 1.00 0.00 N ATOM 0 H LYS A 57 -0.463 10.942 7.294 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.914 11.056 8.510 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.654 12.757 6.332 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.177 13.190 7.083 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.773 12.868 9.331 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.416 13.165 8.261 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.696 15.243 7.439 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.792 14.985 8.782 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.707 14.976 10.299 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.187 15.565 8.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.561 17.381 10.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.314 17.469 8.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.180 16.899 10.131 1.00 0.00 H new ATOM 949 N GLU A 58 -3.167 10.098 5.417 1.00 0.00 N ATOM 950 CA GLU A 58 -4.088 9.590 4.407 1.00 0.00 C ATOM 951 C GLU A 58 -5.081 10.669 3.984 1.00 0.00 C ATOM 952 O GLU A 58 -6.282 10.419 3.891 1.00 0.00 O ATOM 953 CB GLU A 58 -4.841 8.369 4.939 1.00 0.00 C ATOM 954 CG GLU A 58 -4.107 7.057 4.717 1.00 0.00 C ATOM 955 CD GLU A 58 -4.668 5.926 5.555 1.00 0.00 C ATOM 956 OE1 GLU A 58 -5.320 6.213 6.580 1.00 0.00 O ATOM 957 OE2 GLU A 58 -4.454 4.752 5.186 1.00 0.00 O ATOM 0 H GLU A 58 -2.181 9.954 5.200 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.504 9.296 3.535 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.020 8.500 6.006 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.817 8.316 4.456 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.165 6.786 3.663 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.052 7.191 4.954 1.00 0.00 H new ATOM 964 N GLU A 59 -4.570 11.870 3.730 1.00 0.00 N ATOM 965 CA GLU A 59 -5.412 12.987 3.319 1.00 0.00 C ATOM 966 C GLU A 59 -5.320 13.212 1.812 1.00 0.00 C ATOM 967 O GLU A 59 -4.578 14.076 1.347 1.00 0.00 O ATOM 968 CB GLU A 59 -5.005 14.261 4.062 1.00 0.00 C ATOM 969 CG GLU A 59 -5.717 14.444 5.391 1.00 0.00 C ATOM 970 CD GLU A 59 -7.132 14.965 5.229 1.00 0.00 C ATOM 971 OE1 GLU A 59 -7.291 16.146 4.857 1.00 0.00 O ATOM 972 OE2 GLU A 59 -8.081 14.190 5.473 1.00 0.00 O ATOM 0 H GLU A 59 -3.577 12.094 3.802 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.444 12.743 3.570 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.929 14.242 4.235 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.211 15.123 3.427 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.743 13.491 5.919 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.148 15.136 6.011 1.00 0.00 H new ATOM 979 N GLY A 60 -6.080 12.426 1.055 1.00 0.00 N ATOM 980 CA GLY A 60 -6.070 12.554 -0.390 1.00 0.00 C ATOM 981 C GLY A 60 -5.154 11.545 -1.055 1.00 0.00 C ATOM 982 O GLY A 60 -3.937 11.584 -0.869 1.00 0.00 O ATOM 0 H GLY A 60 -6.702 11.703 1.417 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.084 12.426 -0.770 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.753 13.561 -0.660 1.00 0.00 H new ATOM 986 N ILE A 61 -5.739 10.639 -1.831 1.00 0.00 N ATOM 987 CA ILE A 61 -4.967 9.615 -2.524 1.00 0.00 C ATOM 988 C ILE A 61 -4.263 10.192 -3.747 1.00 0.00 C ATOM 989 O ILE A 61 -4.900 10.769 -4.630 1.00 0.00 O ATOM 990 CB ILE A 61 -5.860 8.441 -2.967 1.00 0.00 C ATOM 991 CG1 ILE A 61 -6.423 7.711 -1.745 1.00 0.00 C ATOM 992 CG2 ILE A 61 -5.074 7.481 -3.848 1.00 0.00 C ATOM 993 CD1 ILE A 61 -7.449 6.655 -2.092 1.00 0.00 C ATOM 0 H ILE A 61 -6.745 10.593 -1.996 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.222 9.249 -1.817 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.694 8.836 -3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.602 7.244 -1.201 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.877 8.440 -1.073 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.718 6.657 -4.153 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.716 8.009 -4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.223 7.089 -3.291 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.804 6.179 -1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.288 7.119 -2.609 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.994 5.905 -2.739 1.00 0.00 H new ATOM 1005 N LEU A 62 -2.945 10.033 -3.794 1.00 0.00 N ATOM 1006 CA LEU A 62 -2.152 10.536 -4.910 1.00 0.00 C ATOM 1007 C LEU A 62 -2.389 9.704 -6.166 1.00 0.00 C ATOM 1008 O LEU A 62 -2.314 10.212 -7.284 1.00 0.00 O ATOM 1009 CB LEU A 62 -0.665 10.527 -4.551 1.00 0.00 C ATOM 1010 CG LEU A 62 -0.331 10.716 -3.071 1.00 0.00 C ATOM 1011 CD1 LEU A 62 1.168 10.888 -2.880 1.00 0.00 C ATOM 1012 CD2 LEU A 62 -1.083 11.910 -2.503 1.00 0.00 C ATOM 0 H LEU A 62 -2.403 9.559 -3.072 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.464 11.561 -5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.238 9.580 -4.881 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.170 11.315 -5.118 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.645 9.823 -2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.387 11.021 -1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.686 10.003 -3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.507 11.764 -3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.833 12.029 -1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.800 12.811 -3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.156 11.747 -2.605 1.00 0.00 H new ATOM 1024 N GLY A 63 -2.678 8.420 -5.973 1.00 0.00 N ATOM 1025 CA GLY A 63 -2.924 7.538 -7.099 1.00 0.00 C ATOM 1026 C GLY A 63 -3.251 6.123 -6.665 1.00 0.00 C ATOM 1027 O GLY A 63 -2.709 5.627 -5.677 1.00 0.00 O ATOM 0 H GLY A 63 -2.746 7.976 -5.057 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.749 7.933 -7.693 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.045 7.523 -7.744 1.00 0.00 H new ATOM 1031 N SER A 64 -4.142 5.470 -7.405 1.00 0.00 N ATOM 1032 CA SER A 64 -4.546 4.105 -7.088 1.00 0.00 C ATOM 1033 C SER A 64 -3.903 3.111 -8.051 1.00 0.00 C ATOM 1034 O SER A 64 -3.576 3.455 -9.188 1.00 0.00 O ATOM 1035 CB SER A 64 -6.069 3.975 -7.144 1.00 0.00 C ATOM 1036 OG SER A 64 -6.590 4.579 -8.316 1.00 0.00 O ATOM 0 H SER A 64 -4.598 5.864 -8.228 1.00 0.00 H new ATOM 0 HA SER A 64 -4.207 3.877 -6.078 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.348 2.922 -7.119 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.510 4.443 -6.263 1.00 0.00 H new ATOM 0 HG SER A 64 -7.565 4.481 -8.329 1.00 0.00 H new ATOM 1042 N ILE A 65 -3.726 1.879 -7.588 1.00 0.00 N ATOM 1043 CA ILE A 65 -3.124 0.834 -8.408 1.00 0.00 C ATOM 1044 C ILE A 65 -3.968 -0.435 -8.388 1.00 0.00 C ATOM 1045 O ILE A 65 -4.270 -0.977 -7.323 1.00 0.00 O ATOM 1046 CB ILE A 65 -1.698 0.498 -7.933 1.00 0.00 C ATOM 1047 CG1 ILE A 65 -0.719 1.587 -8.375 1.00 0.00 C ATOM 1048 CG2 ILE A 65 -1.268 -0.859 -8.470 1.00 0.00 C ATOM 1049 CD1 ILE A 65 0.637 1.485 -7.713 1.00 0.00 C ATOM 0 H ILE A 65 -3.991 1.579 -6.650 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.077 1.219 -9.427 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.694 0.454 -6.844 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.592 1.533 -9.456 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.150 2.563 -8.154 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.258 -1.083 -8.126 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.953 -1.627 -8.109 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.285 -0.841 -9.560 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.279 2.289 -8.074 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.522 1.570 -6.632 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.089 0.523 -7.955 1.00 0.00 H new ATOM 1061 N LEU A 66 -4.345 -0.907 -9.571 1.00 0.00 N ATOM 1062 CA LEU A 66 -5.154 -2.116 -9.690 1.00 0.00 C ATOM 1063 C LEU A 66 -4.278 -3.364 -9.640 1.00 0.00 C ATOM 1064 O LEU A 66 -3.550 -3.663 -10.588 1.00 0.00 O ATOM 1065 CB LEU A 66 -5.953 -2.092 -10.995 1.00 0.00 C ATOM 1066 CG LEU A 66 -7.337 -1.446 -10.922 1.00 0.00 C ATOM 1067 CD1 LEU A 66 -8.196 -2.142 -9.877 1.00 0.00 C ATOM 1068 CD2 LEU A 66 -7.217 0.039 -10.614 1.00 0.00 C ATOM 0 H LEU A 66 -4.104 -0.472 -10.461 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.845 -2.146 -8.848 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.367 -1.564 -11.747 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.071 -3.118 -11.345 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.821 -1.557 -11.893 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.177 -1.669 -9.839 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.310 -3.193 -10.141 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.717 -2.063 -8.901 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.212 0.482 -10.566 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.714 0.172 -9.656 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.640 0.528 -11.399 1.00 0.00 H new ATOM 1080 N LEU A 67 -4.354 -4.089 -8.530 1.00 0.00 N ATOM 1081 CA LEU A 67 -3.570 -5.307 -8.356 1.00 0.00 C ATOM 1082 C LEU A 67 -4.054 -6.405 -9.298 1.00 0.00 C ATOM 1083 O LEU A 67 -3.264 -7.124 -9.910 1.00 0.00 O ATOM 1084 CB LEU A 67 -3.654 -5.789 -6.907 1.00 0.00 C ATOM 1085 CG LEU A 67 -2.660 -5.158 -5.931 1.00 0.00 C ATOM 1086 CD1 LEU A 67 -3.016 -5.520 -4.498 1.00 0.00 C ATOM 1087 CD2 LEU A 67 -1.240 -5.597 -6.257 1.00 0.00 C ATOM 0 H LEU A 67 -4.951 -3.855 -7.737 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.532 -5.079 -8.597 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.663 -5.600 -6.540 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.508 -6.869 -6.895 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.717 -4.074 -6.035 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.298 -5.062 -3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.017 -5.155 -4.268 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.989 -6.603 -4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.546 -5.138 -5.552 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.168 -6.682 -6.182 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.986 -5.286 -7.270 1.00 0.00 H new ATOM 1099 N PRO A 68 -5.383 -6.537 -9.420 1.00 0.00 N ATOM 1100 CA PRO A 68 -6.002 -7.544 -10.287 1.00 0.00 C ATOM 1101 C PRO A 68 -5.387 -7.564 -11.682 1.00 0.00 C ATOM 1102 O PRO A 68 -5.430 -8.580 -12.376 1.00 0.00 O ATOM 1103 CB PRO A 68 -7.466 -7.101 -10.355 1.00 0.00 C ATOM 1104 CG PRO A 68 -7.691 -6.343 -9.093 1.00 0.00 C ATOM 1105 CD PRO A 68 -6.384 -5.715 -8.720 1.00 0.00 C ATOM 0 HA PRO A 68 -5.865 -8.554 -9.901 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.651 -6.477 -11.230 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.136 -7.958 -10.427 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.459 -5.582 -9.232 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.040 -7.007 -8.302 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.337 -4.673 -9.036 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.228 -5.728 -7.641 1.00 0.00 H new ATOM 1113 N SER A 69 -4.813 -6.435 -12.088 1.00 0.00 N ATOM 1114 CA SER A 69 -4.192 -6.323 -13.402 1.00 0.00 C ATOM 1115 C SER A 69 -2.695 -6.606 -13.321 1.00 0.00 C ATOM 1116 O SER A 69 -2.060 -6.946 -14.320 1.00 0.00 O ATOM 1117 CB SER A 69 -4.427 -4.928 -13.983 1.00 0.00 C ATOM 1118 OG SER A 69 -5.789 -4.743 -14.331 1.00 0.00 O ATOM 0 H SER A 69 -4.766 -5.586 -11.525 1.00 0.00 H new ATOM 0 HA SER A 69 -4.650 -7.064 -14.057 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.128 -4.173 -13.256 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.801 -4.787 -14.864 1.00 0.00 H new ATOM 0 HG SER A 69 -5.913 -3.843 -14.698 1.00 0.00 H new ATOM 1124 N PHE A 70 -2.136 -6.463 -12.123 1.00 0.00 N ATOM 1125 CA PHE A 70 -0.713 -6.702 -11.910 1.00 0.00 C ATOM 1126 C PHE A 70 -0.436 -8.189 -11.707 1.00 0.00 C ATOM 1127 O PHE A 70 -1.344 -8.965 -11.410 1.00 0.00 O ATOM 1128 CB PHE A 70 -0.217 -5.909 -10.699 1.00 0.00 C ATOM 1129 CG PHE A 70 0.288 -4.538 -11.047 1.00 0.00 C ATOM 1130 CD1 PHE A 70 1.493 -4.378 -11.711 1.00 0.00 C ATOM 1131 CD2 PHE A 70 -0.442 -3.410 -10.710 1.00 0.00 C ATOM 1132 CE1 PHE A 70 1.961 -3.117 -12.032 1.00 0.00 C ATOM 1133 CE2 PHE A 70 0.020 -2.147 -11.028 1.00 0.00 C ATOM 1134 CZ PHE A 70 1.223 -2.001 -11.691 1.00 0.00 C ATOM 0 H PHE A 70 -2.647 -6.183 -11.286 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.177 -6.368 -12.798 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.029 -5.816 -9.978 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.581 -6.468 -10.210 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.074 -5.248 -11.981 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.384 -3.519 -10.192 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.903 -3.005 -12.549 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.558 -1.276 -10.759 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.586 -1.015 -11.942 1.00 0.00 H new ATOM 1144 N GLN A 71 0.824 -8.577 -11.869 1.00 0.00 N ATOM 1145 CA GLN A 71 1.221 -9.971 -11.705 1.00 0.00 C ATOM 1146 C GLN A 71 2.385 -10.094 -10.727 1.00 0.00 C ATOM 1147 O GLN A 71 3.511 -9.701 -11.035 1.00 0.00 O ATOM 1148 CB GLN A 71 1.608 -10.576 -13.056 1.00 0.00 C ATOM 1149 CG GLN A 71 2.621 -11.704 -12.949 1.00 0.00 C ATOM 1150 CD GLN A 71 2.654 -12.577 -14.188 1.00 0.00 C ATOM 1151 OE1 GLN A 71 2.105 -12.218 -15.229 1.00 0.00 O ATOM 1152 NE2 GLN A 71 3.301 -13.732 -14.081 1.00 0.00 N ATOM 0 H GLN A 71 1.588 -7.947 -12.114 1.00 0.00 H new ATOM 0 HA GLN A 71 0.370 -10.519 -11.300 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.710 -10.950 -13.548 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.016 -9.791 -13.693 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.612 -11.283 -12.779 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.384 -12.320 -12.081 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.742 -13.990 -13.198 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.357 -14.361 -14.882 1.00 0.00 H new ATOM 1161 N ILE A 72 2.107 -10.640 -9.549 1.00 0.00 N ATOM 1162 CA ILE A 72 3.131 -10.815 -8.527 1.00 0.00 C ATOM 1163 C ILE A 72 3.983 -12.049 -8.808 1.00 0.00 C ATOM 1164 O ILE A 72 3.471 -13.165 -8.883 1.00 0.00 O ATOM 1165 CB ILE A 72 2.510 -10.943 -7.123 1.00 0.00 C ATOM 1166 CG1 ILE A 72 1.230 -10.111 -7.031 1.00 0.00 C ATOM 1167 CG2 ILE A 72 3.509 -10.508 -6.061 1.00 0.00 C ATOM 1168 CD1 ILE A 72 1.398 -8.686 -7.510 1.00 0.00 C ATOM 0 H ILE A 72 1.180 -10.969 -9.278 1.00 0.00 H new ATOM 0 HA ILE A 72 3.761 -9.926 -8.557 1.00 0.00 H new ATOM 0 HB ILE A 72 2.255 -11.988 -6.948 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.450 -10.594 -7.620 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.888 -10.100 -5.996 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.056 -10.604 -5.074 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.396 -11.139 -6.116 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.792 -9.469 -6.231 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.450 -8.156 -7.416 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.155 -8.186 -6.906 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.710 -8.688 -8.554 1.00 0.00 H new ATOM 1180 N ALA A 73 5.286 -11.838 -8.961 1.00 0.00 N ATOM 1181 CA ALA A 73 6.210 -12.933 -9.229 1.00 0.00 C ATOM 1182 C ALA A 73 7.566 -12.679 -8.579 1.00 0.00 C ATOM 1183 O ALA A 73 8.054 -11.548 -8.558 1.00 0.00 O ATOM 1184 CB ALA A 73 6.371 -13.133 -10.729 1.00 0.00 C ATOM 0 H ALA A 73 5.725 -10.919 -8.904 1.00 0.00 H new ATOM 0 HA ALA A 73 5.793 -13.842 -8.795 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.064 -13.954 -10.914 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.403 -13.369 -11.171 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.762 -12.220 -11.178 1.00 0.00 H new ATOM 1190 N LEU A 74 8.171 -13.737 -8.050 1.00 0.00 N ATOM 1191 CA LEU A 74 9.471 -13.629 -7.398 1.00 0.00 C ATOM 1192 C LEU A 74 10.544 -13.193 -8.392 1.00 0.00 C ATOM 1193 O LEU A 74 10.605 -13.695 -9.515 1.00 0.00 O ATOM 1194 CB LEU A 74 9.860 -14.966 -6.765 1.00 0.00 C ATOM 1195 CG LEU A 74 9.229 -15.274 -5.407 1.00 0.00 C ATOM 1196 CD1 LEU A 74 9.837 -14.395 -4.325 1.00 0.00 C ATOM 1197 CD2 LEU A 74 7.720 -15.086 -5.464 1.00 0.00 C ATOM 0 H LEU A 74 7.782 -14.680 -8.060 1.00 0.00 H new ATOM 0 HA LEU A 74 9.396 -12.873 -6.617 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.592 -15.764 -7.457 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.944 -14.991 -6.654 1.00 0.00 H new ATOM 0 HG LEU A 74 9.436 -16.315 -5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.376 -14.628 -3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.910 -14.579 -4.267 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.662 -13.347 -4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.288 -15.310 -4.488 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.492 -14.055 -5.734 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.297 -15.759 -6.211 1.00 0.00 H new ATOM 1209 N LEU A 75 11.388 -12.258 -7.970 1.00 0.00 N ATOM 1210 CA LEU A 75 12.460 -11.756 -8.822 1.00 0.00 C ATOM 1211 C LEU A 75 13.298 -12.903 -9.377 1.00 0.00 C ATOM 1212 O LEU A 75 13.174 -14.047 -8.937 1.00 0.00 O ATOM 1213 CB LEU A 75 13.352 -10.791 -8.038 1.00 0.00 C ATOM 1214 CG LEU A 75 12.637 -9.631 -7.343 1.00 0.00 C ATOM 1215 CD1 LEU A 75 13.610 -8.849 -6.474 1.00 0.00 C ATOM 1216 CD2 LEU A 75 11.983 -8.717 -8.369 1.00 0.00 C ATOM 0 H LEU A 75 11.351 -11.833 -7.044 1.00 0.00 H new ATOM 0 HA LEU A 75 12.006 -11.224 -9.658 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.895 -11.361 -7.284 1.00 0.00 H new ATOM 0 HB3 LEU A 75 14.094 -10.377 -8.721 1.00 0.00 H new ATOM 0 HG LEU A 75 11.857 -10.041 -6.701 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.084 -8.028 -5.987 1.00 0.00 H new ATOM 0 HD12 LEU A 75 14.032 -9.509 -5.716 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.412 -8.449 -7.095 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.479 -7.897 -7.857 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.745 -8.314 -9.036 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.256 -9.284 -8.950 1.00 0.00 H new ATOM 1228 N THR A 76 14.154 -12.591 -10.345 1.00 0.00 N ATOM 1229 CA THR A 76 15.014 -13.595 -10.959 1.00 0.00 C ATOM 1230 C THR A 76 16.312 -12.974 -11.461 1.00 0.00 C ATOM 1231 O THR A 76 16.493 -11.758 -11.404 1.00 0.00 O ATOM 1232 CB THR A 76 14.306 -14.297 -12.133 1.00 0.00 C ATOM 1233 OG1 THR A 76 13.775 -13.323 -13.038 1.00 0.00 O ATOM 1234 CG2 THR A 76 13.186 -15.195 -11.631 1.00 0.00 C ATOM 0 H THR A 76 14.270 -11.650 -10.721 1.00 0.00 H new ATOM 0 HA THR A 76 15.242 -14.331 -10.188 1.00 0.00 H new ATOM 0 HB THR A 76 15.038 -14.914 -12.653 1.00 0.00 H new ATOM 0 HG1 THR A 76 13.328 -13.777 -13.782 1.00 0.00 H new ATOM 0 HG21 THR A 76 12.701 -15.680 -12.478 1.00 0.00 H new ATOM 0 HG22 THR A 76 13.598 -15.954 -10.966 1.00 0.00 H new ATOM 0 HG23 THR A 76 12.455 -14.596 -11.088 1.00 0.00 H new ATOM 1242 N SER A 77 17.215 -13.817 -11.952 1.00 0.00 N ATOM 1243 CA SER A 77 18.499 -13.351 -12.461 1.00 0.00 C ATOM 1244 C SER A 77 18.307 -12.208 -13.453 1.00 0.00 C ATOM 1245 O SER A 77 19.208 -11.395 -13.661 1.00 0.00 O ATOM 1246 CB SER A 77 19.254 -14.501 -13.131 1.00 0.00 C ATOM 1247 OG SER A 77 20.498 -14.062 -13.647 1.00 0.00 O ATOM 0 H SER A 77 17.081 -14.827 -12.008 1.00 0.00 H new ATOM 0 HA SER A 77 19.084 -12.984 -11.618 1.00 0.00 H new ATOM 0 HB2 SER A 77 19.418 -15.302 -12.410 1.00 0.00 H new ATOM 0 HB3 SER A 77 18.649 -14.917 -13.937 1.00 0.00 H new ATOM 0 HG SER A 77 20.962 -14.816 -14.069 1.00 0.00 H new ATOM 1253 N GLU A 78 17.127 -12.152 -14.062 1.00 0.00 N ATOM 1254 CA GLU A 78 16.817 -11.109 -15.033 1.00 0.00 C ATOM 1255 C GLU A 78 16.867 -9.729 -14.383 1.00 0.00 C ATOM 1256 O GLU A 78 17.459 -8.797 -14.927 1.00 0.00 O ATOM 1257 CB GLU A 78 15.436 -11.347 -15.646 1.00 0.00 C ATOM 1258 CG GLU A 78 15.463 -12.223 -16.887 1.00 0.00 C ATOM 1259 CD GLU A 78 14.080 -12.679 -17.310 1.00 0.00 C ATOM 1260 OE1 GLU A 78 13.428 -11.951 -18.087 1.00 0.00 O ATOM 1261 OE2 GLU A 78 13.651 -13.764 -16.864 1.00 0.00 O ATOM 0 H GLU A 78 16.370 -12.816 -13.900 1.00 0.00 H new ATOM 0 HA GLU A 78 17.568 -11.147 -15.822 1.00 0.00 H new ATOM 0 HB2 GLU A 78 14.791 -11.810 -14.899 1.00 0.00 H new ATOM 0 HB3 GLU A 78 14.990 -10.385 -15.900 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.926 -11.672 -17.706 1.00 0.00 H new ATOM 0 HG3 GLU A 78 16.087 -13.096 -16.697 1.00 0.00 H new ATOM 1268 N ASP A 79 16.242 -9.608 -13.217 1.00 0.00 N ATOM 1269 CA ASP A 79 16.215 -8.343 -12.492 1.00 0.00 C ATOM 1270 C ASP A 79 17.624 -7.912 -12.099 1.00 0.00 C ATOM 1271 O ASP A 79 18.446 -8.735 -11.693 1.00 0.00 O ATOM 1272 CB ASP A 79 15.338 -8.465 -11.245 1.00 0.00 C ATOM 1273 CG ASP A 79 15.123 -7.131 -10.557 1.00 0.00 C ATOM 1274 OD1 ASP A 79 15.021 -6.107 -11.264 1.00 0.00 O ATOM 1275 OD2 ASP A 79 15.056 -7.112 -9.310 1.00 0.00 O ATOM 0 H ASP A 79 15.747 -10.370 -12.754 1.00 0.00 H new ATOM 0 HA ASP A 79 15.793 -7.583 -13.150 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.372 -8.887 -11.523 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.801 -9.161 -10.545 1.00 0.00 H new ATOM 1280 N HIS A 80 17.898 -6.617 -12.222 1.00 0.00 N ATOM 1281 CA HIS A 80 19.208 -6.077 -11.879 1.00 0.00 C ATOM 1282 C HIS A 80 19.241 -5.610 -10.427 1.00 0.00 C ATOM 1283 O HIS A 80 19.970 -4.681 -10.080 1.00 0.00 O ATOM 1284 CB HIS A 80 19.563 -4.915 -12.808 1.00 0.00 C ATOM 1285 CG HIS A 80 20.133 -5.352 -14.122 1.00 0.00 C ATOM 1286 ND1 HIS A 80 20.874 -4.521 -14.935 1.00 0.00 N ATOM 1287 CD2 HIS A 80 20.069 -6.543 -14.763 1.00 0.00 C ATOM 1288 CE1 HIS A 80 21.240 -5.180 -16.020 1.00 0.00 C ATOM 1289 NE2 HIS A 80 20.764 -6.410 -15.940 1.00 0.00 N ATOM 0 H HIS A 80 17.230 -5.923 -12.557 1.00 0.00 H new ATOM 0 HA HIS A 80 19.944 -6.871 -12.004 1.00 0.00 H new ATOM 0 HB2 HIS A 80 18.668 -4.319 -12.989 1.00 0.00 H new ATOM 0 HB3 HIS A 80 20.282 -4.267 -12.307 1.00 0.00 H new ATOM 0 HD2 HIS A 80 19.565 -7.432 -14.414 1.00 0.00 H new ATOM 0 HE1 HIS A 80 21.828 -4.781 -16.834 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.892 -7.142 -16.639 1.00 0.00 H new ATOM 1298 N ILE A 81 18.446 -6.260 -9.584 1.00 0.00 N ATOM 1299 CA ILE A 81 18.384 -5.911 -8.170 1.00 0.00 C ATOM 1300 C ILE A 81 18.871 -7.064 -7.298 1.00 0.00 C ATOM 1301 O ILE A 81 18.612 -8.230 -7.592 1.00 0.00 O ATOM 1302 CB ILE A 81 16.954 -5.530 -7.746 1.00 0.00 C ATOM 1303 CG1 ILE A 81 16.260 -4.744 -8.861 1.00 0.00 C ATOM 1304 CG2 ILE A 81 16.982 -4.720 -6.458 1.00 0.00 C ATOM 1305 CD1 ILE A 81 14.764 -4.622 -8.673 1.00 0.00 C ATOM 0 H ILE A 81 17.836 -7.031 -9.855 1.00 0.00 H new ATOM 0 HA ILE A 81 19.037 -5.050 -8.028 1.00 0.00 H new ATOM 0 HB ILE A 81 16.388 -6.444 -7.566 1.00 0.00 H new ATOM 0 HG12 ILE A 81 16.694 -3.746 -8.915 1.00 0.00 H new ATOM 0 HG13 ILE A 81 16.460 -5.230 -9.816 1.00 0.00 H new ATOM 0 HG21 ILE A 81 15.964 -4.458 -6.171 1.00 0.00 H new ATOM 0 HG22 ILE A 81 17.442 -5.311 -5.666 1.00 0.00 H new ATOM 0 HG23 ILE A 81 17.561 -3.810 -6.613 1.00 0.00 H new ATOM 0 HD11 ILE A 81 14.339 -4.053 -9.500 1.00 0.00 H new ATOM 0 HD12 ILE A 81 14.318 -5.616 -8.649 1.00 0.00 H new ATOM 0 HD13 ILE A 81 14.556 -4.108 -7.734 1.00 0.00 H new ATOM 1317 N ASN A 82 19.576 -6.728 -6.222 1.00 0.00 N ATOM 1318 CA ASN A 82 20.098 -7.736 -5.306 1.00 0.00 C ATOM 1319 C ASN A 82 19.521 -7.548 -3.906 1.00 0.00 C ATOM 1320 O ASN A 82 20.233 -7.666 -2.909 1.00 0.00 O ATOM 1321 CB ASN A 82 21.625 -7.665 -5.253 1.00 0.00 C ATOM 1322 CG ASN A 82 22.268 -8.089 -6.560 1.00 0.00 C ATOM 1323 OD1 ASN A 82 22.220 -7.363 -7.553 1.00 0.00 O ATOM 1324 ND2 ASN A 82 22.874 -9.271 -6.564 1.00 0.00 N ATOM 0 H ASN A 82 19.799 -5.767 -5.963 1.00 0.00 H new ATOM 0 HA ASN A 82 19.799 -8.717 -5.675 1.00 0.00 H new ATOM 0 HB2 ASN A 82 21.931 -6.646 -5.014 1.00 0.00 H new ATOM 0 HB3 ASN A 82 21.988 -8.304 -4.448 1.00 0.00 H new ATOM 0 HD21 ASN A 82 23.324 -9.610 -7.414 1.00 0.00 H new ATOM 0 HD22 ASN A 82 22.889 -9.839 -5.717 1.00 0.00 H new ATOM 1331 N ARG A 83 18.226 -7.257 -3.840 1.00 0.00 N ATOM 1332 CA ARG A 83 17.553 -7.053 -2.562 1.00 0.00 C ATOM 1333 C ARG A 83 16.892 -8.343 -2.084 1.00 0.00 C ATOM 1334 O ARG A 83 16.369 -9.119 -2.883 1.00 0.00 O ATOM 1335 CB ARG A 83 16.504 -5.946 -2.685 1.00 0.00 C ATOM 1336 CG ARG A 83 16.241 -5.209 -1.382 1.00 0.00 C ATOM 1337 CD ARG A 83 17.441 -4.377 -0.960 1.00 0.00 C ATOM 1338 NE ARG A 83 18.363 -5.133 -0.117 1.00 0.00 N ATOM 1339 CZ ARG A 83 19.644 -4.818 0.039 1.00 0.00 C ATOM 1340 NH1 ARG A 83 20.152 -3.766 -0.588 1.00 0.00 N ATOM 1341 NH2 ARG A 83 20.419 -5.556 0.823 1.00 0.00 N ATOM 0 H ARG A 83 17.622 -7.157 -4.656 1.00 0.00 H new ATOM 0 HA ARG A 83 18.302 -6.755 -1.829 1.00 0.00 H new ATOM 0 HB2 ARG A 83 16.831 -5.229 -3.438 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.570 -6.380 -3.042 1.00 0.00 H new ATOM 0 HG2 ARG A 83 15.371 -4.562 -1.498 1.00 0.00 H new ATOM 0 HG3 ARG A 83 16.002 -5.928 -0.598 1.00 0.00 H new ATOM 0 HD2 ARG A 83 17.967 -4.024 -1.847 1.00 0.00 H new ATOM 0 HD3 ARG A 83 17.098 -3.494 -0.421 1.00 0.00 H new ATOM 0 HE ARG A 83 18.003 -5.948 0.380 1.00 0.00 H new ATOM 0 HH11 ARG A 83 19.559 -3.197 -1.192 1.00 0.00 H new ATOM 0 HH12 ARG A 83 21.136 -3.526 -0.467 1.00 0.00 H new ATOM 0 HH21 ARG A 83 20.031 -6.366 1.307 1.00 0.00 H new ATOM 0 HH22 ARG A 83 21.403 -5.313 0.942 1.00 0.00 H new ATOM 1355 N LYS A 84 16.921 -8.565 -0.774 1.00 0.00 N ATOM 1356 CA LYS A 84 16.325 -9.759 -0.187 1.00 0.00 C ATOM 1357 C LYS A 84 14.818 -9.590 -0.021 1.00 0.00 C ATOM 1358 O LYS A 84 14.302 -8.472 -0.053 1.00 0.00 O ATOM 1359 CB LYS A 84 16.967 -10.061 1.169 1.00 0.00 C ATOM 1360 CG LYS A 84 18.178 -10.973 1.078 1.00 0.00 C ATOM 1361 CD LYS A 84 17.786 -12.435 1.214 1.00 0.00 C ATOM 1362 CE LYS A 84 17.837 -12.893 2.664 1.00 0.00 C ATOM 1363 NZ LYS A 84 19.227 -13.199 3.100 1.00 0.00 N ATOM 0 H LYS A 84 17.351 -7.933 -0.099 1.00 0.00 H new ATOM 0 HA LYS A 84 16.507 -10.595 -0.863 1.00 0.00 H new ATOM 0 HB2 LYS A 84 17.263 -9.123 1.638 1.00 0.00 H new ATOM 0 HB3 LYS A 84 16.223 -10.522 1.819 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.681 -10.817 0.124 1.00 0.00 H new ATOM 0 HG3 LYS A 84 18.891 -10.712 1.860 1.00 0.00 H new ATOM 0 HD2 LYS A 84 16.780 -12.581 0.820 1.00 0.00 H new ATOM 0 HD3 LYS A 84 18.456 -13.050 0.613 1.00 0.00 H new ATOM 0 HE2 LYS A 84 17.418 -12.117 3.305 1.00 0.00 H new ATOM 0 HE3 LYS A 84 17.214 -13.779 2.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 19.219 -13.507 4.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 19.619 -13.957 2.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 19.816 -12.347 3.007 1.00 0.00 H new ATOM 1377 N TYR A 85 14.119 -10.705 0.159 1.00 0.00 N ATOM 1378 CA TYR A 85 12.671 -10.679 0.329 1.00 0.00 C ATOM 1379 C TYR A 85 12.044 -9.561 -0.497 1.00 0.00 C ATOM 1380 O TYR A 85 11.317 -8.718 0.028 1.00 0.00 O ATOM 1381 CB TYR A 85 12.313 -10.499 1.806 1.00 0.00 C ATOM 1382 CG TYR A 85 13.114 -11.383 2.735 1.00 0.00 C ATOM 1383 CD1 TYR A 85 14.330 -10.956 3.254 1.00 0.00 C ATOM 1384 CD2 TYR A 85 12.655 -12.644 3.093 1.00 0.00 C ATOM 1385 CE1 TYR A 85 15.066 -11.760 4.103 1.00 0.00 C ATOM 1386 CE2 TYR A 85 13.384 -13.454 3.943 1.00 0.00 C ATOM 1387 CZ TYR A 85 14.589 -13.008 4.445 1.00 0.00 C ATOM 1388 OH TYR A 85 15.318 -13.813 5.290 1.00 0.00 O ATOM 0 H TYR A 85 14.531 -11.637 0.191 1.00 0.00 H new ATOM 0 HA TYR A 85 12.273 -11.631 -0.022 1.00 0.00 H new ATOM 0 HB2 TYR A 85 12.470 -9.457 2.085 1.00 0.00 H new ATOM 0 HB3 TYR A 85 11.252 -10.710 1.942 1.00 0.00 H new ATOM 0 HD1 TYR A 85 14.706 -9.979 2.989 1.00 0.00 H new ATOM 0 HD2 TYR A 85 11.713 -12.997 2.701 1.00 0.00 H new ATOM 0 HE1 TYR A 85 16.010 -11.413 4.497 1.00 0.00 H new ATOM 0 HE2 TYR A 85 13.012 -14.431 4.213 1.00 0.00 H new ATOM 0 HH TYR A 85 14.841 -14.657 5.430 1.00 0.00 H new ATOM 1398 N ALA A 86 12.332 -9.560 -1.795 1.00 0.00 N ATOM 1399 CA ALA A 86 11.796 -8.548 -2.696 1.00 0.00 C ATOM 1400 C ALA A 86 11.047 -9.190 -3.859 1.00 0.00 C ATOM 1401 O ALA A 86 11.387 -10.288 -4.299 1.00 0.00 O ATOM 1402 CB ALA A 86 12.914 -7.657 -3.214 1.00 0.00 C ATOM 0 H ALA A 86 12.934 -10.249 -2.246 1.00 0.00 H new ATOM 0 HA ALA A 86 11.089 -7.936 -2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 86 12.499 -6.906 -3.886 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.404 -7.163 -2.375 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.642 -8.263 -3.753 1.00 0.00 H new ATOM 1408 N PHE A 87 10.025 -8.499 -4.353 1.00 0.00 N ATOM 1409 CA PHE A 87 9.226 -9.002 -5.464 1.00 0.00 C ATOM 1410 C PHE A 87 8.889 -7.882 -6.443 1.00 0.00 C ATOM 1411 O PHE A 87 9.063 -6.702 -6.138 1.00 0.00 O ATOM 1412 CB PHE A 87 7.940 -9.646 -4.944 1.00 0.00 C ATOM 1413 CG PHE A 87 7.288 -8.873 -3.834 1.00 0.00 C ATOM 1414 CD1 PHE A 87 7.769 -8.959 -2.537 1.00 0.00 C ATOM 1415 CD2 PHE A 87 6.195 -8.060 -4.086 1.00 0.00 C ATOM 1416 CE1 PHE A 87 7.173 -8.248 -1.513 1.00 0.00 C ATOM 1417 CE2 PHE A 87 5.594 -7.347 -3.066 1.00 0.00 C ATOM 1418 CZ PHE A 87 6.083 -7.442 -1.778 1.00 0.00 C ATOM 0 H PHE A 87 9.730 -7.588 -4.001 1.00 0.00 H new ATOM 0 HA PHE A 87 9.813 -9.755 -5.990 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.235 -9.747 -5.769 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.164 -10.653 -4.592 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.620 -9.589 -2.324 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.808 -7.982 -5.091 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.559 -8.322 -0.507 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.743 -6.716 -3.276 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.614 -6.887 -0.979 1.00 0.00 H new ATOM 1428 N LYS A 88 8.404 -8.260 -7.621 1.00 0.00 N ATOM 1429 CA LYS A 88 8.040 -7.289 -8.646 1.00 0.00 C ATOM 1430 C LYS A 88 6.684 -7.626 -9.258 1.00 0.00 C ATOM 1431 O LYS A 88 6.274 -8.786 -9.281 1.00 0.00 O ATOM 1432 CB LYS A 88 9.109 -7.247 -9.740 1.00 0.00 C ATOM 1433 CG LYS A 88 9.257 -8.555 -10.496 1.00 0.00 C ATOM 1434 CD LYS A 88 10.200 -8.412 -11.679 1.00 0.00 C ATOM 1435 CE LYS A 88 9.880 -9.420 -12.773 1.00 0.00 C ATOM 1436 NZ LYS A 88 11.084 -9.769 -13.576 1.00 0.00 N ATOM 0 H LYS A 88 8.254 -9.233 -7.890 1.00 0.00 H new ATOM 0 HA LYS A 88 7.972 -6.309 -8.175 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.863 -6.455 -10.447 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.067 -6.987 -9.290 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.632 -9.325 -9.822 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.280 -8.886 -10.847 1.00 0.00 H new ATOM 0 HD2 LYS A 88 10.129 -7.402 -12.082 1.00 0.00 H new ATOM 0 HD3 LYS A 88 11.228 -8.551 -11.345 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.468 -10.324 -12.324 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.112 -9.012 -13.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.824 -10.458 -14.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.463 -8.911 -14.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.808 -10.183 -12.954 1.00 0.00 H new ATOM 1450 N ALA A 89 5.993 -6.605 -9.754 1.00 0.00 N ATOM 1451 CA ALA A 89 4.685 -6.794 -10.369 1.00 0.00 C ATOM 1452 C ALA A 89 4.699 -6.364 -11.832 1.00 0.00 C ATOM 1453 O ALA A 89 5.139 -5.263 -12.161 1.00 0.00 O ATOM 1454 CB ALA A 89 3.623 -6.021 -9.600 1.00 0.00 C ATOM 0 H ALA A 89 6.317 -5.638 -9.742 1.00 0.00 H new ATOM 0 HA ALA A 89 4.444 -7.856 -10.332 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.651 -6.171 -10.071 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.587 -6.378 -8.571 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.869 -4.959 -9.607 1.00 0.00 H new ATOM 1460 N ALA A 90 4.216 -7.241 -12.706 1.00 0.00 N ATOM 1461 CA ALA A 90 4.172 -6.951 -14.134 1.00 0.00 C ATOM 1462 C ALA A 90 2.783 -6.484 -14.557 1.00 0.00 C ATOM 1463 O ALA A 90 1.772 -6.978 -14.057 1.00 0.00 O ATOM 1464 CB ALA A 90 4.586 -8.177 -14.934 1.00 0.00 C ATOM 0 H ALA A 90 3.850 -8.158 -12.450 1.00 0.00 H new ATOM 0 HA ALA A 90 4.875 -6.143 -14.338 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.549 -7.946 -15.999 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.601 -8.464 -14.660 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.905 -9.000 -14.717 1.00 0.00 H new ATOM 1470 N HIS A 91 2.741 -5.529 -15.480 1.00 0.00 N ATOM 1471 CA HIS A 91 1.475 -4.995 -15.971 1.00 0.00 C ATOM 1472 C HIS A 91 1.506 -4.829 -17.487 1.00 0.00 C ATOM 1473 O HIS A 91 2.510 -4.418 -18.070 1.00 0.00 O ATOM 1474 CB HIS A 91 1.171 -3.653 -15.305 1.00 0.00 C ATOM 1475 CG HIS A 91 -0.287 -3.309 -15.289 1.00 0.00 C ATOM 1476 ND1 HIS A 91 -0.932 -2.717 -16.354 1.00 0.00 N ATOM 1477 CD2 HIS A 91 -1.226 -3.478 -14.329 1.00 0.00 C ATOM 1478 CE1 HIS A 91 -2.205 -2.535 -16.049 1.00 0.00 C ATOM 1479 NE2 HIS A 91 -2.409 -2.990 -14.826 1.00 0.00 N ATOM 0 H HIS A 91 3.568 -5.109 -15.903 1.00 0.00 H new ATOM 0 HA HIS A 91 0.687 -5.705 -15.718 1.00 0.00 H new ATOM 0 HB2 HIS A 91 1.543 -3.673 -14.280 1.00 0.00 H new ATOM 0 HB3 HIS A 91 1.716 -2.866 -15.827 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.073 -3.915 -13.353 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.951 -2.090 -16.690 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -3.301 -2.980 -14.331 1.00 0.00 H new ATOM 1488 N PRO A 92 0.382 -5.156 -18.142 1.00 0.00 N ATOM 1489 CA PRO A 92 0.256 -5.051 -19.599 1.00 0.00 C ATOM 1490 C PRO A 92 0.123 -3.606 -20.067 1.00 0.00 C ATOM 1491 O PRO A 92 0.821 -3.174 -20.983 1.00 0.00 O ATOM 1492 CB PRO A 92 -1.026 -5.831 -19.901 1.00 0.00 C ATOM 1493 CG PRO A 92 -1.837 -5.723 -18.656 1.00 0.00 C ATOM 1494 CD PRO A 92 -0.852 -5.652 -17.511 1.00 0.00 C ATOM 0 HA PRO A 92 1.137 -5.436 -20.113 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.554 -5.409 -20.756 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.809 -6.871 -20.143 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.469 -4.836 -18.680 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.498 -6.583 -18.547 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.198 -4.980 -16.726 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.702 -6.629 -17.051 1.00 0.00 H new ATOM 1502 N ASN A 93 -0.777 -2.863 -19.430 1.00 0.00 N ATOM 1503 CA ASN A 93 -1.001 -1.466 -19.782 1.00 0.00 C ATOM 1504 C ASN A 93 -0.107 -0.547 -18.956 1.00 0.00 C ATOM 1505 O ASN A 93 -0.286 0.671 -18.952 1.00 0.00 O ATOM 1506 CB ASN A 93 -2.470 -1.094 -19.569 1.00 0.00 C ATOM 1507 CG ASN A 93 -3.372 -1.658 -20.649 1.00 0.00 C ATOM 1508 OD1 ASN A 93 -3.770 -0.948 -21.574 1.00 0.00 O ATOM 1509 ND2 ASN A 93 -3.699 -2.940 -20.538 1.00 0.00 N ATOM 0 H ASN A 93 -1.362 -3.205 -18.668 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.750 -1.338 -20.835 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.798 -1.462 -18.597 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.568 -0.009 -19.548 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.303 -3.375 -21.236 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.346 -3.490 -19.755 1.00 0.00 H new ATOM 1516 N MET A 94 0.856 -1.139 -18.257 1.00 0.00 N ATOM 1517 CA MET A 94 1.780 -0.373 -17.428 1.00 0.00 C ATOM 1518 C MET A 94 3.149 -1.044 -17.377 1.00 0.00 C ATOM 1519 O MET A 94 3.383 -2.049 -18.047 1.00 0.00 O ATOM 1520 CB MET A 94 1.221 -0.219 -16.012 1.00 0.00 C ATOM 1521 CG MET A 94 0.295 0.975 -15.851 1.00 0.00 C ATOM 1522 SD MET A 94 -0.054 1.356 -14.123 1.00 0.00 S ATOM 1523 CE MET A 94 -1.180 0.028 -13.705 1.00 0.00 C ATOM 0 H MET A 94 1.017 -2.146 -18.248 1.00 0.00 H new ATOM 0 HA MET A 94 1.896 0.615 -17.874 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.680 -1.126 -15.743 1.00 0.00 H new ATOM 0 HB3 MET A 94 2.050 -0.122 -15.311 1.00 0.00 H new ATOM 0 HG2 MET A 94 0.745 1.846 -16.327 1.00 0.00 H new ATOM 0 HG3 MET A 94 -0.642 0.776 -16.371 1.00 0.00 H new ATOM 0 HE1 MET A 94 -1.729 0.288 -12.800 1.00 0.00 H new ATOM 0 HE2 MET A 94 -1.882 -0.125 -14.524 1.00 0.00 H new ATOM 0 HE3 MET A 94 -0.615 -0.889 -13.536 1.00 0.00 H new ATOM 1533 N ARG A 95 4.049 -0.481 -16.578 1.00 0.00 N ATOM 1534 CA ARG A 95 5.395 -1.024 -16.441 1.00 0.00 C ATOM 1535 C ARG A 95 5.466 -2.016 -15.284 1.00 0.00 C ATOM 1536 O ARG A 95 4.461 -2.298 -14.631 1.00 0.00 O ATOM 1537 CB ARG A 95 6.404 0.105 -16.222 1.00 0.00 C ATOM 1538 CG ARG A 95 6.129 0.934 -14.978 1.00 0.00 C ATOM 1539 CD ARG A 95 6.844 0.368 -13.761 1.00 0.00 C ATOM 1540 NE ARG A 95 6.857 1.311 -12.646 1.00 0.00 N ATOM 1541 CZ ARG A 95 7.759 1.284 -11.672 1.00 0.00 C ATOM 1542 NH1 ARG A 95 8.717 0.367 -11.676 1.00 0.00 N ATOM 1543 NH2 ARG A 95 7.705 2.176 -10.691 1.00 0.00 N ATOM 0 H ARG A 95 3.871 0.351 -16.016 1.00 0.00 H new ATOM 0 HA ARG A 95 5.643 -1.550 -17.363 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.404 -0.322 -16.150 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.399 0.760 -17.093 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.452 1.961 -15.146 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.056 0.964 -14.789 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.354 -0.555 -13.450 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.868 0.110 -14.030 1.00 0.00 H new ATOM 0 HE ARG A 95 6.134 2.030 -12.614 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.762 -0.320 -12.429 1.00 0.00 H new ATOM 0 HH12 ARG A 95 9.409 0.349 -10.926 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.970 2.883 -10.685 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.398 2.154 -9.943 1.00 0.00 H new ATOM 1557 N THR A 96 6.661 -2.543 -15.035 1.00 0.00 N ATOM 1558 CA THR A 96 6.863 -3.505 -13.958 1.00 0.00 C ATOM 1559 C THR A 96 7.259 -2.805 -12.663 1.00 0.00 C ATOM 1560 O THR A 96 8.254 -2.081 -12.617 1.00 0.00 O ATOM 1561 CB THR A 96 7.947 -4.537 -14.323 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.638 -5.147 -15.581 1.00 0.00 O ATOM 1563 CG2 THR A 96 8.058 -5.607 -13.248 1.00 0.00 C ATOM 0 H THR A 96 7.504 -2.320 -15.565 1.00 0.00 H new ATOM 0 HA THR A 96 5.914 -4.022 -13.813 1.00 0.00 H new ATOM 0 HB THR A 96 8.903 -4.018 -14.397 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.332 -5.800 -15.807 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.829 -6.325 -13.527 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.321 -5.142 -12.298 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.103 -6.122 -13.147 1.00 0.00 H new ATOM 1571 N TYR A 97 6.475 -3.024 -11.614 1.00 0.00 N ATOM 1572 CA TYR A 97 6.743 -2.413 -10.318 1.00 0.00 C ATOM 1573 C TYR A 97 7.667 -3.293 -9.481 1.00 0.00 C ATOM 1574 O TYR A 97 7.985 -4.419 -9.864 1.00 0.00 O ATOM 1575 CB TYR A 97 5.434 -2.167 -9.565 1.00 0.00 C ATOM 1576 CG TYR A 97 4.657 -0.975 -10.075 1.00 0.00 C ATOM 1577 CD1 TYR A 97 4.520 -0.741 -11.438 1.00 0.00 C ATOM 1578 CD2 TYR A 97 4.058 -0.083 -9.194 1.00 0.00 C ATOM 1579 CE1 TYR A 97 3.812 0.348 -11.908 1.00 0.00 C ATOM 1580 CE2 TYR A 97 3.346 1.008 -9.655 1.00 0.00 C ATOM 1581 CZ TYR A 97 3.226 1.219 -11.013 1.00 0.00 C ATOM 1582 OH TYR A 97 2.519 2.304 -11.477 1.00 0.00 O ATOM 0 H TYR A 97 5.648 -3.621 -11.636 1.00 0.00 H new ATOM 0 HA TYR A 97 7.239 -1.458 -10.491 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.809 -3.057 -9.640 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.655 -2.021 -8.508 1.00 0.00 H new ATOM 0 HD1 TYR A 97 4.975 -1.422 -12.142 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.150 -0.245 -8.130 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.718 0.517 -12.971 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.886 1.691 -8.956 1.00 0.00 H new ATOM 0 HH TYR A 97 2.170 2.816 -10.718 1.00 0.00 H new ATOM 1592 N TYR A 98 8.093 -2.771 -8.336 1.00 0.00 N ATOM 1593 CA TYR A 98 8.981 -3.507 -7.445 1.00 0.00 C ATOM 1594 C TYR A 98 8.726 -3.130 -5.988 1.00 0.00 C ATOM 1595 O TYR A 98 8.665 -1.950 -5.642 1.00 0.00 O ATOM 1596 CB TYR A 98 10.442 -3.232 -7.806 1.00 0.00 C ATOM 1597 CG TYR A 98 10.868 -3.852 -9.117 1.00 0.00 C ATOM 1598 CD1 TYR A 98 10.521 -3.267 -10.329 1.00 0.00 C ATOM 1599 CD2 TYR A 98 11.617 -5.022 -9.145 1.00 0.00 C ATOM 1600 CE1 TYR A 98 10.908 -3.830 -11.530 1.00 0.00 C ATOM 1601 CE2 TYR A 98 12.009 -5.591 -10.341 1.00 0.00 C ATOM 1602 CZ TYR A 98 11.652 -4.992 -11.531 1.00 0.00 C ATOM 1603 OH TYR A 98 12.039 -5.556 -12.725 1.00 0.00 O ATOM 0 H TYR A 98 7.838 -1.841 -8.003 1.00 0.00 H new ATOM 0 HA TYR A 98 8.777 -4.571 -7.567 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.599 -2.154 -7.855 1.00 0.00 H new ATOM 0 HB3 TYR A 98 11.082 -3.611 -7.009 1.00 0.00 H new ATOM 0 HD1 TYR A 98 9.939 -2.357 -10.332 1.00 0.00 H new ATOM 0 HD2 TYR A 98 11.898 -5.495 -8.215 1.00 0.00 H new ATOM 0 HE1 TYR A 98 10.630 -3.363 -12.463 1.00 0.00 H new ATOM 0 HE2 TYR A 98 12.592 -6.500 -10.344 1.00 0.00 H new ATOM 0 HH TYR A 98 12.557 -6.369 -12.550 1.00 0.00 H new ATOM 1613 N PHE A 99 8.579 -4.141 -5.139 1.00 0.00 N ATOM 1614 CA PHE A 99 8.330 -3.918 -3.720 1.00 0.00 C ATOM 1615 C PHE A 99 9.185 -4.849 -2.865 1.00 0.00 C ATOM 1616 O PHE A 99 9.276 -6.047 -3.134 1.00 0.00 O ATOM 1617 CB PHE A 99 6.849 -4.130 -3.400 1.00 0.00 C ATOM 1618 CG PHE A 99 5.924 -3.518 -4.413 1.00 0.00 C ATOM 1619 CD1 PHE A 99 5.598 -2.172 -4.348 1.00 0.00 C ATOM 1620 CD2 PHE A 99 5.379 -4.287 -5.428 1.00 0.00 C ATOM 1621 CE1 PHE A 99 4.747 -1.606 -5.279 1.00 0.00 C ATOM 1622 CE2 PHE A 99 4.528 -3.726 -6.361 1.00 0.00 C ATOM 1623 CZ PHE A 99 4.211 -2.384 -6.286 1.00 0.00 C ATOM 0 H PHE A 99 8.628 -5.123 -5.409 1.00 0.00 H new ATOM 0 HA PHE A 99 8.601 -2.888 -3.487 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.649 -5.200 -3.336 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.633 -3.706 -2.419 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.013 -1.559 -3.562 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.622 -5.337 -5.491 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.502 -0.556 -5.219 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.111 -4.337 -7.148 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.545 -1.944 -7.014 1.00 0.00 H new ATOM 1633 N CYS A 100 9.810 -4.289 -1.835 1.00 0.00 N ATOM 1634 CA CYS A 100 10.659 -5.068 -0.940 1.00 0.00 C ATOM 1635 C CYS A 100 10.337 -4.760 0.519 1.00 0.00 C ATOM 1636 O CYS A 100 9.706 -3.749 0.828 1.00 0.00 O ATOM 1637 CB CYS A 100 12.134 -4.778 -1.223 1.00 0.00 C ATOM 1638 SG CYS A 100 12.704 -3.180 -0.598 1.00 0.00 S ATOM 0 H CYS A 100 9.745 -3.299 -1.599 1.00 0.00 H new ATOM 0 HA CYS A 100 10.463 -6.125 -1.120 1.00 0.00 H new ATOM 0 HB2 CYS A 100 12.740 -5.567 -0.779 1.00 0.00 H new ATOM 0 HB3 CYS A 100 12.301 -4.816 -2.300 1.00 0.00 H new ATOM 0 HG CYS A 100 12.823 -2.345 -1.587 1.00 0.00 H new ATOM 1644 N THR A 101 10.775 -5.640 1.414 1.00 0.00 N ATOM 1645 CA THR A 101 10.532 -5.465 2.840 1.00 0.00 C ATOM 1646 C THR A 101 11.824 -5.600 3.638 1.00 0.00 C ATOM 1647 O THR A 101 12.905 -5.744 3.068 1.00 0.00 O ATOM 1648 CB THR A 101 9.508 -6.489 3.365 1.00 0.00 C ATOM 1649 OG1 THR A 101 9.918 -7.816 3.016 1.00 0.00 O ATOM 1650 CG2 THR A 101 8.125 -6.213 2.794 1.00 0.00 C ATOM 0 H THR A 101 11.300 -6.481 1.176 1.00 0.00 H new ATOM 0 HA THR A 101 10.130 -4.460 2.972 1.00 0.00 H new ATOM 0 HB THR A 101 9.460 -6.398 4.450 1.00 0.00 H new ATOM 0 HG1 THR A 101 9.975 -8.365 3.826 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.419 -6.949 3.179 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.803 -5.214 3.087 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.161 -6.279 1.707 1.00 0.00 H new ATOM 1658 N ASP A 102 11.704 -5.552 4.961 1.00 0.00 N ATOM 1659 CA ASP A 102 12.863 -5.671 5.838 1.00 0.00 C ATOM 1660 C ASP A 102 13.124 -7.130 6.199 1.00 0.00 C ATOM 1661 O ASP A 102 14.257 -7.516 6.491 1.00 0.00 O ATOM 1662 CB ASP A 102 12.652 -4.848 7.110 1.00 0.00 C ATOM 1663 CG ASP A 102 13.950 -4.290 7.660 1.00 0.00 C ATOM 1664 OD1 ASP A 102 14.506 -3.360 7.040 1.00 0.00 O ATOM 1665 OD2 ASP A 102 14.411 -4.785 8.711 1.00 0.00 O ATOM 0 H ASP A 102 10.816 -5.432 5.449 1.00 0.00 H new ATOM 0 HA ASP A 102 13.733 -5.286 5.305 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.967 -4.027 6.898 1.00 0.00 H new ATOM 0 HB3 ASP A 102 12.178 -5.471 7.868 1.00 0.00 H new ATOM 1670 N THR A 103 12.069 -7.938 6.177 1.00 0.00 N ATOM 1671 CA THR A 103 12.183 -9.354 6.504 1.00 0.00 C ATOM 1672 C THR A 103 11.166 -10.181 5.726 1.00 0.00 C ATOM 1673 O THR A 103 10.313 -9.637 5.027 1.00 0.00 O ATOM 1674 CB THR A 103 11.984 -9.600 8.011 1.00 0.00 C ATOM 1675 OG1 THR A 103 10.603 -9.860 8.287 1.00 0.00 O ATOM 1676 CG2 THR A 103 12.452 -8.402 8.822 1.00 0.00 C ATOM 0 H THR A 103 11.125 -7.636 5.936 1.00 0.00 H new ATOM 0 HA THR A 103 13.190 -9.664 6.223 1.00 0.00 H new ATOM 0 HB THR A 103 12.580 -10.466 8.297 1.00 0.00 H new ATOM 0 HG1 THR A 103 10.485 -10.017 9.247 1.00 0.00 H new ATOM 0 HG21 THR A 103 12.301 -8.600 9.883 1.00 0.00 H new ATOM 0 HG22 THR A 103 13.511 -8.226 8.633 1.00 0.00 H new ATOM 0 HG23 THR A 103 11.880 -7.521 8.532 1.00 0.00 H new ATOM 1684 N GLY A 104 11.263 -11.501 5.853 1.00 0.00 N ATOM 1685 CA GLY A 104 10.344 -12.383 5.157 1.00 0.00 C ATOM 1686 C GLY A 104 8.896 -12.104 5.506 1.00 0.00 C ATOM 1687 O GLY A 104 8.064 -11.900 4.621 1.00 0.00 O ATOM 0 H GLY A 104 11.961 -11.975 6.425 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.483 -12.272 4.082 1.00 0.00 H new ATOM 0 HA3 GLY A 104 10.581 -13.418 5.404 1.00 0.00 H new ATOM 1691 N LYS A 105 8.591 -12.095 6.799 1.00 0.00 N ATOM 1692 CA LYS A 105 7.234 -11.840 7.264 1.00 0.00 C ATOM 1693 C LYS A 105 6.659 -10.590 6.605 1.00 0.00 C ATOM 1694 O LYS A 105 5.694 -10.667 5.845 1.00 0.00 O ATOM 1695 CB LYS A 105 7.215 -11.680 8.786 1.00 0.00 C ATOM 1696 CG LYS A 105 5.819 -11.531 9.365 1.00 0.00 C ATOM 1697 CD LYS A 105 5.399 -10.072 9.437 1.00 0.00 C ATOM 1698 CE LYS A 105 4.397 -9.835 10.556 1.00 0.00 C ATOM 1699 NZ LYS A 105 4.361 -8.407 10.975 1.00 0.00 N ATOM 0 H LYS A 105 9.267 -12.262 7.544 1.00 0.00 H new ATOM 0 HA LYS A 105 6.616 -12.694 6.987 1.00 0.00 H new ATOM 0 HB2 LYS A 105 7.697 -12.546 9.240 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.807 -10.806 9.058 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.109 -12.085 8.752 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.789 -11.969 10.363 1.00 0.00 H new ATOM 0 HD2 LYS A 105 6.278 -9.447 9.596 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.961 -9.771 8.485 1.00 0.00 H new ATOM 0 HE2 LYS A 105 3.405 -10.142 10.226 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.655 -10.458 11.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 3.379 -8.065 10.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.744 -8.318 11.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.935 -7.838 10.320 1.00 0.00 H new ATOM 1713 N GLU A 106 7.259 -9.441 6.900 1.00 0.00 N ATOM 1714 CA GLU A 106 6.806 -8.176 6.334 1.00 0.00 C ATOM 1715 C GLU A 106 6.473 -8.330 4.853 1.00 0.00 C ATOM 1716 O GLU A 106 5.681 -7.567 4.302 1.00 0.00 O ATOM 1717 CB GLU A 106 7.876 -7.097 6.518 1.00 0.00 C ATOM 1718 CG GLU A 106 7.885 -6.480 7.907 1.00 0.00 C ATOM 1719 CD GLU A 106 8.393 -5.051 7.906 1.00 0.00 C ATOM 1720 OE1 GLU A 106 9.564 -4.837 7.530 1.00 0.00 O ATOM 1721 OE2 GLU A 106 7.618 -4.147 8.283 1.00 0.00 O ATOM 0 H GLU A 106 8.059 -9.360 7.527 1.00 0.00 H new ATOM 0 HA GLU A 106 5.901 -7.875 6.862 1.00 0.00 H new ATOM 0 HB2 GLU A 106 8.856 -7.530 6.316 1.00 0.00 H new ATOM 0 HB3 GLU A 106 7.717 -6.310 5.781 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.875 -6.503 8.317 1.00 0.00 H new ATOM 0 HG3 GLU A 106 8.510 -7.084 8.565 1.00 0.00 H new ATOM 1728 N MET A 107 7.085 -9.323 4.216 1.00 0.00 N ATOM 1729 CA MET A 107 6.853 -9.578 2.799 1.00 0.00 C ATOM 1730 C MET A 107 5.694 -10.550 2.604 1.00 0.00 C ATOM 1731 O MET A 107 4.910 -10.414 1.665 1.00 0.00 O ATOM 1732 CB MET A 107 8.119 -10.137 2.146 1.00 0.00 C ATOM 1733 CG MET A 107 7.840 -11.045 0.959 1.00 0.00 C ATOM 1734 SD MET A 107 9.322 -11.409 -0.001 1.00 0.00 S ATOM 1735 CE MET A 107 9.177 -13.185 -0.187 1.00 0.00 C ATOM 0 H MET A 107 7.744 -9.963 4.658 1.00 0.00 H new ATOM 0 HA MET A 107 6.594 -8.632 2.323 1.00 0.00 H new ATOM 0 HB2 MET A 107 8.746 -9.307 1.819 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.688 -10.692 2.892 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.404 -11.978 1.315 1.00 0.00 H new ATOM 0 HG3 MET A 107 7.100 -10.574 0.312 1.00 0.00 H new ATOM 0 HE1 MET A 107 9.641 -13.492 -1.124 1.00 0.00 H new ATOM 0 HE2 MET A 107 9.678 -13.680 0.645 1.00 0.00 H new ATOM 0 HE3 MET A 107 8.124 -13.465 -0.195 1.00 0.00 H new ATOM 1745 N GLU A 108 5.593 -11.530 3.496 1.00 0.00 N ATOM 1746 CA GLU A 108 4.530 -12.525 3.420 1.00 0.00 C ATOM 1747 C GLU A 108 3.161 -11.873 3.591 1.00 0.00 C ATOM 1748 O GLU A 108 2.179 -12.292 2.976 1.00 0.00 O ATOM 1749 CB GLU A 108 4.731 -13.602 4.489 1.00 0.00 C ATOM 1750 CG GLU A 108 4.005 -13.309 5.791 1.00 0.00 C ATOM 1751 CD GLU A 108 4.191 -14.406 6.822 1.00 0.00 C ATOM 1752 OE1 GLU A 108 3.785 -15.555 6.546 1.00 0.00 O ATOM 1753 OE2 GLU A 108 4.743 -14.116 7.904 1.00 0.00 O ATOM 0 H GLU A 108 6.234 -11.656 4.279 1.00 0.00 H new ATOM 0 HA GLU A 108 4.572 -12.989 2.435 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.386 -14.559 4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.797 -13.706 4.692 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.367 -12.366 6.200 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.941 -13.182 5.589 1.00 0.00 H new ATOM 1760 N LEU A 109 3.103 -10.845 4.431 1.00 0.00 N ATOM 1761 CA LEU A 109 1.855 -10.133 4.684 1.00 0.00 C ATOM 1762 C LEU A 109 1.382 -9.401 3.433 1.00 0.00 C ATOM 1763 O LEU A 109 0.186 -9.357 3.142 1.00 0.00 O ATOM 1764 CB LEU A 109 2.035 -9.140 5.833 1.00 0.00 C ATOM 1765 CG LEU A 109 2.553 -9.722 7.149 1.00 0.00 C ATOM 1766 CD1 LEU A 109 2.469 -8.688 8.260 1.00 0.00 C ATOM 1767 CD2 LEU A 109 1.772 -10.974 7.522 1.00 0.00 C ATOM 0 H LEU A 109 3.905 -10.486 4.948 1.00 0.00 H new ATOM 0 HA LEU A 109 1.097 -10.866 4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.724 -8.360 5.508 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.076 -8.659 6.024 1.00 0.00 H new ATOM 0 HG LEU A 109 3.599 -9.997 7.016 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.842 -9.120 9.188 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.073 -7.820 7.996 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.432 -8.381 8.394 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.154 -11.375 8.461 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.717 -10.724 7.636 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.885 -11.721 6.736 1.00 0.00 H new ATOM 1779 N TRP A 110 2.327 -8.829 2.696 1.00 0.00 N ATOM 1780 CA TRP A 110 2.007 -8.100 1.474 1.00 0.00 C ATOM 1781 C TRP A 110 1.671 -9.061 0.339 1.00 0.00 C ATOM 1782 O TRP A 110 0.640 -8.922 -0.319 1.00 0.00 O ATOM 1783 CB TRP A 110 3.178 -7.203 1.069 1.00 0.00 C ATOM 1784 CG TRP A 110 3.162 -5.865 1.745 1.00 0.00 C ATOM 1785 CD1 TRP A 110 4.148 -5.328 2.522 1.00 0.00 C ATOM 1786 CD2 TRP A 110 2.108 -4.897 1.704 1.00 0.00 C ATOM 1787 NE1 TRP A 110 3.770 -4.084 2.968 1.00 0.00 N ATOM 1788 CE2 TRP A 110 2.523 -3.796 2.479 1.00 0.00 C ATOM 1789 CE3 TRP A 110 0.855 -4.851 1.087 1.00 0.00 C ATOM 1790 CZ2 TRP A 110 1.729 -2.666 2.652 1.00 0.00 C ATOM 1791 CZ3 TRP A 110 0.067 -3.729 1.260 1.00 0.00 C ATOM 1792 CH2 TRP A 110 0.507 -2.649 2.036 1.00 0.00 C ATOM 0 H TRP A 110 3.321 -8.856 2.923 1.00 0.00 H new ATOM 0 HA TRP A 110 1.133 -7.479 1.670 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.114 -7.710 1.305 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.158 -7.057 -0.011 1.00 0.00 H new ATOM 0 HD1 TRP A 110 5.087 -5.810 2.752 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.327 -3.474 3.566 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.508 -5.678 0.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 2.065 -1.832 3.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.904 -3.684 0.789 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.131 -1.785 2.151 1.00 0.00 H new ATOM 1803 N MET A 111 2.547 -10.035 0.114 1.00 0.00 N ATOM 1804 CA MET A 111 2.341 -11.019 -0.941 1.00 0.00 C ATOM 1805 C MET A 111 1.013 -11.747 -0.755 1.00 0.00 C ATOM 1806 O MET A 111 0.107 -11.627 -1.579 1.00 0.00 O ATOM 1807 CB MET A 111 3.491 -12.029 -0.958 1.00 0.00 C ATOM 1808 CG MET A 111 4.806 -11.444 -1.447 1.00 0.00 C ATOM 1809 SD MET A 111 5.960 -12.708 -2.014 1.00 0.00 S ATOM 1810 CE MET A 111 5.828 -12.516 -3.790 1.00 0.00 C ATOM 0 H MET A 111 3.406 -10.163 0.649 1.00 0.00 H new ATOM 0 HA MET A 111 2.315 -10.492 -1.895 1.00 0.00 H new ATOM 0 HB2 MET A 111 3.631 -12.425 0.048 1.00 0.00 H new ATOM 0 HB3 MET A 111 3.217 -12.869 -1.596 1.00 0.00 H new ATOM 0 HG2 MET A 111 4.609 -10.746 -2.261 1.00 0.00 H new ATOM 0 HG3 MET A 111 5.267 -10.872 -0.642 1.00 0.00 H new ATOM 0 HE1 MET A 111 5.272 -13.356 -4.206 1.00 0.00 H new ATOM 0 HE2 MET A 111 5.306 -11.587 -4.018 1.00 0.00 H new ATOM 0 HE3 MET A 111 6.826 -12.489 -4.228 1.00 0.00 H new ATOM 1820 N LYS A 112 0.905 -12.501 0.334 1.00 0.00 N ATOM 1821 CA LYS A 112 -0.312 -13.247 0.630 1.00 0.00 C ATOM 1822 C LYS A 112 -1.546 -12.485 0.159 1.00 0.00 C ATOM 1823 O LYS A 112 -2.487 -13.075 -0.372 1.00 0.00 O ATOM 1824 CB LYS A 112 -0.413 -13.524 2.132 1.00 0.00 C ATOM 1825 CG LYS A 112 0.496 -14.645 2.606 1.00 0.00 C ATOM 1826 CD LYS A 112 -0.081 -16.010 2.270 1.00 0.00 C ATOM 1827 CE LYS A 112 0.343 -17.059 3.286 1.00 0.00 C ATOM 1828 NZ LYS A 112 0.149 -18.442 2.769 1.00 0.00 N ATOM 0 H LYS A 112 1.646 -12.611 1.026 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.266 -14.195 0.094 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -0.168 -12.613 2.678 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.445 -13.775 2.378 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.477 -14.540 2.143 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.642 -14.566 3.683 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -1.169 -15.949 2.240 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.249 -16.311 1.276 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.392 -16.912 3.544 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -0.232 -16.930 4.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 0.450 -19.128 3.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -0.856 -18.592 2.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 0.718 -18.574 1.908 1.00 0.00 H new ATOM 1842 N ALA A 113 -1.535 -11.170 0.355 1.00 0.00 N ATOM 1843 CA ALA A 113 -2.652 -10.327 -0.053 1.00 0.00 C ATOM 1844 C ALA A 113 -2.598 -10.030 -1.548 1.00 0.00 C ATOM 1845 O ALA A 113 -3.513 -10.380 -2.293 1.00 0.00 O ATOM 1846 CB ALA A 113 -2.654 -9.032 0.744 1.00 0.00 C ATOM 0 H ALA A 113 -0.765 -10.666 0.794 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.576 -10.868 0.150 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.493 -8.412 0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.749 -9.259 1.806 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.721 -8.496 0.569 1.00 0.00 H new ATOM 1852 N MET A 114 -1.521 -9.383 -1.979 1.00 0.00 N ATOM 1853 CA MET A 114 -1.348 -9.040 -3.386 1.00 0.00 C ATOM 1854 C MET A 114 -1.712 -10.219 -4.282 1.00 0.00 C ATOM 1855 O MET A 114 -2.550 -10.097 -5.177 1.00 0.00 O ATOM 1856 CB MET A 114 0.094 -8.606 -3.655 1.00 0.00 C ATOM 1857 CG MET A 114 0.456 -7.272 -3.022 1.00 0.00 C ATOM 1858 SD MET A 114 2.047 -6.643 -3.590 1.00 0.00 S ATOM 1859 CE MET A 114 2.513 -5.602 -2.208 1.00 0.00 C ATOM 0 H MET A 114 -0.755 -9.086 -1.375 1.00 0.00 H new ATOM 0 HA MET A 114 -2.017 -8.211 -3.616 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.771 -9.373 -3.279 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.251 -8.542 -4.732 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.321 -6.543 -3.251 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.480 -7.383 -1.938 1.00 0.00 H new ATOM 0 HE1 MET A 114 2.530 -4.560 -2.527 1.00 0.00 H new ATOM 0 HE2 MET A 114 1.790 -5.723 -1.401 1.00 0.00 H new ATOM 0 HE3 MET A 114 3.503 -5.889 -1.854 1.00 0.00 H new ATOM 1869 N LEU A 115 -1.078 -11.360 -4.037 1.00 0.00 N ATOM 1870 CA LEU A 115 -1.335 -12.563 -4.822 1.00 0.00 C ATOM 1871 C LEU A 115 -2.830 -12.857 -4.893 1.00 0.00 C ATOM 1872 O LEU A 115 -3.327 -13.355 -5.903 1.00 0.00 O ATOM 1873 CB LEU A 115 -0.597 -13.758 -4.217 1.00 0.00 C ATOM 1874 CG LEU A 115 0.833 -13.983 -4.710 1.00 0.00 C ATOM 1875 CD1 LEU A 115 0.847 -14.234 -6.210 1.00 0.00 C ATOM 1876 CD2 LEU A 115 1.712 -12.792 -4.358 1.00 0.00 C ATOM 0 H LEU A 115 -0.382 -11.478 -3.301 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.968 -12.392 -5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.571 -13.634 -3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.176 -14.659 -4.421 1.00 0.00 H new ATOM 0 HG LEU A 115 1.235 -14.865 -4.211 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.873 -14.392 -6.543 1.00 0.00 H new ATOM 0 HD12 LEU A 115 0.252 -15.119 -6.436 1.00 0.00 H new ATOM 0 HD13 LEU A 115 0.426 -13.372 -6.727 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.726 -12.970 -4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.313 -11.894 -4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.728 -12.658 -3.276 1.00 0.00 H new ATOM 1888 N ASP A 116 -3.542 -12.544 -3.816 1.00 0.00 N ATOM 1889 CA ASP A 116 -4.981 -12.771 -3.758 1.00 0.00 C ATOM 1890 C ASP A 116 -5.737 -11.657 -4.475 1.00 0.00 C ATOM 1891 O ASP A 116 -6.806 -11.884 -5.041 1.00 0.00 O ATOM 1892 CB ASP A 116 -5.445 -12.865 -2.303 1.00 0.00 C ATOM 1893 CG ASP A 116 -6.681 -13.728 -2.145 1.00 0.00 C ATOM 1894 OD1 ASP A 116 -7.521 -13.738 -3.070 1.00 0.00 O ATOM 1895 OD2 ASP A 116 -6.809 -14.394 -1.096 1.00 0.00 O ATOM 0 H ASP A 116 -3.146 -12.132 -2.971 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.196 -13.713 -4.262 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.639 -13.274 -1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.654 -11.864 -1.926 1.00 0.00 H new ATOM 1900 N ALA A 117 -5.174 -10.454 -4.446 1.00 0.00 N ATOM 1901 CA ALA A 117 -5.795 -9.305 -5.094 1.00 0.00 C ATOM 1902 C ALA A 117 -5.367 -9.201 -6.555 1.00 0.00 C ATOM 1903 O ALA A 117 -5.919 -8.409 -7.318 1.00 0.00 O ATOM 1904 CB ALA A 117 -5.445 -8.026 -4.348 1.00 0.00 C ATOM 0 H ALA A 117 -4.289 -10.249 -3.981 1.00 0.00 H new ATOM 0 HA ALA A 117 -6.876 -9.444 -5.068 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -5.915 -7.176 -4.843 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -5.805 -8.093 -3.321 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.363 -7.891 -4.345 1.00 0.00 H new ATOM 1910 N ALA A 118 -4.381 -10.006 -6.936 1.00 0.00 N ATOM 1911 CA ALA A 118 -3.880 -10.005 -8.305 1.00 0.00 C ATOM 1912 C ALA A 118 -4.472 -11.160 -9.106 1.00 0.00 C ATOM 1913 O ALA A 118 -4.928 -10.977 -10.236 1.00 0.00 O ATOM 1914 CB ALA A 118 -2.361 -10.080 -8.312 1.00 0.00 C ATOM 0 H ALA A 118 -3.913 -10.667 -6.316 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.188 -9.073 -8.778 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -2.001 -10.078 -9.341 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -1.952 -9.219 -7.783 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.040 -10.996 -7.817 1.00 0.00 H new ATOM 1920 N LEU A 119 -4.461 -12.350 -8.516 1.00 0.00 N ATOM 1921 CA LEU A 119 -4.996 -13.537 -9.175 1.00 0.00 C ATOM 1922 C LEU A 119 -6.496 -13.396 -9.415 1.00 0.00 C ATOM 1923 O LEU A 119 -7.039 -13.961 -10.364 1.00 0.00 O ATOM 1924 CB LEU A 119 -4.717 -14.782 -8.332 1.00 0.00 C ATOM 1925 CG LEU A 119 -5.763 -15.122 -7.270 1.00 0.00 C ATOM 1926 CD1 LEU A 119 -6.827 -16.044 -7.844 1.00 0.00 C ATOM 1927 CD2 LEU A 119 -5.102 -15.758 -6.055 1.00 0.00 C ATOM 0 H LEU A 119 -4.087 -12.519 -7.582 1.00 0.00 H new ATOM 0 HA LEU A 119 -4.500 -13.642 -10.140 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -4.619 -15.636 -9.003 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -3.755 -14.653 -7.837 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.246 -14.197 -6.954 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.563 -16.275 -7.073 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.321 -15.552 -8.682 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.361 -16.967 -8.189 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -5.861 -15.993 -5.309 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -4.592 -16.673 -6.356 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -4.378 -15.063 -5.629 1.00 0.00 H new ATOM 1939 N VAL A 120 -7.160 -12.638 -8.548 1.00 0.00 N ATOM 1940 CA VAL A 120 -8.597 -12.420 -8.668 1.00 0.00 C ATOM 1941 C VAL A 120 -9.023 -12.349 -10.130 1.00 0.00 C ATOM 1942 O VAL A 120 -8.374 -11.692 -10.943 1.00 0.00 O ATOM 1943 CB VAL A 120 -9.029 -11.125 -7.955 1.00 0.00 C ATOM 1944 CG1 VAL A 120 -8.189 -9.949 -8.428 1.00 0.00 C ATOM 1945 CG2 VAL A 120 -10.510 -10.860 -8.184 1.00 0.00 C ATOM 0 H VAL A 120 -6.726 -12.165 -7.755 1.00 0.00 H new ATOM 0 HA VAL A 120 -9.087 -13.269 -8.192 1.00 0.00 H new ATOM 0 HB VAL A 120 -8.867 -11.249 -6.884 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -8.509 -9.043 -7.913 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -7.139 -10.140 -8.208 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -8.316 -9.820 -9.503 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -10.798 -9.941 -7.673 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -10.700 -10.756 -9.252 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -11.094 -11.692 -7.791 1.00 0.00 H new ATOM 1955 N GLN A 121 -10.117 -13.030 -10.456 1.00 0.00 N ATOM 1956 CA GLN A 121 -10.629 -13.044 -11.821 1.00 0.00 C ATOM 1957 C GLN A 121 -11.650 -11.930 -12.030 1.00 0.00 C ATOM 1958 O GLN A 121 -12.829 -12.086 -11.711 1.00 0.00 O ATOM 1959 CB GLN A 121 -11.263 -14.399 -12.136 1.00 0.00 C ATOM 1960 CG GLN A 121 -10.285 -15.561 -12.058 1.00 0.00 C ATOM 1961 CD GLN A 121 -9.127 -15.415 -13.025 1.00 0.00 C ATOM 1962 OE1 GLN A 121 -9.276 -14.853 -14.110 1.00 0.00 O ATOM 1963 NE2 GLN A 121 -7.963 -15.922 -12.635 1.00 0.00 N ATOM 0 H GLN A 121 -10.665 -13.579 -9.794 1.00 0.00 H new ATOM 0 HA GLN A 121 -9.792 -12.877 -12.499 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -12.083 -14.578 -11.440 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -11.695 -14.365 -13.136 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -9.898 -15.637 -11.042 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -10.814 -16.491 -12.268 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -7.885 -16.380 -11.727 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -7.147 -15.854 -13.244 1.00 0.00 H new ATOM 1972 N THR A 122 -11.190 -10.805 -12.569 1.00 0.00 N ATOM 1973 CA THR A 122 -12.062 -9.665 -12.820 1.00 0.00 C ATOM 1974 C THR A 122 -11.395 -8.656 -13.747 1.00 0.00 C ATOM 1975 O THR A 122 -10.198 -8.393 -13.635 1.00 0.00 O ATOM 1976 CB THR A 122 -12.456 -8.960 -11.509 1.00 0.00 C ATOM 1977 OG1 THR A 122 -13.633 -8.171 -11.711 1.00 0.00 O ATOM 1978 CG2 THR A 122 -11.324 -8.073 -11.011 1.00 0.00 C ATOM 0 H THR A 122 -10.218 -10.659 -12.840 1.00 0.00 H new ATOM 0 HA THR A 122 -12.961 -10.054 -13.298 1.00 0.00 H new ATOM 0 HB THR A 122 -12.656 -9.724 -10.758 1.00 0.00 H new ATOM 0 HG1 THR A 122 -13.878 -7.728 -10.872 1.00 0.00 H new ATOM 0 HG21 THR A 122 -11.625 -7.585 -10.084 1.00 0.00 H new ATOM 0 HG22 THR A 122 -10.438 -8.681 -10.830 1.00 0.00 H new ATOM 0 HG23 THR A 122 -11.097 -7.316 -11.762 1.00 0.00 H new ATOM 1986 N SER A 123 -12.177 -8.092 -14.662 1.00 0.00 N ATOM 1987 CA SER A 123 -11.660 -7.113 -15.611 1.00 0.00 C ATOM 1988 C SER A 123 -12.740 -6.105 -15.994 1.00 0.00 C ATOM 1989 O SER A 123 -13.715 -6.447 -16.661 1.00 0.00 O ATOM 1990 CB SER A 123 -11.134 -7.815 -16.865 1.00 0.00 C ATOM 1991 OG SER A 123 -10.076 -7.079 -17.454 1.00 0.00 O ATOM 0 H SER A 123 -13.171 -8.296 -14.766 1.00 0.00 H new ATOM 0 HA SER A 123 -10.840 -6.577 -15.132 1.00 0.00 H new ATOM 0 HB2 SER A 123 -10.786 -8.815 -16.607 1.00 0.00 H new ATOM 0 HB3 SER A 123 -11.943 -7.935 -17.585 1.00 0.00 H new ATOM 0 HG SER A 123 -9.756 -7.549 -18.252 1.00 0.00 H new ATOM 1997 N GLY A 124 -12.557 -4.860 -15.565 1.00 0.00 N ATOM 1998 CA GLY A 124 -13.522 -3.821 -15.872 1.00 0.00 C ATOM 1999 C GLY A 124 -13.317 -3.227 -17.252 1.00 0.00 C ATOM 2000 O GLY A 124 -13.800 -3.753 -18.255 1.00 0.00 O ATOM 0 H GLY A 124 -11.758 -4.553 -15.011 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -14.529 -4.233 -15.803 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -13.450 -3.030 -15.125 1.00 0.00 H new ATOM 2004 N PRO A 125 -12.585 -2.105 -17.315 1.00 0.00 N ATOM 2005 CA PRO A 125 -12.302 -1.415 -18.576 1.00 0.00 C ATOM 2006 C PRO A 125 -11.200 -2.100 -19.377 1.00 0.00 C ATOM 2007 O PRO A 125 -10.621 -3.091 -18.933 1.00 0.00 O ATOM 2008 CB PRO A 125 -11.849 -0.024 -18.126 1.00 0.00 C ATOM 2009 CG PRO A 125 -11.269 -0.235 -16.770 1.00 0.00 C ATOM 2010 CD PRO A 125 -11.978 -1.423 -16.159 1.00 0.00 C ATOM 0 HA PRO A 125 -13.169 -1.403 -19.237 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -11.111 0.393 -18.812 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -12.686 0.674 -18.095 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -10.197 -0.419 -16.835 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -11.403 0.653 -16.152 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -11.283 -2.075 -15.630 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -12.733 -1.110 -15.438 1.00 0.00 H new ATOM 2018 N SER A 126 -10.915 -1.565 -20.560 1.00 0.00 N ATOM 2019 CA SER A 126 -9.884 -2.128 -21.425 1.00 0.00 C ATOM 2020 C SER A 126 -8.665 -1.213 -21.483 1.00 0.00 C ATOM 2021 O SER A 126 -7.530 -1.660 -21.317 1.00 0.00 O ATOM 2022 CB SER A 126 -10.436 -2.351 -22.834 1.00 0.00 C ATOM 2023 OG SER A 126 -9.502 -3.044 -23.644 1.00 0.00 O ATOM 0 H SER A 126 -11.383 -0.743 -20.941 1.00 0.00 H new ATOM 0 HA SER A 126 -9.578 -3.087 -21.007 1.00 0.00 H new ATOM 0 HB2 SER A 126 -11.365 -2.918 -22.778 1.00 0.00 H new ATOM 0 HB3 SER A 126 -10.676 -1.391 -23.290 1.00 0.00 H new ATOM 0 HG SER A 126 -9.879 -3.175 -24.539 1.00 0.00 H new ATOM 2029 N SER A 127 -8.908 0.072 -21.721 1.00 0.00 N ATOM 2030 CA SER A 127 -7.831 1.052 -21.806 1.00 0.00 C ATOM 2031 C SER A 127 -7.742 1.873 -20.524 1.00 0.00 C ATOM 2032 O SER A 127 -8.754 2.331 -19.995 1.00 0.00 O ATOM 2033 CB SER A 127 -8.048 1.977 -23.004 1.00 0.00 C ATOM 2034 OG SER A 127 -9.060 2.932 -22.734 1.00 0.00 O ATOM 0 H SER A 127 -9.842 0.459 -21.858 1.00 0.00 H new ATOM 0 HA SER A 127 -6.892 0.514 -21.938 1.00 0.00 H new ATOM 0 HB2 SER A 127 -7.116 2.488 -23.246 1.00 0.00 H new ATOM 0 HB3 SER A 127 -8.324 1.387 -23.878 1.00 0.00 H new ATOM 0 HG SER A 127 -9.179 3.513 -23.515 1.00 0.00 H new ATOM 2040 N GLY A 128 -6.521 2.056 -20.029 1.00 0.00 N ATOM 2041 CA GLY A 128 -6.321 2.822 -18.813 1.00 0.00 C ATOM 2042 C GLY A 128 -5.474 4.059 -19.039 1.00 0.00 C ATOM 2043 O GLY A 128 -4.266 3.961 -19.255 1.00 0.00 O ATOM 0 H GLY A 128 -5.668 1.687 -20.449 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -7.290 3.118 -18.410 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -5.843 2.190 -18.064 1.00 0.00 H new TER 2047 GLY A 128