USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 567 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 39 THR OG1 : rot -130:sc= -0.0555 USER MOD Set 1.2: A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 23 ASN : amide:sc= -1.96 X(o=-2.2,f=-2!) USER MOD Set 2.2: A 33 THR OG1 : rot 180:sc= -0.278 USER MOD Set 3.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 32 GLN : amide:sc= -0.282 K(o=-0.28,f=-1.9!) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.17) USER MOD Single : A 3 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0383) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0802 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= -2.02! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.709 K(o=-0.71,f=-4!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -3.17! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 50:sc= 0.168 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -2.16! K(o=-2.2!,f=-1.6) USER MOD Single : A 61 TYR OH : rot 172:sc= -1.06 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0489 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot -120:sc= -8.05! USER MOD Single : A 71 THR OG1 : rot -179:sc= -1.62 USER MOD Single : A 73 ASN : amide:sc= -3.09 K(o=-3.1,f=-0.48) USER MOD Single : A 75 LYS NZ :NH3+ 178:sc=-0.00259 (180deg=-0.00869) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -37.768 -32.747 -5.467 1.00 0.00 N ATOM 2 CA GLU A 1 -39.155 -32.450 -5.925 1.00 0.00 C ATOM 3 C GLU A 1 -39.622 -31.134 -5.298 1.00 0.00 C ATOM 4 O GLU A 1 -39.662 -30.107 -5.947 1.00 0.00 O ATOM 5 CB GLU A 1 -40.086 -33.584 -5.493 1.00 0.00 C ATOM 6 CG GLU A 1 -40.631 -34.295 -6.733 1.00 0.00 C ATOM 7 CD GLU A 1 -42.089 -34.689 -6.497 1.00 0.00 C ATOM 8 OE1 GLU A 1 -42.393 -35.132 -5.401 1.00 0.00 O ATOM 9 OE2 GLU A 1 -42.879 -34.541 -7.415 1.00 0.00 O ATOM 0 H1 GLU A 1 -37.446 -33.641 -5.891 1.00 0.00 H new ATOM 0 H2 GLU A 1 -37.133 -31.977 -5.760 1.00 0.00 H new ATOM 0 H3 GLU A 1 -37.755 -32.831 -4.430 1.00 0.00 H new ATOM 0 HA GLU A 1 -39.173 -32.362 -7.011 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -39.547 -34.291 -4.862 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -40.908 -33.187 -4.897 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -40.556 -33.641 -7.602 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -40.034 -35.181 -6.948 1.00 0.00 H new ATOM 18 N ASN A 2 -39.971 -31.154 -4.041 1.00 0.00 N ATOM 19 CA ASN A 2 -40.427 -29.904 -3.372 1.00 0.00 C ATOM 20 C ASN A 2 -39.841 -29.848 -1.959 1.00 0.00 C ATOM 21 O ASN A 2 -39.709 -30.856 -1.294 1.00 0.00 O ATOM 22 CB ASN A 2 -41.956 -29.889 -3.288 1.00 0.00 C ATOM 23 CG ASN A 2 -42.550 -29.875 -4.698 1.00 0.00 C ATOM 24 OD1 ASN A 2 -43.137 -30.846 -5.131 1.00 0.00 O ATOM 25 ND2 ASN A 2 -42.421 -28.808 -5.438 1.00 0.00 N ATOM 0 H ASN A 2 -39.960 -31.984 -3.448 1.00 0.00 H new ATOM 0 HA ASN A 2 -40.090 -29.041 -3.947 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -42.308 -30.765 -2.743 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -42.291 -29.012 -2.733 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -42.813 -28.790 -6.379 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -41.928 -27.992 -5.075 1.00 0.00 H new ATOM 32 N LYS A 3 -39.491 -28.681 -1.495 1.00 0.00 N ATOM 33 CA LYS A 3 -38.918 -28.570 -0.124 1.00 0.00 C ATOM 34 C LYS A 3 -37.625 -29.385 -0.048 1.00 0.00 C ATOM 35 O LYS A 3 -37.117 -29.662 1.021 1.00 0.00 O ATOM 36 CB LYS A 3 -39.926 -29.115 0.891 1.00 0.00 C ATOM 37 CG LYS A 3 -40.157 -28.077 1.990 1.00 0.00 C ATOM 38 CD LYS A 3 -41.361 -28.489 2.838 1.00 0.00 C ATOM 39 CE LYS A 3 -41.201 -27.935 4.255 1.00 0.00 C ATOM 40 NZ LYS A 3 -41.318 -26.449 4.222 1.00 0.00 N ATOM 0 H LYS A 3 -39.576 -27.801 -2.004 1.00 0.00 H new ATOM 0 HA LYS A 3 -38.703 -27.525 0.101 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -40.867 -29.350 0.394 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -39.555 -30.043 1.325 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -39.269 -27.992 2.617 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -40.329 -27.096 1.547 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -42.281 -28.112 2.390 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -41.443 -29.575 2.868 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -41.963 -28.356 4.910 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -40.233 -28.226 4.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -41.345 -26.081 5.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -40.499 -26.047 3.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -42.192 -26.180 3.726 1.00 0.00 H new ATOM 54 N GLU A 4 -37.089 -29.773 -1.174 1.00 0.00 N ATOM 55 CA GLU A 4 -35.833 -30.573 -1.164 1.00 0.00 C ATOM 56 C GLU A 4 -34.950 -30.160 -2.349 1.00 0.00 C ATOM 57 O GLU A 4 -35.371 -29.433 -3.225 1.00 0.00 O ATOM 58 CB GLU A 4 -36.177 -32.059 -1.283 1.00 0.00 C ATOM 59 CG GLU A 4 -36.738 -32.566 0.047 1.00 0.00 C ATOM 60 CD GLU A 4 -37.967 -33.437 -0.219 1.00 0.00 C ATOM 61 OE1 GLU A 4 -37.785 -34.597 -0.555 1.00 0.00 O ATOM 62 OE2 GLU A 4 -39.069 -32.931 -0.083 1.00 0.00 O ATOM 0 H GLU A 4 -37.467 -29.570 -2.099 1.00 0.00 H new ATOM 0 HA GLU A 4 -35.297 -30.394 -0.232 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -36.907 -32.211 -2.078 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -35.287 -32.628 -1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -35.980 -33.141 0.579 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -37.006 -31.724 0.686 1.00 0.00 H new ATOM 69 N GLU A 5 -33.729 -30.626 -2.376 1.00 0.00 N ATOM 70 CA GLU A 5 -32.803 -30.279 -3.497 1.00 0.00 C ATOM 71 C GLU A 5 -32.519 -28.767 -3.502 1.00 0.00 C ATOM 72 O GLU A 5 -31.522 -28.321 -2.968 1.00 0.00 O ATOM 73 CB GLU A 5 -33.419 -30.714 -4.833 1.00 0.00 C ATOM 74 CG GLU A 5 -32.318 -31.256 -5.746 1.00 0.00 C ATOM 75 CD GLU A 5 -32.178 -32.766 -5.543 1.00 0.00 C ATOM 76 OE1 GLU A 5 -32.759 -33.272 -4.597 1.00 0.00 O ATOM 77 OE2 GLU A 5 -31.491 -33.390 -6.335 1.00 0.00 O ATOM 0 H GLU A 5 -33.329 -31.237 -1.664 1.00 0.00 H new ATOM 0 HA GLU A 5 -31.859 -30.806 -3.357 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -34.177 -31.479 -4.665 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -33.918 -29.870 -5.308 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -32.556 -31.040 -6.787 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -31.373 -30.760 -5.526 1.00 0.00 H new ATOM 84 N THR A 6 -33.372 -27.971 -4.094 1.00 0.00 N ATOM 85 CA THR A 6 -33.122 -26.502 -4.117 1.00 0.00 C ATOM 86 C THR A 6 -34.463 -25.755 -4.117 1.00 0.00 C ATOM 87 O THR A 6 -35.118 -25.667 -5.138 1.00 0.00 O ATOM 88 CB THR A 6 -32.339 -26.134 -5.380 1.00 0.00 C ATOM 89 OG1 THR A 6 -31.169 -26.938 -5.463 1.00 0.00 O ATOM 90 CG2 THR A 6 -31.944 -24.657 -5.323 1.00 0.00 C ATOM 0 H THR A 6 -34.227 -28.275 -4.560 1.00 0.00 H new ATOM 0 HA THR A 6 -32.545 -26.220 -3.236 1.00 0.00 H new ATOM 0 HB THR A 6 -32.961 -26.308 -6.258 1.00 0.00 H new ATOM 0 HG1 THR A 6 -30.668 -26.704 -6.272 1.00 0.00 H new ATOM 0 HG21 THR A 6 -31.386 -24.395 -6.222 1.00 0.00 H new ATOM 0 HG22 THR A 6 -32.842 -24.042 -5.261 1.00 0.00 H new ATOM 0 HG23 THR A 6 -31.322 -24.480 -4.446 1.00 0.00 H new ATOM 98 N PRO A 7 -34.834 -25.240 -2.971 1.00 0.00 N ATOM 99 CA PRO A 7 -36.098 -24.496 -2.818 1.00 0.00 C ATOM 100 C PRO A 7 -36.111 -23.259 -3.720 1.00 0.00 C ATOM 101 O PRO A 7 -36.968 -23.107 -4.568 1.00 0.00 O ATOM 102 CB PRO A 7 -36.133 -24.080 -1.340 1.00 0.00 C ATOM 103 CG PRO A 7 -34.840 -24.611 -0.670 1.00 0.00 C ATOM 104 CD PRO A 7 -34.031 -25.358 -1.741 1.00 0.00 C ATOM 0 HA PRO A 7 -36.962 -25.097 -3.100 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -36.193 -22.995 -1.249 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -37.015 -24.490 -0.848 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -34.258 -23.788 -0.256 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -35.084 -25.276 0.158 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -33.043 -24.916 -1.870 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -33.880 -26.402 -1.466 1.00 0.00 H new ATOM 112 N GLU A 8 -35.174 -22.367 -3.538 1.00 0.00 N ATOM 113 CA GLU A 8 -35.146 -21.134 -4.381 1.00 0.00 C ATOM 114 C GLU A 8 -33.712 -20.602 -4.458 1.00 0.00 C ATOM 115 O GLU A 8 -32.763 -21.327 -4.241 1.00 0.00 O ATOM 116 CB GLU A 8 -36.063 -20.058 -3.772 1.00 0.00 C ATOM 117 CG GLU A 8 -36.703 -20.569 -2.473 1.00 0.00 C ATOM 118 CD GLU A 8 -37.191 -19.383 -1.641 1.00 0.00 C ATOM 119 OE1 GLU A 8 -36.358 -18.716 -1.049 1.00 0.00 O ATOM 120 OE2 GLU A 8 -38.391 -19.163 -1.607 1.00 0.00 O ATOM 0 H GLU A 8 -34.429 -22.437 -2.845 1.00 0.00 H new ATOM 0 HA GLU A 8 -35.500 -21.377 -5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -35.488 -19.154 -3.570 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -36.841 -19.788 -4.486 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -37.537 -21.232 -2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -35.979 -21.152 -1.904 1.00 0.00 H new ATOM 127 N THR A 9 -33.550 -19.341 -4.774 1.00 0.00 N ATOM 128 CA THR A 9 -32.179 -18.754 -4.872 1.00 0.00 C ATOM 129 C THR A 9 -31.296 -19.316 -3.745 1.00 0.00 C ATOM 130 O THR A 9 -31.659 -19.243 -2.588 1.00 0.00 O ATOM 131 CB THR A 9 -32.268 -17.232 -4.737 1.00 0.00 C ATOM 132 OG1 THR A 9 -30.959 -16.684 -4.708 1.00 0.00 O ATOM 133 CG2 THR A 9 -33.002 -16.877 -3.444 1.00 0.00 C ATOM 0 H THR A 9 -34.312 -18.691 -4.969 1.00 0.00 H new ATOM 0 HA THR A 9 -31.742 -19.011 -5.837 1.00 0.00 H new ATOM 0 HB THR A 9 -32.814 -16.821 -5.586 1.00 0.00 H new ATOM 0 HG1 THR A 9 -31.014 -15.709 -4.623 1.00 0.00 H new ATOM 0 HG21 THR A 9 -33.066 -15.793 -3.348 1.00 0.00 H new ATOM 0 HG22 THR A 9 -34.007 -17.299 -3.469 1.00 0.00 H new ATOM 0 HG23 THR A 9 -32.458 -17.286 -2.593 1.00 0.00 H new ATOM 141 N PRO A 10 -30.164 -19.868 -4.116 1.00 0.00 N ATOM 142 CA PRO A 10 -29.224 -20.457 -3.144 1.00 0.00 C ATOM 143 C PRO A 10 -28.683 -19.383 -2.198 1.00 0.00 C ATOM 144 O PRO A 10 -27.980 -18.480 -2.607 1.00 0.00 O ATOM 145 CB PRO A 10 -28.088 -21.039 -3.996 1.00 0.00 C ATOM 146 CG PRO A 10 -28.387 -20.694 -5.478 1.00 0.00 C ATOM 147 CD PRO A 10 -29.729 -19.949 -5.522 1.00 0.00 C ATOM 0 HA PRO A 10 -29.702 -21.213 -2.520 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -27.129 -20.621 -3.692 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -28.022 -22.119 -3.860 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -27.592 -20.075 -5.895 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -28.433 -21.601 -6.080 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -29.616 -18.957 -5.958 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -30.458 -20.484 -6.131 1.00 0.00 H new ATOM 155 N GLU A 11 -28.997 -19.476 -0.936 1.00 0.00 N ATOM 156 CA GLU A 11 -28.490 -18.463 0.030 1.00 0.00 C ATOM 157 C GLU A 11 -28.865 -17.061 -0.450 1.00 0.00 C ATOM 158 O GLU A 11 -29.570 -16.895 -1.425 1.00 0.00 O ATOM 159 CB GLU A 11 -26.968 -18.576 0.128 1.00 0.00 C ATOM 160 CG GLU A 11 -26.582 -19.126 1.501 1.00 0.00 C ATOM 161 CD GLU A 11 -25.154 -18.693 1.840 1.00 0.00 C ATOM 162 OE1 GLU A 11 -24.365 -18.548 0.921 1.00 0.00 O ATOM 163 OE2 GLU A 11 -24.873 -18.514 3.014 1.00 0.00 O ATOM 0 H GLU A 11 -29.582 -20.208 -0.533 1.00 0.00 H new ATOM 0 HA GLU A 11 -28.936 -18.640 1.009 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -26.591 -19.232 -0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -26.510 -17.599 -0.025 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -27.274 -18.760 2.259 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -26.654 -20.214 1.502 1.00 0.00 H new ATOM 170 N THR A 12 -28.395 -16.053 0.230 1.00 0.00 N ATOM 171 CA THR A 12 -28.715 -14.662 -0.177 1.00 0.00 C ATOM 172 C THR A 12 -27.417 -13.885 -0.405 1.00 0.00 C ATOM 173 O THR A 12 -27.125 -12.930 0.286 1.00 0.00 O ATOM 174 CB THR A 12 -29.526 -13.982 0.928 1.00 0.00 C ATOM 175 OG1 THR A 12 -28.995 -14.348 2.195 1.00 0.00 O ATOM 176 CG2 THR A 12 -30.987 -14.424 0.840 1.00 0.00 C ATOM 0 H THR A 12 -27.800 -16.136 1.054 1.00 0.00 H new ATOM 0 HA THR A 12 -29.296 -14.678 -1.099 1.00 0.00 H new ATOM 0 HB THR A 12 -29.469 -12.900 0.806 1.00 0.00 H new ATOM 0 HG1 THR A 12 -29.512 -13.912 2.905 1.00 0.00 H new ATOM 0 HG21 THR A 12 -31.562 -13.938 1.628 1.00 0.00 H new ATOM 0 HG22 THR A 12 -31.394 -14.144 -0.132 1.00 0.00 H new ATOM 0 HG23 THR A 12 -31.048 -15.506 0.961 1.00 0.00 H new ATOM 184 N ASP A 13 -26.634 -14.286 -1.369 1.00 0.00 N ATOM 185 CA ASP A 13 -25.357 -13.567 -1.634 1.00 0.00 C ATOM 186 C ASP A 13 -25.641 -12.289 -2.428 1.00 0.00 C ATOM 187 O ASP A 13 -24.735 -11.590 -2.837 1.00 0.00 O ATOM 188 CB ASP A 13 -24.420 -14.466 -2.443 1.00 0.00 C ATOM 189 CG ASP A 13 -24.537 -15.906 -1.946 1.00 0.00 C ATOM 190 OD1 ASP A 13 -24.838 -16.087 -0.778 1.00 0.00 O ATOM 191 OD2 ASP A 13 -24.323 -16.806 -2.742 1.00 0.00 O ATOM 0 H ASP A 13 -26.823 -15.078 -1.983 1.00 0.00 H new ATOM 0 HA ASP A 13 -24.887 -13.310 -0.685 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -24.674 -14.414 -3.502 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -23.391 -14.119 -2.344 1.00 0.00 H new ATOM 196 N SER A 14 -26.888 -11.980 -2.656 1.00 0.00 N ATOM 197 CA SER A 14 -27.221 -10.751 -3.428 1.00 0.00 C ATOM 198 C SER A 14 -27.646 -9.639 -2.465 1.00 0.00 C ATOM 199 O SER A 14 -28.518 -8.847 -2.762 1.00 0.00 O ATOM 200 CB SER A 14 -28.363 -11.052 -4.398 1.00 0.00 C ATOM 201 OG SER A 14 -29.537 -11.365 -3.659 1.00 0.00 O ATOM 0 H SER A 14 -27.690 -12.526 -2.341 1.00 0.00 H new ATOM 0 HA SER A 14 -26.344 -10.427 -3.989 1.00 0.00 H new ATOM 0 HB2 SER A 14 -28.544 -10.192 -5.043 1.00 0.00 H new ATOM 0 HB3 SER A 14 -28.094 -11.886 -5.046 1.00 0.00 H new ATOM 0 HG SER A 14 -30.272 -11.557 -4.278 1.00 0.00 H new ATOM 207 N GLU A 15 -27.033 -9.572 -1.315 1.00 0.00 N ATOM 208 CA GLU A 15 -27.399 -8.508 -0.337 1.00 0.00 C ATOM 209 C GLU A 15 -26.329 -7.416 -0.359 1.00 0.00 C ATOM 210 O GLU A 15 -25.997 -6.836 0.656 1.00 0.00 O ATOM 211 CB GLU A 15 -27.483 -9.110 1.067 1.00 0.00 C ATOM 212 CG GLU A 15 -28.899 -8.927 1.612 1.00 0.00 C ATOM 213 CD GLU A 15 -29.029 -9.665 2.944 1.00 0.00 C ATOM 214 OE1 GLU A 15 -28.455 -9.201 3.916 1.00 0.00 O ATOM 215 OE2 GLU A 15 -29.700 -10.683 2.971 1.00 0.00 O ATOM 0 H GLU A 15 -26.295 -10.207 -1.010 1.00 0.00 H new ATOM 0 HA GLU A 15 -28.365 -8.081 -0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -27.227 -10.169 1.037 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -26.762 -8.626 1.726 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -29.114 -7.867 1.748 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -29.628 -9.311 0.898 1.00 0.00 H new ATOM 222 N GLU A 16 -25.785 -7.134 -1.510 1.00 0.00 N ATOM 223 CA GLU A 16 -24.734 -6.082 -1.602 1.00 0.00 C ATOM 224 C GLU A 16 -24.332 -5.896 -3.065 1.00 0.00 C ATOM 225 O GLU A 16 -24.413 -6.810 -3.861 1.00 0.00 O ATOM 226 CB GLU A 16 -23.507 -6.507 -0.786 1.00 0.00 C ATOM 227 CG GLU A 16 -23.388 -8.034 -0.788 1.00 0.00 C ATOM 228 CD GLU A 16 -21.911 -8.432 -0.794 1.00 0.00 C ATOM 229 OE1 GLU A 16 -21.281 -8.312 0.244 1.00 0.00 O ATOM 230 OE2 GLU A 16 -21.435 -8.851 -1.836 1.00 0.00 O ATOM 0 H GLU A 16 -26.023 -7.587 -2.392 1.00 0.00 H new ATOM 0 HA GLU A 16 -25.123 -5.144 -1.206 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -22.606 -6.062 -1.208 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -23.594 -6.141 0.237 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -23.884 -8.449 0.090 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -23.890 -8.447 -1.663 1.00 0.00 H new ATOM 237 N GLU A 17 -23.903 -4.719 -3.428 1.00 0.00 N ATOM 238 CA GLU A 17 -23.501 -4.482 -4.841 1.00 0.00 C ATOM 239 C GLU A 17 -22.560 -3.279 -4.917 1.00 0.00 C ATOM 240 O GLU A 17 -22.726 -2.407 -5.747 1.00 0.00 O ATOM 241 CB GLU A 17 -24.748 -4.198 -5.681 1.00 0.00 C ATOM 242 CG GLU A 17 -24.721 -5.062 -6.943 1.00 0.00 C ATOM 243 CD GLU A 17 -24.720 -4.160 -8.179 1.00 0.00 C ATOM 244 OE1 GLU A 17 -25.724 -3.508 -8.414 1.00 0.00 O ATOM 245 OE2 GLU A 17 -23.715 -4.136 -8.870 1.00 0.00 O ATOM 0 H GLU A 17 -23.814 -3.914 -2.809 1.00 0.00 H new ATOM 0 HA GLU A 17 -22.990 -5.366 -5.223 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -25.646 -4.411 -5.101 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -24.785 -3.143 -5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -23.835 -5.697 -6.943 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -25.588 -5.723 -6.963 1.00 0.00 H new ATOM 252 N VAL A 18 -21.570 -3.219 -4.067 1.00 0.00 N ATOM 253 CA VAL A 18 -20.634 -2.066 -4.117 1.00 0.00 C ATOM 254 C VAL A 18 -19.249 -2.531 -3.684 1.00 0.00 C ATOM 255 O VAL A 18 -18.907 -2.511 -2.518 1.00 0.00 O ATOM 256 CB VAL A 18 -21.131 -0.963 -3.183 1.00 0.00 C ATOM 257 CG1 VAL A 18 -21.420 -1.558 -1.806 1.00 0.00 C ATOM 258 CG2 VAL A 18 -20.065 0.126 -3.055 1.00 0.00 C ATOM 0 H VAL A 18 -21.372 -3.914 -3.347 1.00 0.00 H new ATOM 0 HA VAL A 18 -20.584 -1.673 -5.132 1.00 0.00 H new ATOM 0 HB VAL A 18 -22.042 -0.527 -3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -21.775 -0.773 -1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -22.184 -2.330 -1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -20.508 -1.996 -1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -20.424 0.910 -2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -19.151 -0.306 -2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -19.859 0.551 -4.037 1.00 0.00 H new ATOM 268 N THR A 19 -18.452 -2.956 -4.620 1.00 0.00 N ATOM 269 CA THR A 19 -17.088 -3.432 -4.280 1.00 0.00 C ATOM 270 C THR A 19 -16.075 -2.335 -4.597 1.00 0.00 C ATOM 271 O THR A 19 -16.004 -1.842 -5.707 1.00 0.00 O ATOM 272 CB THR A 19 -16.768 -4.671 -5.115 1.00 0.00 C ATOM 273 OG1 THR A 19 -17.687 -5.707 -4.798 1.00 0.00 O ATOM 274 CG2 THR A 19 -15.342 -5.135 -4.822 1.00 0.00 C ATOM 0 H THR A 19 -18.689 -2.994 -5.611 1.00 0.00 H new ATOM 0 HA THR A 19 -17.038 -3.678 -3.219 1.00 0.00 H new ATOM 0 HB THR A 19 -16.853 -4.426 -6.174 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.483 -6.501 -5.335 1.00 0.00 H new ATOM 0 HG21 THR A 19 -15.117 -6.019 -5.419 1.00 0.00 H new ATOM 0 HG22 THR A 19 -14.641 -4.339 -5.074 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.249 -5.379 -3.764 1.00 0.00 H new ATOM 282 N ILE A 20 -15.282 -1.957 -3.640 1.00 0.00 N ATOM 283 CA ILE A 20 -14.263 -0.904 -3.890 1.00 0.00 C ATOM 284 C ILE A 20 -13.006 -1.589 -4.429 1.00 0.00 C ATOM 285 O ILE A 20 -12.836 -2.782 -4.275 1.00 0.00 O ATOM 286 CB ILE A 20 -13.963 -0.192 -2.571 1.00 0.00 C ATOM 287 CG1 ILE A 20 -13.146 1.075 -2.824 1.00 0.00 C ATOM 288 CG2 ILE A 20 -13.176 -1.126 -1.664 1.00 0.00 C ATOM 289 CD1 ILE A 20 -13.837 2.263 -2.151 1.00 0.00 C ATOM 0 H ILE A 20 -15.294 -2.332 -2.692 1.00 0.00 H new ATOM 0 HA ILE A 20 -14.617 -0.169 -4.613 1.00 0.00 H new ATOM 0 HB ILE A 20 -14.904 0.084 -2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.137 0.956 -2.430 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.052 1.253 -3.895 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -12.960 -0.622 -0.722 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -13.763 -2.024 -1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -12.241 -1.403 -2.150 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -13.258 3.169 -2.329 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -14.838 2.385 -2.566 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -13.908 2.083 -1.078 1.00 0.00 H new ATOM 301 N LYS A 21 -12.129 -0.871 -5.074 1.00 0.00 N ATOM 302 CA LYS A 21 -10.913 -1.539 -5.618 1.00 0.00 C ATOM 303 C LYS A 21 -9.712 -0.592 -5.575 1.00 0.00 C ATOM 304 O LYS A 21 -9.535 0.248 -6.436 1.00 0.00 O ATOM 305 CB LYS A 21 -11.176 -1.964 -7.064 1.00 0.00 C ATOM 306 CG LYS A 21 -10.748 -3.422 -7.261 1.00 0.00 C ATOM 307 CD LYS A 21 -10.778 -3.765 -8.752 1.00 0.00 C ATOM 308 CE LYS A 21 -11.542 -5.074 -8.966 1.00 0.00 C ATOM 309 NZ LYS A 21 -11.157 -5.664 -10.280 1.00 0.00 N ATOM 0 H LYS A 21 -12.198 0.132 -5.246 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.688 -2.413 -5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.234 -1.851 -7.299 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.626 -1.318 -7.749 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.745 -3.575 -6.862 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.415 -4.086 -6.711 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.254 -2.959 -9.311 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.761 -3.860 -9.134 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.318 -5.774 -8.161 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.616 -4.890 -8.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.676 -6.554 -10.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.392 -4.997 -11.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.135 -5.854 -10.289 1.00 0.00 H new ATOM 323 N ALA A 22 -8.869 -0.743 -4.589 1.00 0.00 N ATOM 324 CA ALA A 22 -7.659 0.121 -4.497 1.00 0.00 C ATOM 325 C ALA A 22 -6.477 -0.663 -5.061 1.00 0.00 C ATOM 326 O ALA A 22 -6.094 -1.690 -4.536 1.00 0.00 O ATOM 327 CB ALA A 22 -7.387 0.484 -3.036 1.00 0.00 C ATOM 0 H ALA A 22 -8.967 -1.430 -3.841 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.809 1.042 -5.060 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.501 1.116 -2.977 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.244 1.021 -2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.223 -0.426 -2.459 1.00 0.00 H new ATOM 333 N ASN A 23 -5.915 -0.211 -6.146 1.00 0.00 N ATOM 334 CA ASN A 23 -4.786 -0.960 -6.757 1.00 0.00 C ATOM 335 C ASN A 23 -3.441 -0.566 -6.135 1.00 0.00 C ATOM 336 O ASN A 23 -3.356 0.315 -5.304 1.00 0.00 O ATOM 337 CB ASN A 23 -4.759 -0.687 -8.255 1.00 0.00 C ATOM 338 CG ASN A 23 -5.359 -1.873 -9.006 1.00 0.00 C ATOM 339 OD1 ASN A 23 -4.662 -2.807 -9.352 1.00 0.00 O ATOM 340 ND2 ASN A 23 -6.634 -1.873 -9.273 1.00 0.00 N ATOM 0 H ASN A 23 -6.188 0.642 -6.634 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.939 -2.023 -6.568 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.321 0.220 -8.479 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.734 -0.516 -8.585 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.050 -2.658 -9.774 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.216 -1.088 -8.981 1.00 0.00 H new ATOM 347 N LEU A 24 -2.387 -1.229 -6.545 1.00 0.00 N ATOM 348 CA LEU A 24 -1.033 -0.922 -6.001 1.00 0.00 C ATOM 349 C LEU A 24 -0.017 -0.885 -7.151 1.00 0.00 C ATOM 350 O LEU A 24 0.770 -1.795 -7.322 1.00 0.00 O ATOM 351 CB LEU A 24 -0.624 -2.012 -5.013 1.00 0.00 C ATOM 352 CG LEU A 24 -1.491 -1.911 -3.762 1.00 0.00 C ATOM 353 CD1 LEU A 24 -2.149 -3.261 -3.494 1.00 0.00 C ATOM 354 CD2 LEU A 24 -0.617 -1.518 -2.569 1.00 0.00 C ATOM 0 H LEU A 24 -2.410 -1.976 -7.239 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.056 0.044 -5.497 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.739 -2.995 -5.470 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.428 -1.904 -4.750 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.262 -1.155 -3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.769 -3.192 -2.600 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.769 -3.539 -4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.379 -4.018 -3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.235 -1.445 -1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.154 -2.274 -2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.146 -0.554 -2.764 1.00 0.00 H new ATOM 366 N ILE A 25 -0.036 0.149 -7.945 1.00 0.00 N ATOM 367 CA ILE A 25 0.916 0.236 -9.095 1.00 0.00 C ATOM 368 C ILE A 25 2.281 0.737 -8.628 1.00 0.00 C ATOM 369 O ILE A 25 2.390 1.775 -8.013 1.00 0.00 O ATOM 370 CB ILE A 25 0.368 1.216 -10.125 1.00 0.00 C ATOM 371 CG1 ILE A 25 -1.096 0.859 -10.426 1.00 0.00 C ATOM 372 CG2 ILE A 25 1.216 1.129 -11.399 1.00 0.00 C ATOM 373 CD1 ILE A 25 -1.474 1.302 -11.842 1.00 0.00 C ATOM 0 H ILE A 25 -0.671 0.942 -7.849 1.00 0.00 H new ATOM 0 HA ILE A 25 1.027 -0.758 -9.529 1.00 0.00 H new ATOM 0 HB ILE A 25 0.412 2.235 -9.741 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.243 -0.216 -10.323 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.751 1.341 -9.700 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.830 1.828 -12.141 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.250 1.382 -11.166 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.172 0.115 -11.797 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.514 1.042 -12.039 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.347 2.381 -11.932 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.831 0.799 -12.564 1.00 0.00 H new ATOM 385 N PHE A 26 3.325 0.019 -8.935 1.00 0.00 N ATOM 386 CA PHE A 26 4.679 0.470 -8.518 1.00 0.00 C ATOM 387 C PHE A 26 5.497 0.871 -9.740 1.00 0.00 C ATOM 388 O PHE A 26 5.131 0.613 -10.870 1.00 0.00 O ATOM 389 CB PHE A 26 5.396 -0.651 -7.790 1.00 0.00 C ATOM 390 CG PHE A 26 4.813 -0.809 -6.405 1.00 0.00 C ATOM 391 CD1 PHE A 26 5.230 0.037 -5.367 1.00 0.00 C ATOM 392 CD2 PHE A 26 3.855 -1.798 -6.161 1.00 0.00 C ATOM 393 CE1 PHE A 26 4.684 -0.109 -4.085 1.00 0.00 C ATOM 394 CE2 PHE A 26 3.310 -1.944 -4.880 1.00 0.00 C ATOM 395 CZ PHE A 26 3.724 -1.100 -3.841 1.00 0.00 C ATOM 0 H PHE A 26 3.298 -0.858 -9.455 1.00 0.00 H new ATOM 0 HA PHE A 26 4.570 1.328 -7.855 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.295 -1.583 -8.347 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.462 -0.433 -7.724 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.971 0.800 -5.556 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.536 -2.449 -6.961 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.003 0.542 -3.285 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.570 -2.708 -4.692 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.303 -1.213 -2.853 1.00 0.00 H new ATOM 405 N ALA A 27 6.604 1.503 -9.503 1.00 0.00 N ATOM 406 CA ALA A 27 7.485 1.946 -10.623 1.00 0.00 C ATOM 407 C ALA A 27 8.397 0.800 -11.065 1.00 0.00 C ATOM 408 O ALA A 27 9.112 0.908 -12.042 1.00 0.00 O ATOM 409 CB ALA A 27 8.340 3.126 -10.161 1.00 0.00 C ATOM 0 H ALA A 27 6.946 1.737 -8.571 1.00 0.00 H new ATOM 0 HA ALA A 27 6.862 2.248 -11.465 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.984 3.451 -10.978 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.692 3.949 -9.861 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.954 2.821 -9.314 1.00 0.00 H new ATOM 415 N ASN A 28 8.393 -0.293 -10.352 1.00 0.00 N ATOM 416 CA ASN A 28 9.278 -1.432 -10.737 1.00 0.00 C ATOM 417 C ASN A 28 8.484 -2.450 -11.549 1.00 0.00 C ATOM 418 O ASN A 28 8.562 -3.640 -11.315 1.00 0.00 O ATOM 419 CB ASN A 28 9.857 -2.113 -9.486 1.00 0.00 C ATOM 420 CG ASN A 28 9.024 -1.772 -8.248 1.00 0.00 C ATOM 421 OD1 ASN A 28 8.040 -2.425 -7.962 1.00 0.00 O ATOM 422 ND2 ASN A 28 9.383 -0.768 -7.495 1.00 0.00 N ATOM 0 H ASN A 28 7.819 -0.448 -9.523 1.00 0.00 H new ATOM 0 HA ASN A 28 10.100 -1.044 -11.339 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.877 -3.193 -9.631 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.888 -1.793 -9.336 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.837 -0.531 -6.666 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.209 -0.220 -7.735 1.00 0.00 H new ATOM 429 N GLY A 29 7.725 -1.997 -12.509 1.00 0.00 N ATOM 430 CA GLY A 29 6.933 -2.948 -13.336 1.00 0.00 C ATOM 431 C GLY A 29 6.281 -3.988 -12.426 1.00 0.00 C ATOM 432 O GLY A 29 5.998 -5.096 -12.837 1.00 0.00 O ATOM 0 H GLY A 29 7.620 -1.013 -12.755 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.169 -2.410 -13.898 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.578 -3.439 -14.064 1.00 0.00 H new ATOM 436 N SER A 30 6.039 -3.638 -11.193 1.00 0.00 N ATOM 437 CA SER A 30 5.404 -4.602 -10.257 1.00 0.00 C ATOM 438 C SER A 30 4.057 -4.045 -9.813 1.00 0.00 C ATOM 439 O SER A 30 3.887 -3.614 -8.691 1.00 0.00 O ATOM 440 CB SER A 30 6.297 -4.797 -9.037 1.00 0.00 C ATOM 441 OG SER A 30 5.887 -5.963 -8.336 1.00 0.00 O ATOM 0 H SER A 30 6.255 -2.724 -10.795 1.00 0.00 H new ATOM 0 HA SER A 30 5.264 -5.561 -10.757 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.338 -4.892 -9.346 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.236 -3.926 -8.384 1.00 0.00 H new ATOM 0 HG SER A 30 6.460 -6.092 -7.552 1.00 0.00 H new ATOM 447 N THR A 31 3.102 -4.047 -10.690 1.00 0.00 N ATOM 448 CA THR A 31 1.761 -3.512 -10.333 1.00 0.00 C ATOM 449 C THR A 31 1.003 -4.565 -9.523 1.00 0.00 C ATOM 450 O THR A 31 1.244 -5.748 -9.643 1.00 0.00 O ATOM 451 CB THR A 31 0.983 -3.199 -11.612 1.00 0.00 C ATOM 452 OG1 THR A 31 -0.287 -2.660 -11.271 1.00 0.00 O ATOM 453 CG2 THR A 31 0.796 -4.484 -12.422 1.00 0.00 C ATOM 0 H THR A 31 3.189 -4.397 -11.644 1.00 0.00 H new ATOM 0 HA THR A 31 1.872 -2.602 -9.743 1.00 0.00 H new ATOM 0 HB THR A 31 1.536 -2.474 -12.209 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.787 -2.457 -12.089 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.242 -4.262 -13.334 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.771 -4.896 -12.682 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.242 -5.211 -11.828 1.00 0.00 H new ATOM 461 N GLN A 32 0.088 -4.142 -8.699 1.00 0.00 N ATOM 462 CA GLN A 32 -0.688 -5.112 -7.879 1.00 0.00 C ATOM 463 C GLN A 32 -2.094 -4.554 -7.665 1.00 0.00 C ATOM 464 O GLN A 32 -2.520 -3.659 -8.367 1.00 0.00 O ATOM 465 CB GLN A 32 0.009 -5.307 -6.530 1.00 0.00 C ATOM 466 CG GLN A 32 0.638 -6.701 -6.478 1.00 0.00 C ATOM 467 CD GLN A 32 2.112 -6.614 -6.879 1.00 0.00 C ATOM 468 OE1 GLN A 32 2.771 -5.630 -6.610 1.00 0.00 O ATOM 469 NE2 GLN A 32 2.663 -7.612 -7.517 1.00 0.00 N ATOM 0 H GLN A 32 -0.157 -3.162 -8.557 1.00 0.00 H new ATOM 0 HA GLN A 32 -0.749 -6.074 -8.388 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.776 -4.545 -6.391 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.708 -5.189 -5.718 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.548 -7.115 -5.474 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.107 -7.376 -7.149 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.111 -8.439 -7.744 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.645 -7.564 -7.788 1.00 0.00 H new ATOM 478 N THR A 33 -2.826 -5.063 -6.711 1.00 0.00 N ATOM 479 CA THR A 33 -4.196 -4.527 -6.488 1.00 0.00 C ATOM 480 C THR A 33 -4.698 -4.885 -5.085 1.00 0.00 C ATOM 481 O THR A 33 -4.095 -5.662 -4.373 1.00 0.00 O ATOM 482 CB THR A 33 -5.152 -5.114 -7.527 1.00 0.00 C ATOM 483 OG1 THR A 33 -6.451 -4.575 -7.331 1.00 0.00 O ATOM 484 CG2 THR A 33 -5.203 -6.635 -7.372 1.00 0.00 C ATOM 0 H THR A 33 -2.539 -5.816 -6.085 1.00 0.00 H new ATOM 0 HA THR A 33 -4.160 -3.442 -6.584 1.00 0.00 H new ATOM 0 HB THR A 33 -4.800 -4.863 -8.528 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.064 -4.949 -7.997 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.884 -7.054 -8.113 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.206 -7.050 -7.521 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.555 -6.887 -6.372 1.00 0.00 H new ATOM 492 N ALA A 34 -5.815 -4.327 -4.692 1.00 0.00 N ATOM 493 CA ALA A 34 -6.387 -4.631 -3.348 1.00 0.00 C ATOM 494 C ALA A 34 -7.892 -4.867 -3.509 1.00 0.00 C ATOM 495 O ALA A 34 -8.436 -4.678 -4.579 1.00 0.00 O ATOM 496 CB ALA A 34 -6.143 -3.450 -2.406 1.00 0.00 C ATOM 0 H ALA A 34 -6.358 -3.669 -5.250 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.913 -5.517 -2.927 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.562 -3.675 -1.425 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.071 -3.275 -2.312 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.622 -2.558 -2.809 1.00 0.00 H new ATOM 502 N GLU A 35 -8.582 -5.289 -2.481 1.00 0.00 N ATOM 503 CA GLU A 35 -10.043 -5.531 -2.653 1.00 0.00 C ATOM 504 C GLU A 35 -10.785 -5.517 -1.310 1.00 0.00 C ATOM 505 O GLU A 35 -10.439 -6.216 -0.380 1.00 0.00 O ATOM 506 CB GLU A 35 -10.253 -6.892 -3.320 1.00 0.00 C ATOM 507 CG GLU A 35 -9.351 -7.939 -2.661 1.00 0.00 C ATOM 508 CD GLU A 35 -10.060 -8.535 -1.444 1.00 0.00 C ATOM 509 OE1 GLU A 35 -11.272 -8.419 -1.375 1.00 0.00 O ATOM 510 OE2 GLU A 35 -9.380 -9.098 -0.601 1.00 0.00 O ATOM 0 H GLU A 35 -8.207 -5.473 -1.550 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.444 -4.729 -3.273 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.297 -7.192 -3.233 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.028 -6.824 -4.384 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.109 -8.726 -3.375 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.409 -7.483 -2.358 1.00 0.00 H new ATOM 517 N PHE A 36 -11.833 -4.743 -1.237 1.00 0.00 N ATOM 518 CA PHE A 36 -12.661 -4.675 -0.011 1.00 0.00 C ATOM 519 C PHE A 36 -14.097 -4.335 -0.438 1.00 0.00 C ATOM 520 O PHE A 36 -14.418 -3.197 -0.705 1.00 0.00 O ATOM 521 CB PHE A 36 -12.158 -3.605 0.961 1.00 0.00 C ATOM 522 CG PHE A 36 -10.825 -2.991 0.550 1.00 0.00 C ATOM 523 CD1 PHE A 36 -10.622 -2.500 -0.746 1.00 0.00 C ATOM 524 CD2 PHE A 36 -9.797 -2.883 1.500 1.00 0.00 C ATOM 525 CE1 PHE A 36 -9.399 -1.910 -1.092 1.00 0.00 C ATOM 526 CE2 PHE A 36 -8.573 -2.289 1.153 1.00 0.00 C ATOM 527 CZ PHE A 36 -8.375 -1.804 -0.139 1.00 0.00 C ATOM 0 H PHE A 36 -12.153 -4.143 -1.997 1.00 0.00 H new ATOM 0 HA PHE A 36 -12.609 -5.634 0.505 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -12.905 -2.815 1.038 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -12.056 -4.045 1.953 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -11.410 -2.576 -1.480 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.948 -3.258 2.501 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.245 -1.536 -2.093 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.785 -2.208 1.887 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.434 -1.347 -0.406 1.00 0.00 H new ATOM 537 N LYS A 37 -14.957 -5.316 -0.535 1.00 0.00 N ATOM 538 CA LYS A 37 -16.361 -5.040 -0.978 1.00 0.00 C ATOM 539 C LYS A 37 -17.283 -4.898 0.233 1.00 0.00 C ATOM 540 O LYS A 37 -16.869 -5.045 1.365 1.00 0.00 O ATOM 541 CB LYS A 37 -16.885 -6.186 -1.858 1.00 0.00 C ATOM 542 CG LYS A 37 -15.757 -7.154 -2.234 1.00 0.00 C ATOM 543 CD LYS A 37 -15.708 -8.300 -1.219 1.00 0.00 C ATOM 544 CE LYS A 37 -14.633 -9.306 -1.632 1.00 0.00 C ATOM 545 NZ LYS A 37 -15.186 -10.686 -1.534 1.00 0.00 N ATOM 0 H LYS A 37 -14.751 -6.293 -0.328 1.00 0.00 H new ATOM 0 HA LYS A 37 -16.354 -4.112 -1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -17.670 -6.726 -1.328 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.334 -5.777 -2.763 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.921 -7.549 -3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.802 -6.628 -2.251 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -15.492 -7.909 -0.225 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.679 -8.792 -1.164 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.304 -9.105 -2.651 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.759 -9.206 -0.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.457 -11.373 -1.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.480 -10.873 -0.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.008 -10.776 -2.165 1.00 0.00 H new ATOM 559 N GLY A 38 -18.541 -4.617 -0.002 1.00 0.00 N ATOM 560 CA GLY A 38 -19.495 -4.475 1.141 1.00 0.00 C ATOM 561 C GLY A 38 -19.786 -2.994 1.397 1.00 0.00 C ATOM 562 O GLY A 38 -20.484 -2.355 0.639 1.00 0.00 O ATOM 0 H GLY A 38 -18.946 -4.481 -0.928 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -20.422 -5.004 0.920 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -19.074 -4.932 2.036 1.00 0.00 H new ATOM 566 N THR A 39 -19.263 -2.441 2.462 1.00 0.00 N ATOM 567 CA THR A 39 -19.519 -0.999 2.754 1.00 0.00 C ATOM 568 C THR A 39 -19.138 -0.175 1.524 1.00 0.00 C ATOM 569 O THR A 39 -18.838 -0.720 0.481 1.00 0.00 O ATOM 570 CB THR A 39 -18.682 -0.556 3.957 1.00 0.00 C ATOM 571 OG1 THR A 39 -18.443 -1.672 4.802 1.00 0.00 O ATOM 572 CG2 THR A 39 -19.439 0.522 4.735 1.00 0.00 C ATOM 0 H THR A 39 -18.672 -2.924 3.139 1.00 0.00 H new ATOM 0 HA THR A 39 -20.573 -0.849 2.988 1.00 0.00 H new ATOM 0 HB THR A 39 -17.731 -0.152 3.611 1.00 0.00 H new ATOM 0 HG1 THR A 39 -18.670 -1.437 5.726 1.00 0.00 H new ATOM 0 HG21 THR A 39 -18.844 0.838 5.592 1.00 0.00 H new ATOM 0 HG22 THR A 39 -19.623 1.378 4.086 1.00 0.00 H new ATOM 0 HG23 THR A 39 -20.390 0.119 5.083 1.00 0.00 H new ATOM 580 N PHE A 40 -19.148 1.128 1.616 1.00 0.00 N ATOM 581 CA PHE A 40 -18.784 1.927 0.415 1.00 0.00 C ATOM 582 C PHE A 40 -17.448 2.645 0.604 1.00 0.00 C ATOM 583 O PHE A 40 -16.424 2.192 0.132 1.00 0.00 O ATOM 584 CB PHE A 40 -19.870 2.952 0.088 1.00 0.00 C ATOM 585 CG PHE A 40 -19.575 3.531 -1.276 1.00 0.00 C ATOM 586 CD1 PHE A 40 -18.505 4.419 -1.445 1.00 0.00 C ATOM 587 CD2 PHE A 40 -20.351 3.157 -2.380 1.00 0.00 C ATOM 588 CE1 PHE A 40 -18.212 4.934 -2.710 1.00 0.00 C ATOM 589 CE2 PHE A 40 -20.054 3.671 -3.649 1.00 0.00 C ATOM 590 CZ PHE A 40 -18.984 4.558 -3.813 1.00 0.00 C ATOM 0 H PHE A 40 -19.387 1.662 2.451 1.00 0.00 H new ATOM 0 HA PHE A 40 -18.690 1.228 -0.416 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -20.853 2.481 0.097 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -19.888 3.741 0.840 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -17.905 4.706 -0.595 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -21.177 2.473 -2.253 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -17.389 5.622 -2.836 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -20.651 3.383 -4.501 1.00 0.00 H new ATOM 0 HZ PHE A 40 -18.755 4.952 -4.792 1.00 0.00 H new ATOM 600 N GLU A 41 -17.442 3.777 1.249 1.00 0.00 N ATOM 601 CA GLU A 41 -16.165 4.519 1.402 1.00 0.00 C ATOM 602 C GLU A 41 -15.418 4.058 2.648 1.00 0.00 C ATOM 603 O GLU A 41 -14.236 4.299 2.789 1.00 0.00 O ATOM 604 CB GLU A 41 -16.450 6.014 1.459 1.00 0.00 C ATOM 605 CG GLU A 41 -15.133 6.778 1.606 1.00 0.00 C ATOM 606 CD GLU A 41 -15.422 8.241 1.941 1.00 0.00 C ATOM 607 OE1 GLU A 41 -16.035 8.484 2.967 1.00 0.00 O ATOM 608 OE2 GLU A 41 -15.024 9.095 1.165 1.00 0.00 O ATOM 0 H GLU A 41 -18.259 4.216 1.673 1.00 0.00 H new ATOM 0 HA GLU A 41 -15.528 4.314 0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -16.968 6.331 0.554 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -17.109 6.238 2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -14.526 6.328 2.391 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -14.558 6.713 0.682 1.00 0.00 H new ATOM 615 N LYS A 42 -16.065 3.367 3.542 1.00 0.00 N ATOM 616 CA LYS A 42 -15.320 2.880 4.722 1.00 0.00 C ATOM 617 C LYS A 42 -14.131 2.080 4.177 1.00 0.00 C ATOM 618 O LYS A 42 -13.112 1.924 4.819 1.00 0.00 O ATOM 619 CB LYS A 42 -16.238 2.013 5.609 1.00 0.00 C ATOM 620 CG LYS A 42 -15.972 0.516 5.388 1.00 0.00 C ATOM 621 CD LYS A 42 -14.761 0.089 6.219 1.00 0.00 C ATOM 622 CE LYS A 42 -15.163 -1.039 7.172 1.00 0.00 C ATOM 623 NZ LYS A 42 -15.276 -2.316 6.413 1.00 0.00 N ATOM 0 H LYS A 42 -17.055 3.125 3.506 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.969 3.699 5.350 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -16.076 2.263 6.658 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -17.281 2.237 5.385 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.848 -0.067 5.674 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.790 0.319 4.331 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.957 -0.245 5.563 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.379 0.938 6.785 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.423 -1.140 7.966 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.113 -0.803 7.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.549 -3.082 7.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.998 -2.216 5.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.360 -2.542 5.976 1.00 0.00 H new ATOM 637 N ALA A 43 -14.276 1.591 2.968 1.00 0.00 N ATOM 638 CA ALA A 43 -13.195 0.813 2.311 1.00 0.00 C ATOM 639 C ALA A 43 -12.238 1.774 1.606 1.00 0.00 C ATOM 640 O ALA A 43 -11.064 1.512 1.490 1.00 0.00 O ATOM 641 CB ALA A 43 -13.817 -0.123 1.280 1.00 0.00 C ATOM 0 H ALA A 43 -15.118 1.705 2.404 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.648 0.235 3.056 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -13.032 -0.699 0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -14.510 -0.802 1.776 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.355 0.463 0.534 1.00 0.00 H new ATOM 647 N THR A 44 -12.733 2.884 1.131 1.00 0.00 N ATOM 648 CA THR A 44 -11.840 3.863 0.441 1.00 0.00 C ATOM 649 C THR A 44 -10.720 4.282 1.402 1.00 0.00 C ATOM 650 O THR A 44 -9.579 4.432 1.010 1.00 0.00 O ATOM 651 CB THR A 44 -12.660 5.086 0.020 1.00 0.00 C ATOM 652 OG1 THR A 44 -13.375 4.785 -1.171 1.00 0.00 O ATOM 653 CG2 THR A 44 -11.735 6.284 -0.227 1.00 0.00 C ATOM 0 H THR A 44 -13.714 3.157 1.190 1.00 0.00 H new ATOM 0 HA THR A 44 -11.400 3.409 -0.447 1.00 0.00 H new ATOM 0 HB THR A 44 -13.360 5.338 0.817 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.902 5.565 -1.442 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.330 7.147 -0.526 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.190 6.518 0.688 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.027 6.040 -1.019 1.00 0.00 H new ATOM 661 N SER A 45 -11.030 4.461 2.659 1.00 0.00 N ATOM 662 CA SER A 45 -9.975 4.855 3.637 1.00 0.00 C ATOM 663 C SER A 45 -9.172 3.613 4.018 1.00 0.00 C ATOM 664 O SER A 45 -7.963 3.602 3.934 1.00 0.00 O ATOM 665 CB SER A 45 -10.622 5.457 4.886 1.00 0.00 C ATOM 666 OG SER A 45 -10.274 6.833 4.976 1.00 0.00 O ATOM 0 H SER A 45 -11.966 4.352 3.050 1.00 0.00 H new ATOM 0 HA SER A 45 -9.317 5.600 3.190 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.705 5.346 4.838 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.286 4.926 5.776 1.00 0.00 H new ATOM 0 HG SER A 45 -10.688 7.224 5.774 1.00 0.00 H new ATOM 672 N GLU A 46 -9.832 2.557 4.413 1.00 0.00 N ATOM 673 CA GLU A 46 -9.085 1.318 4.764 1.00 0.00 C ATOM 674 C GLU A 46 -8.213 0.936 3.569 1.00 0.00 C ATOM 675 O GLU A 46 -7.225 0.241 3.697 1.00 0.00 O ATOM 676 CB GLU A 46 -10.065 0.192 5.070 1.00 0.00 C ATOM 677 CG GLU A 46 -9.312 -1.137 5.161 1.00 0.00 C ATOM 678 CD GLU A 46 -8.489 -1.174 6.450 1.00 0.00 C ATOM 679 OE1 GLU A 46 -8.141 -0.110 6.936 1.00 0.00 O ATOM 680 OE2 GLU A 46 -8.219 -2.263 6.928 1.00 0.00 O ATOM 0 H GLU A 46 -10.846 2.500 4.507 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.466 1.487 5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.583 0.393 6.008 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.826 0.137 4.291 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.017 -1.968 5.144 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.658 -1.256 4.297 1.00 0.00 H new ATOM 687 N ALA A 47 -8.569 1.416 2.410 1.00 0.00 N ATOM 688 CA ALA A 47 -7.771 1.130 1.191 1.00 0.00 C ATOM 689 C ALA A 47 -6.596 2.097 1.171 1.00 0.00 C ATOM 690 O ALA A 47 -5.470 1.732 0.899 1.00 0.00 O ATOM 691 CB ALA A 47 -8.638 1.346 -0.052 1.00 0.00 C ATOM 0 H ALA A 47 -9.390 2.002 2.257 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.418 0.099 1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.051 1.136 -0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.498 0.677 -0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -8.983 2.379 -0.080 1.00 0.00 H new ATOM 697 N TYR A 48 -6.858 3.334 1.481 1.00 0.00 N ATOM 698 CA TYR A 48 -5.777 4.339 1.509 1.00 0.00 C ATOM 699 C TYR A 48 -4.708 3.866 2.488 1.00 0.00 C ATOM 700 O TYR A 48 -3.534 4.138 2.334 1.00 0.00 O ATOM 701 CB TYR A 48 -6.362 5.678 1.951 1.00 0.00 C ATOM 702 CG TYR A 48 -5.747 6.785 1.133 1.00 0.00 C ATOM 703 CD1 TYR A 48 -5.839 6.749 -0.264 1.00 0.00 C ATOM 704 CD2 TYR A 48 -5.089 7.845 1.765 1.00 0.00 C ATOM 705 CE1 TYR A 48 -5.272 7.775 -1.028 1.00 0.00 C ATOM 706 CE2 TYR A 48 -4.522 8.871 1.000 1.00 0.00 C ATOM 707 CZ TYR A 48 -4.613 8.836 -0.396 1.00 0.00 C ATOM 708 OH TYR A 48 -4.053 9.848 -1.148 1.00 0.00 O ATOM 0 H TYR A 48 -7.785 3.689 1.717 1.00 0.00 H new ATOM 0 HA TYR A 48 -5.329 4.462 0.523 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.445 5.675 1.824 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.166 5.841 3.011 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -6.347 5.930 -0.751 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.018 7.872 2.842 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.343 7.748 -2.105 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.014 9.690 1.487 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.636 10.505 -0.553 1.00 0.00 H new ATOM 718 N ALA A 49 -5.115 3.128 3.479 1.00 0.00 N ATOM 719 CA ALA A 49 -4.146 2.585 4.466 1.00 0.00 C ATOM 720 C ALA A 49 -3.509 1.336 3.864 1.00 0.00 C ATOM 721 O ALA A 49 -2.360 1.034 4.100 1.00 0.00 O ATOM 722 CB ALA A 49 -4.871 2.218 5.763 1.00 0.00 C ATOM 0 H ALA A 49 -6.088 2.875 3.649 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.384 3.330 4.693 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.154 1.821 6.481 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.346 3.107 6.178 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.631 1.465 5.555 1.00 0.00 H new ATOM 728 N TYR A 50 -4.257 0.615 3.073 1.00 0.00 N ATOM 729 CA TYR A 50 -3.708 -0.608 2.430 1.00 0.00 C ATOM 730 C TYR A 50 -2.430 -0.225 1.681 1.00 0.00 C ATOM 731 O TYR A 50 -1.430 -0.914 1.730 1.00 0.00 O ATOM 732 CB TYR A 50 -4.755 -1.150 1.454 1.00 0.00 C ATOM 733 CG TYR A 50 -4.390 -2.544 1.010 1.00 0.00 C ATOM 734 CD1 TYR A 50 -3.235 -2.762 0.252 1.00 0.00 C ATOM 735 CD2 TYR A 50 -5.221 -3.617 1.347 1.00 0.00 C ATOM 736 CE1 TYR A 50 -2.911 -4.056 -0.169 1.00 0.00 C ATOM 737 CE2 TYR A 50 -4.897 -4.909 0.928 1.00 0.00 C ATOM 738 CZ TYR A 50 -3.742 -5.131 0.168 1.00 0.00 C ATOM 739 OH TYR A 50 -3.423 -6.408 -0.247 1.00 0.00 O ATOM 0 H TYR A 50 -5.229 0.824 2.845 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.476 -1.374 3.170 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.735 -1.159 1.931 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -4.828 -0.493 0.587 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.594 -1.932 -0.008 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.113 -3.446 1.931 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.019 -4.226 -0.754 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.538 -5.738 1.190 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.104 -7.036 0.073 1.00 0.00 H new ATOM 749 N ALA A 51 -2.464 0.886 0.996 1.00 0.00 N ATOM 750 CA ALA A 51 -1.263 1.353 0.240 1.00 0.00 C ATOM 751 C ALA A 51 -0.254 1.985 1.202 1.00 0.00 C ATOM 752 O ALA A 51 0.939 1.943 0.977 1.00 0.00 O ATOM 753 CB ALA A 51 -1.699 2.393 -0.790 1.00 0.00 C ATOM 0 H ALA A 51 -3.278 1.496 0.926 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.796 0.504 -0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.829 2.740 -1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.416 1.945 -1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.164 3.237 -0.281 1.00 0.00 H new ATOM 759 N ASP A 52 -0.718 2.575 2.269 1.00 0.00 N ATOM 760 CA ASP A 52 0.225 3.211 3.233 1.00 0.00 C ATOM 761 C ASP A 52 0.871 2.133 4.106 1.00 0.00 C ATOM 762 O ASP A 52 1.838 2.380 4.801 1.00 0.00 O ATOM 763 CB ASP A 52 -0.541 4.191 4.124 1.00 0.00 C ATOM 764 CG ASP A 52 0.450 4.989 4.973 1.00 0.00 C ATOM 765 OD1 ASP A 52 1.345 5.588 4.398 1.00 0.00 O ATOM 766 OD2 ASP A 52 0.298 4.988 6.183 1.00 0.00 O ATOM 0 H ASP A 52 -1.705 2.644 2.515 1.00 0.00 H new ATOM 0 HA ASP A 52 0.999 3.745 2.682 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.138 4.867 3.511 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.234 3.649 4.768 1.00 0.00 H new ATOM 771 N THR A 53 0.350 0.938 4.076 1.00 0.00 N ATOM 772 CA THR A 53 0.937 -0.152 4.901 1.00 0.00 C ATOM 773 C THR A 53 2.154 -0.735 4.178 1.00 0.00 C ATOM 774 O THR A 53 2.859 -1.569 4.710 1.00 0.00 O ATOM 775 CB THR A 53 -0.107 -1.250 5.127 1.00 0.00 C ATOM 776 OG1 THR A 53 -1.043 -1.238 4.058 1.00 0.00 O ATOM 777 CG2 THR A 53 -0.836 -1.004 6.450 1.00 0.00 C ATOM 0 H THR A 53 -0.458 0.670 3.515 1.00 0.00 H new ATOM 0 HA THR A 53 1.246 0.249 5.867 1.00 0.00 H new ATOM 0 HB THR A 53 0.389 -2.220 5.166 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.563 -1.236 3.203 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.578 -1.787 6.608 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.117 -1.015 7.269 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.333 -0.034 6.417 1.00 0.00 H new ATOM 785 N LEU A 54 2.405 -0.306 2.970 1.00 0.00 N ATOM 786 CA LEU A 54 3.578 -0.840 2.222 1.00 0.00 C ATOM 787 C LEU A 54 4.841 -0.094 2.653 1.00 0.00 C ATOM 788 O LEU A 54 5.803 -0.693 3.085 1.00 0.00 O ATOM 789 CB LEU A 54 3.356 -0.662 0.719 1.00 0.00 C ATOM 790 CG LEU A 54 3.290 -2.035 0.052 1.00 0.00 C ATOM 791 CD1 LEU A 54 2.024 -2.131 -0.800 1.00 0.00 C ATOM 792 CD2 LEU A 54 4.521 -2.226 -0.839 1.00 0.00 C ATOM 0 H LEU A 54 1.850 0.389 2.471 1.00 0.00 H new ATOM 0 HA LEU A 54 3.695 -1.901 2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.432 -0.113 0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.166 -0.074 0.287 1.00 0.00 H new ATOM 0 HG LEU A 54 3.269 -2.810 0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.979 -3.111 -1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.148 -1.994 -0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.042 -1.357 -1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.476 -3.205 -1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.540 -1.450 -1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.424 -2.159 -0.232 1.00 0.00 H new ATOM 804 N LYS A 55 4.829 1.211 2.552 1.00 0.00 N ATOM 805 CA LYS A 55 6.015 2.027 2.964 1.00 0.00 C ATOM 806 C LYS A 55 7.321 1.279 2.671 1.00 0.00 C ATOM 807 O LYS A 55 8.300 1.428 3.375 1.00 0.00 O ATOM 808 CB LYS A 55 5.926 2.309 4.460 1.00 0.00 C ATOM 809 CG LYS A 55 5.440 1.054 5.182 1.00 0.00 C ATOM 810 CD LYS A 55 5.334 1.336 6.677 1.00 0.00 C ATOM 811 CE LYS A 55 6.508 0.679 7.405 1.00 0.00 C ATOM 812 NZ LYS A 55 6.001 -0.411 8.283 1.00 0.00 N ATOM 0 H LYS A 55 4.041 1.753 2.198 1.00 0.00 H new ATOM 0 HA LYS A 55 6.014 2.959 2.398 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.901 2.609 4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.242 3.137 4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.470 0.748 4.789 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.130 0.229 5.005 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.337 2.411 6.856 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.391 0.951 7.064 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.219 0.278 6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.042 1.420 7.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.799 -0.858 8.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.339 -0.015 8.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.510 -1.123 7.705 1.00 0.00 H new ATOM 826 N LYS A 56 7.350 0.481 1.640 1.00 0.00 N ATOM 827 CA LYS A 56 8.596 -0.267 1.304 1.00 0.00 C ATOM 828 C LYS A 56 9.549 0.634 0.511 1.00 0.00 C ATOM 829 O LYS A 56 10.233 0.182 -0.386 1.00 0.00 O ATOM 830 CB LYS A 56 8.243 -1.498 0.467 1.00 0.00 C ATOM 831 CG LYS A 56 9.150 -2.662 0.868 1.00 0.00 C ATOM 832 CD LYS A 56 8.294 -3.851 1.307 1.00 0.00 C ATOM 833 CE LYS A 56 9.131 -5.129 1.255 1.00 0.00 C ATOM 834 NZ LYS A 56 8.354 -6.202 0.573 1.00 0.00 N ATOM 0 H LYS A 56 6.563 0.314 1.013 1.00 0.00 H new ATOM 0 HA LYS A 56 9.084 -0.580 2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.198 -1.768 0.620 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.364 -1.277 -0.594 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.784 -2.948 0.029 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.812 -2.358 1.679 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.920 -3.690 2.318 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.424 -3.946 0.657 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.063 -4.945 0.721 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.398 -5.443 2.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.922 -7.072 0.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.476 -6.383 1.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.121 -5.900 -0.395 1.00 0.00 H new ATOM 848 N ASP A 57 9.593 1.902 0.821 1.00 0.00 N ATOM 849 CA ASP A 57 10.492 2.829 0.075 1.00 0.00 C ATOM 850 C ASP A 57 9.836 3.187 -1.257 1.00 0.00 C ATOM 851 O ASP A 57 10.491 3.339 -2.267 1.00 0.00 O ATOM 852 CB ASP A 57 11.843 2.154 -0.181 1.00 0.00 C ATOM 853 CG ASP A 57 12.900 3.221 -0.466 1.00 0.00 C ATOM 854 OD1 ASP A 57 12.520 4.353 -0.713 1.00 0.00 O ATOM 855 OD2 ASP A 57 14.074 2.887 -0.433 1.00 0.00 O ATOM 0 H ASP A 57 9.043 2.337 1.562 1.00 0.00 H new ATOM 0 HA ASP A 57 10.656 3.732 0.663 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.135 1.560 0.685 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.765 1.469 -1.025 1.00 0.00 H new ATOM 860 N ASN A 58 8.539 3.314 -1.259 1.00 0.00 N ATOM 861 CA ASN A 58 7.819 3.653 -2.516 1.00 0.00 C ATOM 862 C ASN A 58 7.834 5.171 -2.722 1.00 0.00 C ATOM 863 O ASN A 58 7.769 5.653 -3.835 1.00 0.00 O ATOM 864 CB ASN A 58 6.376 3.154 -2.433 1.00 0.00 C ATOM 865 CG ASN A 58 6.271 2.015 -1.411 1.00 0.00 C ATOM 866 OD1 ASN A 58 7.055 1.087 -1.443 1.00 0.00 O ATOM 867 ND2 ASN A 58 5.334 2.041 -0.502 1.00 0.00 N ATOM 0 H ASN A 58 7.944 3.197 -0.439 1.00 0.00 H new ATOM 0 HA ASN A 58 8.315 3.172 -3.359 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.716 3.972 -2.146 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.046 2.806 -3.412 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.262 1.284 0.178 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.674 2.818 -0.472 1.00 0.00 H new ATOM 874 N GLY A 59 7.927 5.927 -1.663 1.00 0.00 N ATOM 875 CA GLY A 59 7.954 7.411 -1.813 1.00 0.00 C ATOM 876 C GLY A 59 6.527 7.946 -1.892 1.00 0.00 C ATOM 877 O GLY A 59 6.284 9.025 -2.394 1.00 0.00 O ATOM 0 H GLY A 59 7.985 5.584 -0.704 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.476 7.862 -0.969 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.506 7.685 -2.712 1.00 0.00 H new ATOM 881 N GLU A 60 5.587 7.196 -1.401 1.00 0.00 N ATOM 882 CA GLU A 60 4.170 7.639 -1.439 1.00 0.00 C ATOM 883 C GLU A 60 3.613 7.434 -2.843 1.00 0.00 C ATOM 884 O GLU A 60 4.312 7.034 -3.751 1.00 0.00 O ATOM 885 CB GLU A 60 4.080 9.114 -1.052 1.00 0.00 C ATOM 886 CG GLU A 60 4.992 9.373 0.148 1.00 0.00 C ATOM 887 CD GLU A 60 4.183 10.022 1.272 1.00 0.00 C ATOM 888 OE1 GLU A 60 3.520 11.011 1.004 1.00 0.00 O ATOM 889 OE2 GLU A 60 4.238 9.518 2.382 1.00 0.00 O ATOM 0 H GLU A 60 5.741 6.284 -0.970 1.00 0.00 H new ATOM 0 HA GLU A 60 3.586 7.051 -0.731 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.377 9.742 -1.892 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.051 9.376 -0.806 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.430 8.437 0.494 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.817 10.023 -0.142 1.00 0.00 H new ATOM 896 N TYR A 61 2.351 7.690 -3.024 1.00 0.00 N ATOM 897 CA TYR A 61 1.739 7.492 -4.366 1.00 0.00 C ATOM 898 C TYR A 61 0.640 8.524 -4.612 1.00 0.00 C ATOM 899 O TYR A 61 0.030 9.031 -3.692 1.00 0.00 O ATOM 900 CB TYR A 61 1.105 6.106 -4.423 1.00 0.00 C ATOM 901 CG TYR A 61 0.269 5.895 -3.181 1.00 0.00 C ATOM 902 CD1 TYR A 61 -1.077 6.289 -3.152 1.00 0.00 C ATOM 903 CD2 TYR A 61 0.848 5.312 -2.052 1.00 0.00 C ATOM 904 CE1 TYR A 61 -1.834 6.098 -1.991 1.00 0.00 C ATOM 905 CE2 TYR A 61 0.095 5.118 -0.898 1.00 0.00 C ATOM 906 CZ TYR A 61 -1.250 5.511 -0.862 1.00 0.00 C ATOM 907 OH TYR A 61 -1.997 5.327 0.282 1.00 0.00 O ATOM 0 H TYR A 61 1.715 8.028 -2.301 1.00 0.00 H new ATOM 0 HA TYR A 61 2.517 7.600 -5.122 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.485 6.012 -5.314 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.878 5.341 -4.491 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.528 6.739 -4.024 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.885 5.010 -2.075 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.870 6.404 -1.966 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.548 4.664 -0.029 1.00 0.00 H new ATOM 0 HH TYR A 61 -1.484 4.794 0.925 1.00 0.00 H new ATOM 917 N THR A 62 0.360 8.805 -5.856 1.00 0.00 N ATOM 918 CA THR A 62 -0.727 9.767 -6.180 1.00 0.00 C ATOM 919 C THR A 62 -2.023 8.966 -6.332 1.00 0.00 C ATOM 920 O THR A 62 -2.095 8.037 -7.110 1.00 0.00 O ATOM 921 CB THR A 62 -0.404 10.486 -7.494 1.00 0.00 C ATOM 922 OG1 THR A 62 0.895 10.109 -7.931 1.00 0.00 O ATOM 923 CG2 THR A 62 -0.454 12.000 -7.280 1.00 0.00 C ATOM 0 H THR A 62 0.840 8.407 -6.663 1.00 0.00 H new ATOM 0 HA THR A 62 -0.828 10.514 -5.392 1.00 0.00 H new ATOM 0 HB THR A 62 -1.138 10.207 -8.250 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.103 10.567 -8.772 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.224 12.508 -8.217 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.451 12.288 -6.947 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.277 12.285 -6.524 1.00 0.00 H new ATOM 931 N VAL A 63 -3.037 9.291 -5.581 1.00 0.00 N ATOM 932 CA VAL A 63 -4.306 8.513 -5.678 1.00 0.00 C ATOM 933 C VAL A 63 -5.105 8.952 -6.905 1.00 0.00 C ATOM 934 O VAL A 63 -5.422 10.113 -7.073 1.00 0.00 O ATOM 935 CB VAL A 63 -5.147 8.745 -4.420 1.00 0.00 C ATOM 936 CG1 VAL A 63 -5.754 10.148 -4.460 1.00 0.00 C ATOM 937 CG2 VAL A 63 -6.274 7.711 -4.361 1.00 0.00 C ATOM 0 H VAL A 63 -3.044 10.057 -4.907 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.062 7.455 -5.771 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.512 8.647 -3.540 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.352 10.311 -3.564 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.956 10.889 -4.503 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.387 10.245 -5.342 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.873 7.876 -3.465 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.906 7.811 -5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.847 6.709 -4.332 1.00 0.00 H new ATOM 947 N ASP A 64 -5.451 8.023 -7.754 1.00 0.00 N ATOM 948 CA ASP A 64 -6.243 8.368 -8.954 1.00 0.00 C ATOM 949 C ASP A 64 -7.717 8.233 -8.602 1.00 0.00 C ATOM 950 O ASP A 64 -8.091 7.507 -7.703 1.00 0.00 O ATOM 951 CB ASP A 64 -5.900 7.410 -10.095 1.00 0.00 C ATOM 952 CG ASP A 64 -5.209 8.184 -11.218 1.00 0.00 C ATOM 953 OD1 ASP A 64 -4.279 8.914 -10.922 1.00 0.00 O ATOM 954 OD2 ASP A 64 -5.620 8.032 -12.357 1.00 0.00 O ATOM 0 H ASP A 64 -5.214 7.035 -7.662 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.019 9.386 -9.272 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.249 6.614 -9.733 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.806 6.935 -10.470 1.00 0.00 H new ATOM 959 N VAL A 65 -8.553 8.934 -9.294 1.00 0.00 N ATOM 960 CA VAL A 65 -10.008 8.858 -8.991 1.00 0.00 C ATOM 961 C VAL A 65 -10.772 8.315 -10.201 1.00 0.00 C ATOM 962 O VAL A 65 -10.834 8.935 -11.245 1.00 0.00 O ATOM 963 CB VAL A 65 -10.529 10.255 -8.635 1.00 0.00 C ATOM 964 CG1 VAL A 65 -12.059 10.272 -8.697 1.00 0.00 C ATOM 965 CG2 VAL A 65 -10.076 10.623 -7.220 1.00 0.00 C ATOM 0 H VAL A 65 -8.299 9.559 -10.059 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.162 8.185 -8.147 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.131 10.977 -9.348 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -12.422 11.268 -8.443 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.385 10.013 -9.704 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -12.460 9.548 -7.988 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.446 11.616 -6.966 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.472 9.896 -6.511 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.987 10.619 -7.174 1.00 0.00 H new ATOM 975 N ALA A 66 -11.370 7.167 -10.055 1.00 0.00 N ATOM 976 CA ALA A 66 -12.154 6.572 -11.172 1.00 0.00 C ATOM 977 C ALA A 66 -13.334 5.813 -10.577 1.00 0.00 C ATOM 978 O ALA A 66 -13.548 5.834 -9.383 1.00 0.00 O ATOM 979 CB ALA A 66 -11.269 5.614 -11.972 1.00 0.00 C ATOM 0 H ALA A 66 -11.349 6.610 -9.201 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.512 7.355 -11.840 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.847 5.181 -12.788 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.418 6.159 -12.379 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.911 4.818 -11.319 1.00 0.00 H new ATOM 985 N ASP A 67 -14.107 5.151 -11.389 1.00 0.00 N ATOM 986 CA ASP A 67 -15.274 4.410 -10.844 1.00 0.00 C ATOM 987 C ASP A 67 -16.003 5.301 -9.834 1.00 0.00 C ATOM 988 O ASP A 67 -16.273 4.901 -8.720 1.00 0.00 O ATOM 989 CB ASP A 67 -14.797 3.138 -10.165 1.00 0.00 C ATOM 990 CG ASP A 67 -15.776 2.002 -10.462 1.00 0.00 C ATOM 991 OD1 ASP A 67 -16.945 2.290 -10.656 1.00 0.00 O ATOM 992 OD2 ASP A 67 -15.341 0.863 -10.491 1.00 0.00 O ATOM 0 H ASP A 67 -13.982 5.091 -12.400 1.00 0.00 H new ATOM 0 HA ASP A 67 -15.955 4.145 -11.652 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.801 2.875 -10.520 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.721 3.294 -9.089 1.00 0.00 H new ATOM 997 N LYS A 68 -16.297 6.515 -10.225 1.00 0.00 N ATOM 998 CA LYS A 68 -16.995 7.478 -9.315 1.00 0.00 C ATOM 999 C LYS A 68 -16.326 7.490 -7.938 1.00 0.00 C ATOM 1000 O LYS A 68 -16.881 7.037 -6.956 1.00 0.00 O ATOM 1001 CB LYS A 68 -18.484 7.122 -9.181 1.00 0.00 C ATOM 1002 CG LYS A 68 -18.656 5.697 -8.654 1.00 0.00 C ATOM 1003 CD LYS A 68 -20.128 5.455 -8.308 1.00 0.00 C ATOM 1004 CE LYS A 68 -20.226 4.484 -7.129 1.00 0.00 C ATOM 1005 NZ LYS A 68 -20.362 3.089 -7.639 1.00 0.00 N ATOM 0 H LYS A 68 -16.080 6.887 -11.150 1.00 0.00 H new ATOM 0 HA LYS A 68 -16.919 8.474 -9.751 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -18.971 7.826 -8.506 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -18.974 7.218 -10.150 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -18.325 4.978 -9.403 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.034 5.547 -7.771 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -20.613 6.398 -8.056 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -20.653 5.048 -9.172 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -19.339 4.568 -6.501 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -21.083 4.739 -6.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -20.428 2.431 -6.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -21.221 3.014 -8.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -19.531 2.848 -8.216 1.00 0.00 H new ATOM 1019 N GLY A 69 -15.139 8.026 -7.859 1.00 0.00 N ATOM 1020 CA GLY A 69 -14.429 8.089 -6.551 1.00 0.00 C ATOM 1021 C GLY A 69 -14.584 6.762 -5.806 1.00 0.00 C ATOM 1022 O GLY A 69 -14.976 6.726 -4.657 1.00 0.00 O ATOM 0 H GLY A 69 -14.629 8.424 -8.647 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.373 8.304 -6.712 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.832 8.903 -5.948 1.00 0.00 H new ATOM 1026 N TYR A 70 -14.271 5.670 -6.447 1.00 0.00 N ATOM 1027 CA TYR A 70 -14.388 4.357 -5.777 1.00 0.00 C ATOM 1028 C TYR A 70 -13.157 3.514 -6.101 1.00 0.00 C ATOM 1029 O TYR A 70 -12.524 2.960 -5.223 1.00 0.00 O ATOM 1030 CB TYR A 70 -15.641 3.647 -6.257 1.00 0.00 C ATOM 1031 CG TYR A 70 -16.207 2.809 -5.137 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -16.231 3.310 -3.827 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -16.703 1.527 -5.406 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -16.748 2.531 -2.791 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -17.218 0.747 -4.366 1.00 0.00 C ATOM 1036 CZ TYR A 70 -17.242 1.247 -3.059 1.00 0.00 C ATOM 1037 OH TYR A 70 -17.742 0.470 -2.037 1.00 0.00 O ATOM 0 H TYR A 70 -13.938 5.637 -7.411 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.454 4.502 -4.699 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -16.380 4.376 -6.589 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -15.408 3.016 -7.115 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -15.849 4.299 -3.620 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -16.688 1.142 -6.415 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -16.767 2.917 -1.783 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -17.598 -0.243 -4.572 1.00 0.00 H new ATOM 0 HH TYR A 70 -17.223 -0.359 -1.973 1.00 0.00 H new ATOM 1047 N THR A 71 -12.803 3.424 -7.351 1.00 0.00 N ATOM 1048 CA THR A 71 -11.601 2.633 -7.726 1.00 0.00 C ATOM 1049 C THR A 71 -10.368 3.516 -7.536 1.00 0.00 C ATOM 1050 O THR A 71 -10.142 4.454 -8.276 1.00 0.00 O ATOM 1051 CB THR A 71 -11.710 2.189 -9.184 1.00 0.00 C ATOM 1052 OG1 THR A 71 -12.830 1.323 -9.329 1.00 0.00 O ATOM 1053 CG2 THR A 71 -10.436 1.452 -9.596 1.00 0.00 C ATOM 0 H THR A 71 -13.294 3.864 -8.129 1.00 0.00 H new ATOM 0 HA THR A 71 -11.522 1.745 -7.099 1.00 0.00 H new ATOM 0 HB THR A 71 -11.839 3.064 -9.821 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.895 1.025 -10.260 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.518 1.137 -10.636 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.579 2.116 -9.484 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.301 0.576 -8.961 1.00 0.00 H new ATOM 1061 N LEU A 72 -9.582 3.239 -6.535 1.00 0.00 N ATOM 1062 CA LEU A 72 -8.379 4.080 -6.279 1.00 0.00 C ATOM 1063 C LEU A 72 -7.140 3.431 -6.892 1.00 0.00 C ATOM 1064 O LEU A 72 -6.469 2.642 -6.260 1.00 0.00 O ATOM 1065 CB LEU A 72 -8.157 4.233 -4.766 1.00 0.00 C ATOM 1066 CG LEU A 72 -9.468 3.994 -4.012 1.00 0.00 C ATOM 1067 CD1 LEU A 72 -9.251 4.223 -2.515 1.00 0.00 C ATOM 1068 CD2 LEU A 72 -10.532 4.967 -4.523 1.00 0.00 C ATOM 0 H LEU A 72 -9.720 2.467 -5.883 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.542 5.058 -6.731 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.401 3.524 -4.429 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.779 5.231 -4.546 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.797 2.968 -4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.186 4.052 -1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.492 3.532 -2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.920 5.248 -2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.466 4.799 -3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.198 5.991 -4.357 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.691 4.805 -5.589 1.00 0.00 H new ATOM 1080 N ASN A 73 -6.807 3.780 -8.105 1.00 0.00 N ATOM 1081 CA ASN A 73 -5.584 3.194 -8.724 1.00 0.00 C ATOM 1082 C ASN A 73 -4.381 3.935 -8.155 1.00 0.00 C ATOM 1083 O ASN A 73 -4.052 5.029 -8.566 1.00 0.00 O ATOM 1084 CB ASN A 73 -5.631 3.362 -10.236 1.00 0.00 C ATOM 1085 CG ASN A 73 -6.792 2.547 -10.818 1.00 0.00 C ATOM 1086 OD1 ASN A 73 -7.176 2.747 -11.953 1.00 0.00 O ATOM 1087 ND2 ASN A 73 -7.372 1.630 -10.089 1.00 0.00 N ATOM 0 H ASN A 73 -7.323 4.438 -8.689 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.518 2.129 -8.504 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.752 4.415 -10.490 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.689 3.034 -10.676 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.144 1.085 -10.474 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.053 1.459 -9.136 1.00 0.00 H new ATOM 1094 N ILE A 74 -3.747 3.353 -7.181 1.00 0.00 N ATOM 1095 CA ILE A 74 -2.589 4.014 -6.531 1.00 0.00 C ATOM 1096 C ILE A 74 -1.334 3.860 -7.391 1.00 0.00 C ATOM 1097 O ILE A 74 -1.154 2.877 -8.080 1.00 0.00 O ATOM 1098 CB ILE A 74 -2.368 3.353 -5.170 1.00 0.00 C ATOM 1099 CG1 ILE A 74 -3.524 3.721 -4.238 1.00 0.00 C ATOM 1100 CG2 ILE A 74 -1.053 3.834 -4.565 1.00 0.00 C ATOM 1101 CD1 ILE A 74 -3.876 2.517 -3.366 1.00 0.00 C ATOM 0 H ILE A 74 -3.985 2.436 -6.803 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.790 5.079 -6.411 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.326 2.271 -5.297 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.245 4.568 -3.612 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.392 4.028 -4.821 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.903 3.359 -3.596 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.229 3.572 -5.229 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.086 4.916 -4.437 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.700 2.778 -2.701 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.172 1.682 -4.001 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.007 2.231 -2.773 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.463 4.831 -7.349 1.00 0.00 N ATOM 1114 CA LYS A 75 0.787 4.755 -8.154 1.00 0.00 C ATOM 1115 C LYS A 75 1.959 5.261 -7.311 1.00 0.00 C ATOM 1116 O LYS A 75 2.212 6.447 -7.233 1.00 0.00 O ATOM 1117 CB LYS A 75 0.644 5.624 -9.397 1.00 0.00 C ATOM 1118 CG LYS A 75 1.852 5.415 -10.311 1.00 0.00 C ATOM 1119 CD LYS A 75 1.457 4.514 -11.483 1.00 0.00 C ATOM 1120 CE LYS A 75 0.907 5.373 -12.625 1.00 0.00 C ATOM 1121 NZ LYS A 75 -0.544 5.084 -12.810 1.00 0.00 N ATOM 0 H LYS A 75 -0.565 5.677 -6.789 1.00 0.00 H new ATOM 0 HA LYS A 75 0.968 3.723 -8.453 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.274 5.370 -9.927 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.568 6.673 -9.113 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.211 6.375 -10.682 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.671 4.963 -9.751 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.321 3.945 -11.825 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.706 3.791 -11.163 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.053 6.430 -12.402 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.451 5.164 -13.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.926 5.692 -13.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.668 4.086 -13.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.052 5.273 -11.922 1.00 0.00 H new ATOM 1135 N PHE A 76 2.676 4.375 -6.674 1.00 0.00 N ATOM 1136 CA PHE A 76 3.828 4.825 -5.836 1.00 0.00 C ATOM 1137 C PHE A 76 4.946 5.340 -6.747 1.00 0.00 C ATOM 1138 O PHE A 76 5.105 4.895 -7.866 1.00 0.00 O ATOM 1139 CB PHE A 76 4.368 3.667 -4.981 1.00 0.00 C ATOM 1140 CG PHE A 76 3.242 2.930 -4.289 1.00 0.00 C ATOM 1141 CD1 PHE A 76 2.510 1.953 -4.971 1.00 0.00 C ATOM 1142 CD2 PHE A 76 2.947 3.218 -2.955 1.00 0.00 C ATOM 1143 CE1 PHE A 76 1.478 1.268 -4.318 1.00 0.00 C ATOM 1144 CE2 PHE A 76 1.918 2.533 -2.300 1.00 0.00 C ATOM 1145 CZ PHE A 76 1.181 1.558 -2.982 1.00 0.00 C ATOM 0 H PHE A 76 2.517 3.368 -6.696 1.00 0.00 H new ATOM 0 HA PHE A 76 3.485 5.619 -5.173 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.926 2.975 -5.611 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.065 4.054 -4.237 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.741 1.727 -6.002 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.514 3.971 -2.428 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.911 0.515 -4.846 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.692 2.757 -1.268 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.385 1.031 -2.478 1.00 0.00 H new ATOM 1155 N ALA A 77 5.718 6.282 -6.274 1.00 0.00 N ATOM 1156 CA ALA A 77 6.824 6.837 -7.108 1.00 0.00 C ATOM 1157 C ALA A 77 7.847 5.741 -7.410 1.00 0.00 C ATOM 1158 O ALA A 77 8.723 5.911 -8.235 1.00 0.00 O ATOM 1159 CB ALA A 77 7.511 7.974 -6.351 1.00 0.00 C ATOM 0 H ALA A 77 5.630 6.692 -5.344 1.00 0.00 H new ATOM 0 HA ALA A 77 6.412 7.214 -8.044 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.319 8.380 -6.959 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.786 8.760 -6.139 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.918 7.594 -5.414 1.00 0.00 H new ATOM 1165 N GLY A 78 7.749 4.620 -6.750 1.00 0.00 N ATOM 1166 CA GLY A 78 8.724 3.521 -7.009 1.00 0.00 C ATOM 1167 C GLY A 78 9.047 2.803 -5.698 1.00 0.00 C ATOM 1168 O GLY A 78 10.167 2.938 -5.234 1.00 0.00 O ATOM 1169 OXT GLY A 78 8.170 2.130 -5.183 1.00 0.00 O ATOM 0 H GLY A 78 7.040 4.417 -6.046 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.310 2.816 -7.729 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.636 3.926 -7.448 1.00 0.00 H new TER 1173 GLY A 78