USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 792 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 83 HIS : no HD1:sc= -2.39 K(o=-7,f=-7.8!) USER MOD Set 1.2: A 87 GLN : amide:sc= -4.66 K(o=-7,f=-10!) USER MOD Set 2.1: A 22 ASN : amide:sc= -8.78! C(o=-11!,f=-10!) USER MOD Set 2.2: A 81 THR OG1 : rot -100:sc= -2.43 USER MOD Set 3.1: A 13 GLN : amide:sc= -0.537 K(o=-1,f=-3.2!) USER MOD Set 3.2: A 38 GLN : amide:sc= -0.513 K(o=-1,f=-0.25) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -4.75 K(o=-4.8,f=-17!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.32 X(o=-0.32,f=-0.024) USER MOD Single : A 20 HIS : no HD1:sc= -11.1! C(o=-11!,f=-11!) USER MOD Single : A 21 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0319) USER MOD Single : A 24 HIS : no HD1:sc= -0.0807 K(o=-0.081,f=-0.88) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.352 X(o=-0.35,f=-0.015) USER MOD Single : A 31 HIS : no HD1:sc= -2.44 X(o=-2.4,f=-2.9!) USER MOD Single : A 35 ASN : amide:sc= -0.967 K(o=-0.97,f=-3.4!) USER MOD Single : A 36 HIS : no HD1:sc= -2.89 X(o=-2.9,f=-3.1!) USER MOD Single : A 39 ASN : amide:sc=-0.00743 K(o=-0.0074,f=-2) USER MOD Single : A 45 HIS : no HE2:sc= -7.7! C(o=-7.7!,f=-10!) USER MOD Single : A 48 MET CE :methyl -166:sc= -8.6! (180deg=-9.28!) USER MOD Single : A 49 GLN : amide:sc= -0.201 K(o=-0.2,f=-1.2!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 143:sc= -4.03! (180deg=-7.29!) USER MOD Single : A 58 GLN : amide:sc= -1.03 K(o=-1,f=-3.1!) USER MOD Single : A 60 MET CE :methyl -161:sc= -1.27 (180deg=-2.77!) USER MOD Single : A 61 MET CE :methyl -160:sc= 0 (180deg=-0.301) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc= -0.212 K(o=-0.21,f=-1.3) USER MOD Single : A 72 ASN : amide:sc=-0.000466 K(o=-0.00047,f=-1.1) USER MOD Single : A 73 ASN : amide:sc= -0.233 K(o=-0.23,f=-0.96) USER MOD Single : A 74 HIS : no HD1:sc= -0.861 X(o=-0.86,f=-0.92) USER MOD Single : A 76 GLN : amide:sc= -0.734 K(o=-0.73,f=-3.6!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.43 X(o=-0.43,f=-0.17) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc= 0.352 K(o=0.35,f=-0.26) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.428 X(o=-0.43,f=-0.56) USER MOD Single : A 95 HIS : no HD1:sc= -0.315 K(o=-0.31,f=-3.5!) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 41 N GLY A 3 -0.632 -16.073 4.575 1.00 0.00 N ATOM 42 CA GLY A 3 -1.567 -15.027 4.947 1.00 0.00 C ATOM 43 C GLY A 3 -1.019 -14.099 6.014 1.00 0.00 C ATOM 44 O GLY A 3 -1.454 -12.954 6.128 1.00 0.00 O ATOM 0 HA2 GLY A 3 -1.823 -14.444 4.062 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.490 -15.482 5.307 1.00 0.00 H new ATOM 48 N LYS A 4 -0.065 -14.590 6.801 1.00 0.00 N ATOM 49 CA LYS A 4 0.531 -13.785 7.861 1.00 0.00 C ATOM 50 C LYS A 4 1.269 -12.589 7.293 1.00 0.00 C ATOM 51 O LYS A 4 1.553 -11.634 8.016 1.00 0.00 O ATOM 52 CB LYS A 4 1.472 -14.632 8.719 1.00 0.00 C ATOM 53 CG LYS A 4 1.940 -13.930 9.983 1.00 0.00 C ATOM 54 CD LYS A 4 0.850 -13.900 11.042 1.00 0.00 C ATOM 55 CE LYS A 4 1.135 -12.853 12.106 1.00 0.00 C ATOM 56 NZ LYS A 4 2.178 -13.308 13.067 1.00 0.00 N ATOM 0 H LYS A 4 0.309 -15.536 6.725 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.278 -13.416 8.491 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.966 -15.557 8.994 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.342 -14.909 8.124 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.819 -14.439 10.379 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.243 -12.911 9.743 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.110 -13.690 10.571 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.768 -14.882 11.509 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.460 -11.929 11.628 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.217 -12.626 12.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.344 -12.566 13.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.858 -14.176 13.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.062 -13.500 12.554 1.00 0.00 H new ATOM 70 N LEU A 5 1.546 -12.611 5.993 1.00 0.00 N ATOM 71 CA LEU A 5 2.209 -11.482 5.367 1.00 0.00 C ATOM 72 C LEU A 5 1.417 -10.213 5.667 1.00 0.00 C ATOM 73 O LEU A 5 1.953 -9.104 5.627 1.00 0.00 O ATOM 74 CB LEU A 5 2.335 -11.691 3.856 1.00 0.00 C ATOM 75 CG LEU A 5 3.735 -11.444 3.286 1.00 0.00 C ATOM 76 CD1 LEU A 5 4.244 -10.069 3.688 1.00 0.00 C ATOM 77 CD2 LEU A 5 4.700 -12.524 3.751 1.00 0.00 C ATOM 0 H LEU A 5 1.325 -13.384 5.366 1.00 0.00 H new ATOM 0 HA LEU A 5 3.217 -11.389 5.772 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.037 -12.712 3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.631 -11.028 3.352 1.00 0.00 H new ATOM 0 HG LEU A 5 3.671 -11.482 2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.240 -9.914 3.273 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.568 -9.304 3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.290 -10.001 4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.689 -12.331 3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.756 -12.518 4.840 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.347 -13.498 3.411 1.00 0.00 H new ATOM 89 N ASN A 6 0.132 -10.392 5.989 1.00 0.00 N ATOM 90 CA ASN A 6 -0.734 -9.275 6.317 1.00 0.00 C ATOM 91 C ASN A 6 -0.130 -8.438 7.435 1.00 0.00 C ATOM 92 O ASN A 6 -0.094 -7.210 7.353 1.00 0.00 O ATOM 93 CB ASN A 6 -2.121 -9.762 6.721 1.00 0.00 C ATOM 94 CG ASN A 6 -2.072 -10.854 7.771 1.00 0.00 C ATOM 95 OD1 ASN A 6 -0.997 -11.316 8.153 1.00 0.00 O ATOM 96 ND2 ASN A 6 -3.239 -11.273 8.245 1.00 0.00 N ATOM 0 H ASN A 6 -0.324 -11.304 6.027 1.00 0.00 H new ATOM 0 HA ASN A 6 -0.831 -8.654 5.426 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.700 -8.921 7.103 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.643 -10.134 5.839 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.268 -12.006 8.954 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.107 -10.862 7.900 1.00 0.00 H new ATOM 103 N ASP A 7 0.366 -9.110 8.472 1.00 0.00 N ATOM 104 CA ASP A 7 0.992 -8.420 9.593 1.00 0.00 C ATOM 105 C ASP A 7 2.026 -7.433 9.070 1.00 0.00 C ATOM 106 O ASP A 7 2.224 -6.355 9.633 1.00 0.00 O ATOM 107 CB ASP A 7 1.653 -9.425 10.539 1.00 0.00 C ATOM 108 CG ASP A 7 1.540 -9.011 11.993 1.00 0.00 C ATOM 109 OD1 ASP A 7 0.465 -9.230 12.590 1.00 0.00 O ATOM 110 OD2 ASP A 7 2.525 -8.467 12.535 1.00 0.00 O ATOM 0 H ASP A 7 0.346 -10.126 8.557 1.00 0.00 H new ATOM 0 HA ASP A 7 0.226 -7.879 10.149 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.191 -10.403 10.406 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.705 -9.531 10.275 1.00 0.00 H new ATOM 115 N LEU A 8 2.666 -7.808 7.966 1.00 0.00 N ATOM 116 CA LEU A 8 3.664 -6.962 7.329 1.00 0.00 C ATOM 117 C LEU A 8 2.993 -6.018 6.342 1.00 0.00 C ATOM 118 O LEU A 8 3.456 -4.898 6.126 1.00 0.00 O ATOM 119 CB LEU A 8 4.718 -7.818 6.620 1.00 0.00 C ATOM 120 CG LEU A 8 5.718 -7.050 5.745 1.00 0.00 C ATOM 121 CD1 LEU A 8 5.102 -6.703 4.397 1.00 0.00 C ATOM 122 CD2 LEU A 8 6.203 -5.793 6.457 1.00 0.00 C ATOM 0 H LEU A 8 2.508 -8.698 7.494 1.00 0.00 H new ATOM 0 HA LEU A 8 4.163 -6.370 8.096 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.275 -8.374 7.374 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.205 -8.551 5.997 1.00 0.00 H new ATOM 0 HG LEU A 8 6.579 -7.695 5.568 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.829 -6.159 3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.816 -7.619 3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.220 -6.082 4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.911 -5.264 5.819 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.353 -5.145 6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.693 -6.070 7.391 1.00 0.00 H new ATOM 134 N LEU A 9 1.884 -6.465 5.755 1.00 0.00 N ATOM 135 CA LEU A 9 1.149 -5.641 4.810 1.00 0.00 C ATOM 136 C LEU A 9 0.566 -4.432 5.537 1.00 0.00 C ATOM 137 O LEU A 9 0.536 -3.323 5.008 1.00 0.00 O ATOM 138 CB LEU A 9 0.029 -6.445 4.150 1.00 0.00 C ATOM 139 CG LEU A 9 -0.082 -6.288 2.632 1.00 0.00 C ATOM 140 CD1 LEU A 9 -1.301 -7.030 2.107 1.00 0.00 C ATOM 141 CD2 LEU A 9 -0.141 -4.818 2.241 1.00 0.00 C ATOM 0 H LEU A 9 1.481 -7.387 5.919 1.00 0.00 H new ATOM 0 HA LEU A 9 1.832 -5.303 4.031 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.178 -7.500 4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.920 -6.152 4.599 1.00 0.00 H new ATOM 0 HG LEU A 9 0.809 -6.723 2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.364 -6.907 1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.213 -8.090 2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.201 -6.626 2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.220 -4.733 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.010 -4.353 2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.765 -4.315 2.580 1.00 0.00 H new ATOM 153 N GLU A 10 0.109 -4.664 6.766 1.00 0.00 N ATOM 154 CA GLU A 10 -0.476 -3.609 7.590 1.00 0.00 C ATOM 155 C GLU A 10 0.434 -2.384 7.648 1.00 0.00 C ATOM 156 O GLU A 10 -0.039 -1.249 7.585 1.00 0.00 O ATOM 157 CB GLU A 10 -0.744 -4.130 9.004 1.00 0.00 C ATOM 158 CG GLU A 10 -2.180 -3.932 9.462 1.00 0.00 C ATOM 159 CD GLU A 10 -2.490 -4.679 10.744 1.00 0.00 C ATOM 160 OE1 GLU A 10 -1.605 -4.744 11.622 1.00 0.00 O ATOM 161 OE2 GLU A 10 -3.618 -5.200 10.870 1.00 0.00 O ATOM 0 H GLU A 10 0.133 -5.580 7.215 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.419 -3.310 7.133 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.502 -5.192 9.043 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.076 -3.625 9.701 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.367 -2.869 9.611 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.858 -4.268 8.677 1.00 0.00 H new ATOM 168 N ASP A 11 1.740 -2.619 7.765 1.00 0.00 N ATOM 169 CA ASP A 11 2.711 -1.527 7.826 1.00 0.00 C ATOM 170 C ASP A 11 2.432 -0.503 6.731 1.00 0.00 C ATOM 171 O ASP A 11 2.482 0.705 6.963 1.00 0.00 O ATOM 172 CB ASP A 11 4.134 -2.071 7.684 1.00 0.00 C ATOM 173 CG ASP A 11 4.791 -2.327 9.026 1.00 0.00 C ATOM 174 OD1 ASP A 11 4.571 -3.415 9.598 1.00 0.00 O ATOM 175 OD2 ASP A 11 5.527 -1.437 9.505 1.00 0.00 O ATOM 0 H ASP A 11 2.149 -3.552 7.819 1.00 0.00 H new ATOM 0 HA ASP A 11 2.616 -1.037 8.795 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.110 -2.998 7.111 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.737 -1.361 7.117 1.00 0.00 H new ATOM 180 N LEU A 12 2.121 -1.003 5.540 1.00 0.00 N ATOM 181 CA LEU A 12 1.813 -0.149 4.402 1.00 0.00 C ATOM 182 C LEU A 12 0.650 0.776 4.736 1.00 0.00 C ATOM 183 O LEU A 12 0.787 1.997 4.722 1.00 0.00 O ATOM 184 CB LEU A 12 1.491 -1.012 3.163 1.00 0.00 C ATOM 185 CG LEU A 12 0.207 -0.653 2.386 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.434 -0.771 0.886 1.00 0.00 C ATOM 187 CD2 LEU A 12 -0.952 -1.543 2.816 1.00 0.00 C ATOM 0 H LEU A 12 2.076 -2.002 5.339 1.00 0.00 H new ATOM 0 HA LEU A 12 2.683 0.467 4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.334 -0.949 2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.417 -2.052 3.482 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.048 0.381 2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.484 -0.513 0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.230 -0.090 0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.719 -1.794 0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.846 -1.272 2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.702 -2.586 2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.138 -1.409 3.882 1.00 0.00 H new ATOM 199 N GLN A 13 -0.498 0.184 5.034 1.00 0.00 N ATOM 200 CA GLN A 13 -1.690 0.955 5.361 1.00 0.00 C ATOM 201 C GLN A 13 -1.391 1.998 6.434 1.00 0.00 C ATOM 202 O GLN A 13 -1.890 3.122 6.376 1.00 0.00 O ATOM 203 CB GLN A 13 -2.816 0.030 5.824 1.00 0.00 C ATOM 204 CG GLN A 13 -4.146 0.741 6.025 1.00 0.00 C ATOM 205 CD GLN A 13 -4.505 0.905 7.488 1.00 0.00 C ATOM 206 OE1 GLN A 13 -3.747 1.485 8.265 1.00 0.00 O ATOM 207 NE2 GLN A 13 -5.668 0.392 7.873 1.00 0.00 N ATOM 0 H GLN A 13 -0.630 -0.827 5.056 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.011 1.475 4.459 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.946 -0.765 5.090 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.523 -0.445 6.760 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.104 1.723 5.553 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.933 0.179 5.522 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.266 -0.081 7.195 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.963 0.471 8.846 1.00 0.00 H new ATOM 216 N GLU A 14 -0.562 1.626 7.403 1.00 0.00 N ATOM 217 CA GLU A 14 -0.186 2.539 8.474 1.00 0.00 C ATOM 218 C GLU A 14 0.803 3.564 7.951 1.00 0.00 C ATOM 219 O GLU A 14 0.826 4.709 8.402 1.00 0.00 O ATOM 220 CB GLU A 14 0.416 1.770 9.652 1.00 0.00 C ATOM 221 CG GLU A 14 -0.546 1.590 10.816 1.00 0.00 C ATOM 222 CD GLU A 14 -0.250 2.530 11.968 1.00 0.00 C ATOM 223 OE1 GLU A 14 -0.509 3.743 11.826 1.00 0.00 O ATOM 224 OE2 GLU A 14 0.240 2.052 13.013 1.00 0.00 O ATOM 0 H GLU A 14 -0.139 0.700 7.468 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.080 3.054 8.826 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.743 0.789 9.306 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.304 2.296 10.003 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.566 1.757 10.469 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.494 0.560 11.170 1.00 0.00 H new ATOM 231 N VAL A 15 1.605 3.150 6.979 1.00 0.00 N ATOM 232 CA VAL A 15 2.576 4.043 6.379 1.00 0.00 C ATOM 233 C VAL A 15 1.856 5.172 5.651 1.00 0.00 C ATOM 234 O VAL A 15 2.361 6.291 5.559 1.00 0.00 O ATOM 235 CB VAL A 15 3.539 3.280 5.433 1.00 0.00 C ATOM 236 CG1 VAL A 15 3.069 3.270 3.977 1.00 0.00 C ATOM 237 CG2 VAL A 15 4.934 3.861 5.542 1.00 0.00 C ATOM 0 H VAL A 15 1.600 2.206 6.594 1.00 0.00 H new ATOM 0 HA VAL A 15 3.189 4.475 7.171 1.00 0.00 H new ATOM 0 HB VAL A 15 3.548 2.239 5.756 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.786 2.721 3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.094 2.788 3.913 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.992 4.294 3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.606 3.321 4.875 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.913 4.914 5.261 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.288 3.767 6.569 1.00 0.00 H new ATOM 247 N LEU A 16 0.657 4.869 5.154 1.00 0.00 N ATOM 248 CA LEU A 16 -0.148 5.859 4.456 1.00 0.00 C ATOM 249 C LEU A 16 -0.533 6.987 5.408 1.00 0.00 C ATOM 250 O LEU A 16 -0.728 8.127 4.989 1.00 0.00 O ATOM 251 CB LEU A 16 -1.406 5.213 3.871 1.00 0.00 C ATOM 252 CG LEU A 16 -1.215 4.508 2.526 1.00 0.00 C ATOM 253 CD1 LEU A 16 -0.488 5.409 1.543 1.00 0.00 C ATOM 254 CD2 LEU A 16 -0.455 3.209 2.712 1.00 0.00 C ATOM 0 H LEU A 16 0.226 3.947 5.224 1.00 0.00 H new ATOM 0 HA LEU A 16 0.443 6.271 3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.791 4.490 4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.169 5.983 3.754 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.200 4.281 2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.364 4.887 0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.069 6.317 1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.491 5.670 1.944 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.328 2.720 1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.523 3.419 3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.014 2.553 3.380 1.00 0.00 H new ATOM 266 N LYS A 17 -0.632 6.662 6.700 1.00 0.00 N ATOM 267 CA LYS A 17 -0.980 7.654 7.714 1.00 0.00 C ATOM 268 C LYS A 17 -0.115 8.895 7.548 1.00 0.00 C ATOM 269 O LYS A 17 -0.594 10.024 7.654 1.00 0.00 O ATOM 270 CB LYS A 17 -0.803 7.075 9.119 1.00 0.00 C ATOM 271 CG LYS A 17 -1.064 8.085 10.227 1.00 0.00 C ATOM 272 CD LYS A 17 0.174 8.317 11.082 1.00 0.00 C ATOM 273 CE LYS A 17 0.469 9.800 11.247 1.00 0.00 C ATOM 274 NZ LYS A 17 1.486 10.051 12.305 1.00 0.00 N ATOM 0 H LYS A 17 -0.476 5.722 7.065 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.027 7.929 7.583 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.479 6.229 9.243 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.212 6.690 9.220 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.386 9.030 9.789 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.880 7.731 10.857 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.031 7.862 12.062 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.031 7.823 10.624 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.823 10.207 10.300 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.452 10.327 11.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.658 11.073 12.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.138 9.686 13.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.373 9.569 12.055 1.00 0.00 H new ATOM 288 N ASN A 18 1.160 8.669 7.267 1.00 0.00 N ATOM 289 CA ASN A 18 2.099 9.764 7.058 1.00 0.00 C ATOM 290 C ASN A 18 1.819 10.435 5.720 1.00 0.00 C ATOM 291 O ASN A 18 1.775 11.661 5.617 1.00 0.00 O ATOM 292 CB ASN A 18 3.537 9.243 7.085 1.00 0.00 C ATOM 293 CG ASN A 18 4.074 9.093 8.495 1.00 0.00 C ATOM 294 OD1 ASN A 18 4.541 8.023 8.883 1.00 0.00 O ATOM 295 ND2 ASN A 18 4.006 10.169 9.270 1.00 0.00 N ATOM 0 H ASN A 18 1.569 7.739 7.178 1.00 0.00 H new ATOM 0 HA ASN A 18 1.974 10.492 7.860 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.580 8.279 6.579 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.178 9.925 6.526 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.349 10.129 10.230 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.610 11.036 8.906 1.00 0.00 H new ATOM 302 N LEU A 19 1.630 9.604 4.701 1.00 0.00 N ATOM 303 CA LEU A 19 1.350 10.068 3.346 1.00 0.00 C ATOM 304 C LEU A 19 0.321 11.201 3.340 1.00 0.00 C ATOM 305 O LEU A 19 0.523 12.233 2.703 1.00 0.00 O ATOM 306 CB LEU A 19 0.866 8.875 2.507 1.00 0.00 C ATOM 307 CG LEU A 19 -0.303 9.134 1.551 1.00 0.00 C ATOM 308 CD1 LEU A 19 -0.078 8.431 0.221 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.599 8.666 2.178 1.00 0.00 C ATOM 0 H LEU A 19 1.667 8.589 4.791 1.00 0.00 H new ATOM 0 HA LEU A 19 2.263 10.474 2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.709 8.507 1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.577 8.075 3.188 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.365 10.206 1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.920 8.629 -0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.839 8.803 -0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.009 7.357 0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.424 8.854 1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.537 7.598 2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.770 9.208 3.108 1.00 0.00 H new ATOM 321 N HIS A 20 -0.783 10.990 4.043 1.00 0.00 N ATOM 322 CA HIS A 20 -1.858 11.978 4.116 1.00 0.00 C ATOM 323 C HIS A 20 -1.327 13.387 4.372 1.00 0.00 C ATOM 324 O HIS A 20 -1.849 14.362 3.832 1.00 0.00 O ATOM 325 CB HIS A 20 -2.841 11.601 5.227 1.00 0.00 C ATOM 326 CG HIS A 20 -3.407 10.227 5.106 1.00 0.00 C ATOM 327 ND1 HIS A 20 -3.040 9.200 5.940 1.00 0.00 N ATOM 328 CD2 HIS A 20 -4.321 9.711 4.258 1.00 0.00 C ATOM 329 CE1 HIS A 20 -3.703 8.106 5.612 1.00 0.00 C ATOM 330 NE2 HIS A 20 -4.489 8.390 4.592 1.00 0.00 N ATOM 0 H HIS A 20 -0.961 10.138 4.575 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.363 11.978 3.150 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.336 11.690 6.189 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.660 12.320 5.230 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -4.827 10.239 3.463 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -3.616 7.144 6.096 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -5.119 7.736 4.127 1.00 0.00 H new ATOM 339 N LYS A 21 -0.319 13.493 5.226 1.00 0.00 N ATOM 340 CA LYS A 21 0.244 14.794 5.585 1.00 0.00 C ATOM 341 C LYS A 21 1.403 15.210 4.686 1.00 0.00 C ATOM 342 O LYS A 21 2.054 16.223 4.947 1.00 0.00 O ATOM 343 CB LYS A 21 0.707 14.769 7.038 1.00 0.00 C ATOM 344 CG LYS A 21 -0.241 14.017 7.952 1.00 0.00 C ATOM 345 CD LYS A 21 -1.558 14.763 8.121 1.00 0.00 C ATOM 346 CE LYS A 21 -2.508 14.519 6.953 1.00 0.00 C ATOM 347 NZ LYS A 21 -3.934 14.622 7.368 1.00 0.00 N ATOM 0 H LYS A 21 0.127 12.698 5.684 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.547 15.532 5.448 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.694 14.309 7.091 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.813 15.793 7.397 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.433 13.025 7.543 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.226 13.875 8.926 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.036 14.449 9.049 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.360 15.831 8.210 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.306 15.243 6.163 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.322 13.530 6.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.547 14.517 6.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.151 13.871 8.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.102 15.550 7.806 1.00 0.00 H new ATOM 361 N ASN A 22 1.673 14.447 3.636 1.00 0.00 N ATOM 362 CA ASN A 22 2.770 14.785 2.739 1.00 0.00 C ATOM 363 C ASN A 22 2.475 14.398 1.293 1.00 0.00 C ATOM 364 O ASN A 22 3.369 14.434 0.447 1.00 0.00 O ATOM 365 CB ASN A 22 4.060 14.108 3.202 1.00 0.00 C ATOM 366 CG ASN A 22 4.381 14.404 4.654 1.00 0.00 C ATOM 367 OD1 ASN A 22 5.289 15.179 4.956 1.00 0.00 O ATOM 368 ND2 ASN A 22 3.635 13.787 5.564 1.00 0.00 N ATOM 0 H ASN A 22 1.157 13.603 3.386 1.00 0.00 H new ATOM 0 HA ASN A 22 2.890 15.868 2.773 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.970 13.030 3.065 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.887 14.441 2.575 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.805 13.948 6.557 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.893 13.153 5.270 1.00 0.00 H new ATOM 375 N TRP A 23 1.231 14.031 0.998 1.00 0.00 N ATOM 376 CA TRP A 23 0.872 13.652 -0.360 1.00 0.00 C ATOM 377 C TRP A 23 0.595 14.889 -1.213 1.00 0.00 C ATOM 378 O TRP A 23 0.914 14.917 -2.399 1.00 0.00 O ATOM 379 CB TRP A 23 -0.322 12.687 -0.354 1.00 0.00 C ATOM 380 CG TRP A 23 -1.640 13.310 -0.675 1.00 0.00 C ATOM 381 CD1 TRP A 23 -2.677 13.498 0.175 1.00 0.00 C ATOM 382 CD2 TRP A 23 -2.065 13.793 -1.942 1.00 0.00 C ATOM 383 NE1 TRP A 23 -3.723 14.099 -0.474 1.00 0.00 N ATOM 384 CE2 TRP A 23 -3.371 14.289 -1.787 1.00 0.00 C ATOM 385 CE3 TRP A 23 -1.460 13.863 -3.189 1.00 0.00 C ATOM 386 CZ2 TRP A 23 -4.082 14.847 -2.847 1.00 0.00 C ATOM 387 CZ3 TRP A 23 -2.157 14.408 -4.236 1.00 0.00 C ATOM 388 CH2 TRP A 23 -3.460 14.897 -4.066 1.00 0.00 C ATOM 0 H TRP A 23 0.466 13.989 1.672 1.00 0.00 H new ATOM 0 HA TRP A 23 1.716 13.129 -0.809 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -0.129 11.890 -1.073 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -0.388 12.221 0.629 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -2.679 13.214 1.217 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -4.614 14.361 -0.052 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -0.455 13.494 -3.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -5.085 15.225 -2.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -1.694 14.462 -5.210 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -3.982 15.320 -4.911 1.00 0.00 H new ATOM 399 N HIS A 24 0.014 15.914 -0.597 1.00 0.00 N ATOM 400 CA HIS A 24 -0.293 17.156 -1.301 1.00 0.00 C ATOM 401 C HIS A 24 -0.934 18.167 -0.357 1.00 0.00 C ATOM 402 O HIS A 24 -0.490 19.310 -0.256 1.00 0.00 O ATOM 403 CB HIS A 24 -1.223 16.883 -2.485 1.00 0.00 C ATOM 404 CG HIS A 24 -1.611 18.115 -3.243 1.00 0.00 C ATOM 405 ND1 HIS A 24 -0.720 18.847 -3.998 1.00 0.00 N ATOM 406 CD2 HIS A 24 -2.805 18.744 -3.357 1.00 0.00 C ATOM 407 CE1 HIS A 24 -1.348 19.873 -4.545 1.00 0.00 C ATOM 408 NE2 HIS A 24 -2.614 19.833 -4.172 1.00 0.00 N ATOM 0 H HIS A 24 -0.254 15.910 0.387 1.00 0.00 H new ATOM 0 HA HIS A 24 0.642 17.574 -1.675 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -0.734 16.187 -3.167 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -2.125 16.392 -2.121 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.734 18.445 -2.894 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -0.902 20.617 -5.188 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.334 20.502 -4.445 1.00 0.00 H new ATOM 417 N GLY A 25 -1.977 17.731 0.336 1.00 0.00 N ATOM 418 CA GLY A 25 -2.667 18.601 1.272 1.00 0.00 C ATOM 419 C GLY A 25 -2.945 17.903 2.586 1.00 0.00 C ATOM 420 O GLY A 25 -2.096 17.878 3.476 1.00 0.00 O ATOM 0 H GLY A 25 -2.360 16.788 0.267 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.064 19.491 1.453 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.606 18.936 0.832 1.00 0.00 H new ATOM 424 N GLY A 26 -4.132 17.320 2.702 1.00 0.00 N ATOM 425 CA GLY A 26 -4.493 16.611 3.902 1.00 0.00 C ATOM 426 C GLY A 26 -5.012 15.228 3.589 1.00 0.00 C ATOM 427 O GLY A 26 -4.594 14.604 2.613 1.00 0.00 O ATOM 0 H GLY A 26 -4.851 17.329 1.978 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.625 16.536 4.557 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.254 17.173 4.444 1.00 0.00 H new ATOM 431 N LYS A 27 -5.928 14.755 4.408 1.00 0.00 N ATOM 432 CA LYS A 27 -6.517 13.438 4.213 1.00 0.00 C ATOM 433 C LYS A 27 -7.820 13.520 3.421 1.00 0.00 C ATOM 434 O LYS A 27 -8.311 12.512 2.917 1.00 0.00 O ATOM 435 CB LYS A 27 -6.761 12.753 5.555 1.00 0.00 C ATOM 436 CG LYS A 27 -7.121 11.283 5.418 1.00 0.00 C ATOM 437 CD LYS A 27 -8.160 10.863 6.445 1.00 0.00 C ATOM 438 CE LYS A 27 -7.520 10.135 7.617 1.00 0.00 C ATOM 439 NZ LYS A 27 -8.532 9.678 8.609 1.00 0.00 N ATOM 0 H LYS A 27 -6.285 15.261 5.219 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.808 12.844 3.637 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.867 12.846 6.171 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.565 13.270 6.079 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.503 11.093 4.415 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.224 10.675 5.538 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.691 11.743 6.808 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.899 10.216 5.973 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.960 9.276 7.248 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.804 10.795 8.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.054 9.187 9.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.049 10.500 8.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.200 9.028 8.149 1.00 0.00 H new ATOM 453 N ASP A 28 -8.381 14.721 3.317 1.00 0.00 N ATOM 454 CA ASP A 28 -9.630 14.916 2.587 1.00 0.00 C ATOM 455 C ASP A 28 -9.511 14.409 1.154 1.00 0.00 C ATOM 456 O ASP A 28 -10.330 13.614 0.696 1.00 0.00 O ATOM 457 CB ASP A 28 -10.024 16.393 2.588 1.00 0.00 C ATOM 458 CG ASP A 28 -11.526 16.592 2.531 1.00 0.00 C ATOM 459 OD1 ASP A 28 -12.118 16.340 1.461 1.00 0.00 O ATOM 460 OD2 ASP A 28 -12.110 16.999 3.557 1.00 0.00 O ATOM 0 H ASP A 28 -7.993 15.571 3.727 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.407 14.341 3.092 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.631 16.870 3.486 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.562 16.890 1.735 1.00 0.00 H new ATOM 465 N ASN A 29 -8.480 14.869 0.455 1.00 0.00 N ATOM 466 CA ASN A 29 -8.251 14.457 -0.924 1.00 0.00 C ATOM 467 C ASN A 29 -7.540 13.111 -0.970 1.00 0.00 C ATOM 468 O ASN A 29 -7.716 12.339 -1.913 1.00 0.00 O ATOM 469 CB ASN A 29 -7.429 15.513 -1.667 1.00 0.00 C ATOM 470 CG ASN A 29 -7.873 16.929 -1.351 1.00 0.00 C ATOM 471 OD1 ASN A 29 -7.050 17.836 -1.230 1.00 0.00 O ATOM 472 ND2 ASN A 29 -9.180 17.126 -1.216 1.00 0.00 N ATOM 0 H ASN A 29 -7.791 15.526 0.820 1.00 0.00 H new ATOM 0 HA ASN A 29 -9.218 14.356 -1.416 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -6.377 15.399 -1.405 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -7.510 15.342 -2.740 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -9.536 18.058 -1.004 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -9.827 16.345 -1.325 1.00 0.00 H new ATOM 479 N LEU A 30 -6.754 12.825 0.061 1.00 0.00 N ATOM 480 CA LEU A 30 -6.042 11.560 0.139 1.00 0.00 C ATOM 481 C LEU A 30 -7.037 10.439 0.397 1.00 0.00 C ATOM 482 O LEU A 30 -6.848 9.312 -0.054 1.00 0.00 O ATOM 483 CB LEU A 30 -4.996 11.608 1.257 1.00 0.00 C ATOM 484 CG LEU A 30 -3.924 10.505 1.234 1.00 0.00 C ATOM 485 CD1 LEU A 30 -4.563 9.136 1.384 1.00 0.00 C ATOM 486 CD2 LEU A 30 -3.074 10.561 -0.035 1.00 0.00 C ATOM 0 H LEU A 30 -6.595 13.451 0.851 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.528 11.377 -0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.494 12.574 1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.515 11.561 2.214 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.260 10.680 2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.789 8.369 1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.100 9.087 2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.260 8.968 0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.330 9.765 -0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.714 10.432 -0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.571 11.526 -0.094 1.00 0.00 H new ATOM 498 N HIS A 31 -8.103 10.761 1.128 1.00 0.00 N ATOM 499 CA HIS A 31 -9.140 9.789 1.453 1.00 0.00 C ATOM 500 C HIS A 31 -9.517 8.961 0.230 1.00 0.00 C ATOM 501 O HIS A 31 -9.460 7.734 0.261 1.00 0.00 O ATOM 502 CB HIS A 31 -10.378 10.500 2.007 1.00 0.00 C ATOM 503 CG HIS A 31 -10.668 10.172 3.440 1.00 0.00 C ATOM 504 ND1 HIS A 31 -11.150 11.099 4.340 1.00 0.00 N ATOM 505 CD2 HIS A 31 -10.543 9.012 4.127 1.00 0.00 C ATOM 506 CE1 HIS A 31 -11.307 10.523 5.519 1.00 0.00 C ATOM 507 NE2 HIS A 31 -10.947 9.257 5.416 1.00 0.00 N ATOM 0 H HIS A 31 -8.270 11.693 1.507 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.745 9.115 2.213 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -10.242 11.577 1.910 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.243 10.232 1.400 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -10.191 8.070 3.734 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -11.668 11.006 6.415 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -10.966 8.572 6.172 1.00 0.00 H new ATOM 516 N ASP A 32 -9.895 9.640 -0.847 1.00 0.00 N ATOM 517 CA ASP A 32 -10.274 8.955 -2.077 1.00 0.00 C ATOM 518 C ASP A 32 -9.114 8.131 -2.627 1.00 0.00 C ATOM 519 O ASP A 32 -9.313 7.206 -3.414 1.00 0.00 O ATOM 520 CB ASP A 32 -10.748 9.966 -3.125 1.00 0.00 C ATOM 521 CG ASP A 32 -12.199 9.761 -3.511 1.00 0.00 C ATOM 522 OD1 ASP A 32 -12.480 8.824 -4.288 1.00 0.00 O ATOM 523 OD2 ASP A 32 -13.056 10.537 -3.036 1.00 0.00 O ATOM 0 H ASP A 32 -9.947 10.658 -0.894 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.094 8.275 -1.845 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.617 10.976 -2.737 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.123 9.883 -4.014 1.00 0.00 H new ATOM 528 N VAL A 33 -7.903 8.471 -2.206 1.00 0.00 N ATOM 529 CA VAL A 33 -6.711 7.766 -2.648 1.00 0.00 C ATOM 530 C VAL A 33 -6.396 6.601 -1.715 1.00 0.00 C ATOM 531 O VAL A 33 -6.384 5.448 -2.142 1.00 0.00 O ATOM 532 CB VAL A 33 -5.513 8.735 -2.753 1.00 0.00 C ATOM 533 CG1 VAL A 33 -4.212 8.112 -2.275 1.00 0.00 C ATOM 534 CG2 VAL A 33 -5.361 9.207 -4.180 1.00 0.00 C ATOM 0 H VAL A 33 -7.722 9.235 -1.555 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.901 7.358 -3.641 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.724 9.580 -2.098 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.404 8.837 -2.371 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.312 7.817 -1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.985 7.234 -2.880 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.515 9.890 -4.249 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.189 8.349 -4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.270 9.722 -4.492 1.00 0.00 H new ATOM 544 N ASP A 34 -6.159 6.895 -0.439 1.00 0.00 N ATOM 545 CA ASP A 34 -5.868 5.842 0.522 1.00 0.00 C ATOM 546 C ASP A 34 -7.071 4.914 0.643 1.00 0.00 C ATOM 547 O ASP A 34 -6.918 3.733 0.957 1.00 0.00 O ATOM 548 CB ASP A 34 -5.466 6.424 1.885 1.00 0.00 C ATOM 549 CG ASP A 34 -5.695 5.459 3.035 1.00 0.00 C ATOM 550 OD1 ASP A 34 -4.977 4.440 3.108 1.00 0.00 O ATOM 551 OD2 ASP A 34 -6.593 5.723 3.862 1.00 0.00 O ATOM 0 H ASP A 34 -6.163 7.839 -0.054 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.016 5.264 0.163 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.413 6.704 1.858 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.034 7.337 2.066 1.00 0.00 H new ATOM 556 N ASN A 35 -8.271 5.431 0.347 1.00 0.00 N ATOM 557 CA ASN A 35 -9.467 4.598 0.388 1.00 0.00 C ATOM 558 C ASN A 35 -9.224 3.394 -0.506 1.00 0.00 C ATOM 559 O ASN A 35 -9.595 2.267 -0.179 1.00 0.00 O ATOM 560 CB ASN A 35 -10.701 5.375 -0.081 1.00 0.00 C ATOM 561 CG ASN A 35 -11.928 4.494 -0.217 1.00 0.00 C ATOM 562 OD1 ASN A 35 -11.926 3.520 -0.970 1.00 0.00 O ATOM 563 ND2 ASN A 35 -12.985 4.834 0.511 1.00 0.00 N ATOM 0 H ASN A 35 -8.432 6.403 0.082 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.661 4.280 1.413 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.911 6.177 0.626 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.487 5.844 -1.041 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.840 4.280 0.459 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.942 5.650 1.122 1.00 0.00 H new ATOM 570 N HIS A 36 -8.541 3.651 -1.619 1.00 0.00 N ATOM 571 CA HIS A 36 -8.172 2.604 -2.549 1.00 0.00 C ATOM 572 C HIS A 36 -7.180 1.690 -1.853 1.00 0.00 C ATOM 573 O HIS A 36 -7.346 0.471 -1.830 1.00 0.00 O ATOM 574 CB HIS A 36 -7.550 3.210 -3.812 1.00 0.00 C ATOM 575 CG HIS A 36 -8.379 3.014 -5.042 1.00 0.00 C ATOM 576 ND1 HIS A 36 -9.207 1.927 -5.228 1.00 0.00 N ATOM 577 CD2 HIS A 36 -8.508 3.777 -6.154 1.00 0.00 C ATOM 578 CE1 HIS A 36 -9.807 2.029 -6.401 1.00 0.00 C ATOM 579 NE2 HIS A 36 -9.401 3.143 -6.981 1.00 0.00 N ATOM 0 H HIS A 36 -8.233 4.584 -1.894 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.053 2.039 -2.852 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -7.396 4.277 -3.654 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.567 2.766 -3.972 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -8.002 4.710 -6.353 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -10.510 1.321 -6.815 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -9.702 3.478 -7.896 1.00 0.00 H new ATOM 588 N LEU A 37 -6.159 2.307 -1.257 1.00 0.00 N ATOM 589 CA LEU A 37 -5.136 1.569 -0.519 1.00 0.00 C ATOM 590 C LEU A 37 -5.773 0.658 0.528 1.00 0.00 C ATOM 591 O LEU A 37 -5.713 -0.566 0.423 1.00 0.00 O ATOM 592 CB LEU A 37 -4.181 2.541 0.181 1.00 0.00 C ATOM 593 CG LEU A 37 -2.819 1.966 0.587 1.00 0.00 C ATOM 594 CD1 LEU A 37 -2.886 0.459 0.801 1.00 0.00 C ATOM 595 CD2 LEU A 37 -1.769 2.309 -0.456 1.00 0.00 C ATOM 0 H LEU A 37 -6.019 3.317 -1.272 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.582 0.960 -1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.012 3.392 -0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.673 2.923 1.075 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.537 2.421 1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.902 0.088 1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.602 0.235 1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.202 -0.026 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.807 1.894 -0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.060 1.887 -1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.685 3.392 -0.545 1.00 0.00 H new ATOM 607 N GLN A 38 -6.374 1.271 1.545 1.00 0.00 N ATOM 608 CA GLN A 38 -7.019 0.530 2.627 1.00 0.00 C ATOM 609 C GLN A 38 -7.895 -0.595 2.082 1.00 0.00 C ATOM 610 O GLN A 38 -7.881 -1.711 2.601 1.00 0.00 O ATOM 611 CB GLN A 38 -7.862 1.474 3.486 1.00 0.00 C ATOM 612 CG GLN A 38 -8.021 1.011 4.925 1.00 0.00 C ATOM 613 CD GLN A 38 -8.777 2.011 5.779 1.00 0.00 C ATOM 614 OE1 GLN A 38 -9.767 2.596 5.341 1.00 0.00 O ATOM 615 NE2 GLN A 38 -8.312 2.211 7.007 1.00 0.00 N ATOM 0 H GLN A 38 -6.428 2.285 1.643 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.235 0.086 3.241 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.404 2.463 3.480 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.849 1.577 3.035 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.546 0.056 4.940 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.036 0.840 5.359 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.488 1.704 7.329 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.779 2.872 7.628 1.00 0.00 H new ATOM 624 N ASN A 39 -8.649 -0.295 1.033 1.00 0.00 N ATOM 625 CA ASN A 39 -9.526 -1.287 0.419 1.00 0.00 C ATOM 626 C ASN A 39 -8.714 -2.437 -0.168 1.00 0.00 C ATOM 627 O ASN A 39 -9.217 -3.549 -0.322 1.00 0.00 O ATOM 628 CB ASN A 39 -10.383 -0.641 -0.672 1.00 0.00 C ATOM 629 CG ASN A 39 -11.439 -1.586 -1.210 1.00 0.00 C ATOM 630 OD1 ASN A 39 -11.802 -2.565 -0.559 1.00 0.00 O ATOM 631 ND2 ASN A 39 -11.939 -1.295 -2.406 1.00 0.00 N ATOM 0 H ASN A 39 -8.672 0.623 0.590 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.182 -1.685 1.193 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.866 0.250 -0.271 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.740 -0.314 -1.490 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.653 -1.894 -2.820 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.608 -0.473 -2.911 1.00 0.00 H new ATOM 638 N VAL A 40 -7.453 -2.165 -0.488 1.00 0.00 N ATOM 639 CA VAL A 40 -6.573 -3.179 -1.048 1.00 0.00 C ATOM 640 C VAL A 40 -6.210 -4.219 0.006 1.00 0.00 C ATOM 641 O VAL A 40 -6.422 -5.414 -0.189 1.00 0.00 O ATOM 642 CB VAL A 40 -5.276 -2.556 -1.605 1.00 0.00 C ATOM 643 CG1 VAL A 40 -4.390 -3.618 -2.240 1.00 0.00 C ATOM 644 CG2 VAL A 40 -5.598 -1.455 -2.605 1.00 0.00 C ATOM 0 H VAL A 40 -7.019 -1.250 -0.368 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.114 -3.657 -1.865 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.728 -2.115 -0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.483 -3.152 -2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.125 -4.366 -1.492 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.927 -4.098 -3.059 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.671 -1.028 -2.987 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.173 -1.871 -3.432 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.181 -0.676 -2.113 1.00 0.00 H new ATOM 654 N ILE A 41 -5.654 -3.753 1.121 1.00 0.00 N ATOM 655 CA ILE A 41 -5.247 -4.637 2.210 1.00 0.00 C ATOM 656 C ILE A 41 -6.309 -5.696 2.515 1.00 0.00 C ATOM 657 O ILE A 41 -5.983 -6.853 2.775 1.00 0.00 O ATOM 658 CB ILE A 41 -4.915 -3.834 3.491 1.00 0.00 C ATOM 659 CG1 ILE A 41 -3.796 -4.528 4.270 1.00 0.00 C ATOM 660 CG2 ILE A 41 -6.148 -3.645 4.369 1.00 0.00 C ATOM 661 CD1 ILE A 41 -2.523 -3.715 4.351 1.00 0.00 C ATOM 0 H ILE A 41 -5.474 -2.764 1.295 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.346 -5.151 1.876 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.575 -2.843 3.191 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.146 -4.742 5.280 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.576 -5.486 3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.877 -3.077 5.259 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.912 -3.103 3.811 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.537 -4.619 4.665 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.773 -4.268 4.917 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.149 -3.523 3.345 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.728 -2.767 4.849 1.00 0.00 H new ATOM 673 N GLU A 42 -7.577 -5.299 2.475 1.00 0.00 N ATOM 674 CA GLU A 42 -8.672 -6.227 2.744 1.00 0.00 C ATOM 675 C GLU A 42 -8.822 -7.215 1.600 1.00 0.00 C ATOM 676 O GLU A 42 -9.183 -8.373 1.810 1.00 0.00 O ATOM 677 CB GLU A 42 -9.981 -5.464 2.977 1.00 0.00 C ATOM 678 CG GLU A 42 -10.534 -4.781 1.735 1.00 0.00 C ATOM 679 CD GLU A 42 -12.048 -4.704 1.740 1.00 0.00 C ATOM 680 OE1 GLU A 42 -12.615 -4.215 2.740 1.00 0.00 O ATOM 681 OE2 GLU A 42 -12.668 -5.131 0.743 1.00 0.00 O ATOM 0 H GLU A 42 -7.872 -4.346 2.260 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.438 -6.785 3.651 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.729 -6.158 3.360 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.818 -4.712 3.749 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.123 -3.774 1.664 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.204 -5.323 0.849 1.00 0.00 H new ATOM 688 N ASP A 43 -8.520 -6.763 0.392 1.00 0.00 N ATOM 689 CA ASP A 43 -8.600 -7.624 -0.772 1.00 0.00 C ATOM 690 C ASP A 43 -7.372 -8.516 -0.833 1.00 0.00 C ATOM 691 O ASP A 43 -7.423 -9.618 -1.363 1.00 0.00 O ATOM 692 CB ASP A 43 -8.726 -6.798 -2.053 1.00 0.00 C ATOM 693 CG ASP A 43 -10.163 -6.675 -2.523 1.00 0.00 C ATOM 694 OD1 ASP A 43 -10.900 -5.835 -1.966 1.00 0.00 O ATOM 695 OD2 ASP A 43 -10.550 -7.419 -3.448 1.00 0.00 O ATOM 0 H ASP A 43 -8.219 -5.809 0.195 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.490 -8.247 -0.687 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.316 -5.803 -1.882 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.128 -7.258 -2.839 1.00 0.00 H new ATOM 700 N ILE A 44 -6.271 -8.040 -0.262 1.00 0.00 N ATOM 701 CA ILE A 44 -5.042 -8.813 -0.227 1.00 0.00 C ATOM 702 C ILE A 44 -5.031 -9.726 0.996 1.00 0.00 C ATOM 703 O ILE A 44 -4.385 -10.772 0.997 1.00 0.00 O ATOM 704 CB ILE A 44 -3.798 -7.903 -0.206 1.00 0.00 C ATOM 705 CG1 ILE A 44 -3.894 -6.855 -1.315 1.00 0.00 C ATOM 706 CG2 ILE A 44 -2.531 -8.728 -0.365 1.00 0.00 C ATOM 707 CD1 ILE A 44 -2.671 -5.972 -1.424 1.00 0.00 C ATOM 0 H ILE A 44 -6.208 -7.124 0.181 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.005 -9.415 -1.135 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.756 -7.393 0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.053 -7.360 -2.268 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.768 -6.229 -1.137 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.663 -8.069 -0.348 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.459 -9.445 0.453 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.562 -9.263 -1.314 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.812 -5.254 -2.232 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.523 -5.438 -0.485 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.796 -6.587 -1.634 1.00 0.00 H new ATOM 719 N HIS A 45 -5.764 -9.318 2.035 1.00 0.00 N ATOM 720 CA HIS A 45 -5.856 -10.093 3.268 1.00 0.00 C ATOM 721 C HIS A 45 -6.805 -11.262 3.101 1.00 0.00 C ATOM 722 O HIS A 45 -6.420 -12.417 3.282 1.00 0.00 O ATOM 723 CB HIS A 45 -6.320 -9.209 4.422 1.00 0.00 C ATOM 724 CG HIS A 45 -5.231 -8.342 4.946 1.00 0.00 C ATOM 725 ND1 HIS A 45 -5.254 -7.756 6.193 1.00 0.00 N ATOM 726 CD2 HIS A 45 -4.069 -7.974 4.373 1.00 0.00 C ATOM 727 CE1 HIS A 45 -4.144 -7.062 6.365 1.00 0.00 C ATOM 728 NE2 HIS A 45 -3.405 -7.177 5.276 1.00 0.00 N ATOM 0 H HIS A 45 -6.303 -8.452 2.043 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.863 -10.481 3.496 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -7.148 -8.585 4.087 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.700 -9.838 5.228 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -6.008 -7.844 6.874 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.723 -8.253 3.389 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -3.884 -6.496 7.247 1.00 0.00 H new ATOM 737 N ASP A 46 -8.047 -10.966 2.736 1.00 0.00 N ATOM 738 CA ASP A 46 -9.030 -12.015 2.529 1.00 0.00 C ATOM 739 C ASP A 46 -8.561 -12.928 1.412 1.00 0.00 C ATOM 740 O ASP A 46 -8.921 -14.104 1.359 1.00 0.00 O ATOM 741 CB ASP A 46 -10.397 -11.417 2.191 1.00 0.00 C ATOM 742 CG ASP A 46 -11.284 -11.277 3.412 1.00 0.00 C ATOM 743 OD1 ASP A 46 -11.882 -12.290 3.831 1.00 0.00 O ATOM 744 OD2 ASP A 46 -11.381 -10.153 3.950 1.00 0.00 O ATOM 0 H ASP A 46 -8.392 -10.019 2.580 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.134 -12.592 3.448 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.259 -10.438 1.731 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.894 -12.048 1.454 1.00 0.00 H new ATOM 749 N PHE A 47 -7.736 -12.379 0.524 1.00 0.00 N ATOM 750 CA PHE A 47 -7.200 -13.158 -0.585 1.00 0.00 C ATOM 751 C PHE A 47 -5.898 -13.843 -0.182 1.00 0.00 C ATOM 752 O PHE A 47 -5.557 -14.905 -0.702 1.00 0.00 O ATOM 753 CB PHE A 47 -6.993 -12.284 -1.821 1.00 0.00 C ATOM 754 CG PHE A 47 -8.283 -11.901 -2.500 1.00 0.00 C ATOM 755 CD1 PHE A 47 -9.344 -11.384 -1.770 1.00 0.00 C ATOM 756 CD2 PHE A 47 -8.437 -12.061 -3.869 1.00 0.00 C ATOM 757 CE1 PHE A 47 -10.528 -11.034 -2.391 1.00 0.00 C ATOM 758 CE2 PHE A 47 -9.619 -11.711 -4.495 1.00 0.00 C ATOM 759 CZ PHE A 47 -10.666 -11.198 -3.755 1.00 0.00 C ATOM 0 H PHE A 47 -7.427 -11.407 0.551 1.00 0.00 H new ATOM 0 HA PHE A 47 -7.928 -13.929 -0.838 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.459 -11.379 -1.533 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.360 -12.815 -2.532 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.243 -11.253 -0.703 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.623 -12.464 -4.454 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.345 -10.632 -1.810 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.723 -11.839 -5.562 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.591 -10.926 -4.242 1.00 0.00 H new ATOM 769 N MET A 48 -5.180 -13.233 0.761 1.00 0.00 N ATOM 770 CA MET A 48 -3.920 -13.788 1.250 1.00 0.00 C ATOM 771 C MET A 48 -4.088 -15.260 1.615 1.00 0.00 C ATOM 772 O MET A 48 -3.141 -16.043 1.546 1.00 0.00 O ATOM 773 CB MET A 48 -3.434 -13.004 2.472 1.00 0.00 C ATOM 774 CG MET A 48 -2.027 -12.453 2.321 1.00 0.00 C ATOM 775 SD MET A 48 -1.561 -11.357 3.675 1.00 0.00 S ATOM 776 CE MET A 48 -0.608 -10.122 2.796 1.00 0.00 C ATOM 0 H MET A 48 -5.451 -12.354 1.201 1.00 0.00 H new ATOM 0 HA MET A 48 -3.179 -13.706 0.455 1.00 0.00 H new ATOM 0 HB2 MET A 48 -4.120 -12.178 2.660 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.469 -13.653 3.347 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.320 -13.281 2.270 1.00 0.00 H new ATOM 0 HG3 MET A 48 -1.952 -11.911 1.378 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.047 -9.519 3.510 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.085 -10.615 2.114 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.281 -9.479 2.228 1.00 0.00 H new ATOM 786 N GLN A 49 -5.305 -15.624 2.006 1.00 0.00 N ATOM 787 CA GLN A 49 -5.610 -16.996 2.387 1.00 0.00 C ATOM 788 C GLN A 49 -5.809 -17.875 1.157 1.00 0.00 C ATOM 789 O GLN A 49 -5.540 -19.076 1.191 1.00 0.00 O ATOM 790 CB GLN A 49 -6.860 -17.029 3.272 1.00 0.00 C ATOM 791 CG GLN A 49 -6.570 -17.390 4.720 1.00 0.00 C ATOM 792 CD GLN A 49 -7.636 -18.283 5.324 1.00 0.00 C ATOM 793 OE1 GLN A 49 -8.222 -19.121 4.637 1.00 0.00 O ATOM 794 NE2 GLN A 49 -7.893 -18.108 6.615 1.00 0.00 N ATOM 0 H GLN A 49 -6.097 -14.985 2.067 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.764 -17.391 2.950 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.344 -16.053 3.239 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.567 -17.749 2.861 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.605 -17.893 4.779 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.490 -16.476 5.309 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.383 -17.402 7.145 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.600 -18.680 7.076 1.00 0.00 H new ATOM 803 N GLY A 50 -6.280 -17.272 0.071 1.00 0.00 N ATOM 804 CA GLY A 50 -6.502 -18.019 -1.152 1.00 0.00 C ATOM 805 C GLY A 50 -7.883 -17.794 -1.739 1.00 0.00 C ATOM 806 O GLY A 50 -8.177 -18.265 -2.838 1.00 0.00 O ATOM 0 H GLY A 50 -6.512 -16.280 0.016 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.749 -17.734 -1.887 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.366 -19.082 -0.952 1.00 0.00 H new ATOM 810 N GLY A 51 -8.736 -17.070 -1.014 1.00 0.00 N ATOM 811 CA GLY A 51 -10.079 -16.799 -1.500 1.00 0.00 C ATOM 812 C GLY A 51 -10.079 -16.302 -2.933 1.00 0.00 C ATOM 813 O GLY A 51 -11.029 -16.534 -3.681 1.00 0.00 O ATOM 0 H GLY A 51 -8.521 -16.668 -0.102 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.679 -17.707 -1.432 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.553 -16.055 -0.859 1.00 0.00 H new ATOM 817 N GLY A 52 -9.002 -15.623 -3.312 1.00 0.00 N ATOM 818 CA GLY A 52 -8.883 -15.104 -4.661 1.00 0.00 C ATOM 819 C GLY A 52 -7.439 -14.856 -5.057 1.00 0.00 C ATOM 820 O GLY A 52 -7.162 -14.058 -5.951 1.00 0.00 O ATOM 0 H GLY A 52 -8.206 -15.422 -2.706 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.333 -15.809 -5.360 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.444 -14.173 -4.741 1.00 0.00 H new ATOM 824 N SER A 53 -6.517 -15.546 -4.389 1.00 0.00 N ATOM 825 CA SER A 53 -5.097 -15.401 -4.673 1.00 0.00 C ATOM 826 C SER A 53 -4.800 -15.776 -6.120 1.00 0.00 C ATOM 827 O SER A 53 -5.632 -16.379 -6.799 1.00 0.00 O ATOM 828 CB SER A 53 -4.273 -16.272 -3.720 1.00 0.00 C ATOM 829 OG SER A 53 -4.210 -17.612 -4.178 1.00 0.00 O ATOM 0 H SER A 53 -6.732 -16.212 -3.646 1.00 0.00 H new ATOM 0 HA SER A 53 -4.820 -14.358 -4.522 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.265 -15.867 -3.632 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.715 -16.245 -2.724 1.00 0.00 H new ATOM 0 HG SER A 53 -3.677 -18.147 -3.553 1.00 0.00 H new ATOM 835 N GLY A 54 -3.615 -15.409 -6.590 1.00 0.00 N ATOM 836 CA GLY A 54 -3.239 -15.711 -7.959 1.00 0.00 C ATOM 837 C GLY A 54 -4.088 -14.956 -8.960 1.00 0.00 C ATOM 838 O GLY A 54 -4.648 -15.546 -9.883 1.00 0.00 O ATOM 0 H GLY A 54 -2.909 -14.909 -6.050 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.189 -15.459 -8.111 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.338 -16.782 -8.134 1.00 0.00 H new ATOM 842 N GLY A 55 -4.184 -13.645 -8.770 1.00 0.00 N ATOM 843 CA GLY A 55 -4.973 -12.818 -9.663 1.00 0.00 C ATOM 844 C GLY A 55 -5.330 -11.479 -9.047 1.00 0.00 C ATOM 845 O GLY A 55 -5.590 -10.512 -9.761 1.00 0.00 O ATOM 0 H GLY A 55 -3.728 -13.139 -8.011 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.418 -12.653 -10.587 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.888 -13.347 -9.931 1.00 0.00 H new ATOM 849 N LYS A 56 -5.343 -11.421 -7.719 1.00 0.00 N ATOM 850 CA LYS A 56 -5.669 -10.185 -7.016 1.00 0.00 C ATOM 851 C LYS A 56 -4.443 -9.292 -6.878 1.00 0.00 C ATOM 852 O LYS A 56 -4.524 -8.082 -7.072 1.00 0.00 O ATOM 853 CB LYS A 56 -6.243 -10.492 -5.631 1.00 0.00 C ATOM 854 CG LYS A 56 -5.314 -11.315 -4.749 1.00 0.00 C ATOM 855 CD LYS A 56 -4.565 -10.445 -3.752 1.00 0.00 C ATOM 856 CE LYS A 56 -3.792 -11.291 -2.750 1.00 0.00 C ATOM 857 NZ LYS A 56 -2.323 -11.069 -2.849 1.00 0.00 N ATOM 0 H LYS A 56 -5.133 -12.212 -7.110 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.418 -9.656 -7.605 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.471 -9.553 -5.126 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.185 -11.027 -5.749 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.893 -12.066 -4.212 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.599 -11.850 -5.374 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.877 -9.789 -4.284 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.271 -9.805 -3.223 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.127 -11.054 -1.740 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.012 -12.345 -2.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.903 -11.099 -1.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.898 -11.813 -3.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.141 -10.140 -3.279 1.00 0.00 H new ATOM 871 N LEU A 57 -3.310 -9.890 -6.533 1.00 0.00 N ATOM 872 CA LEU A 57 -2.080 -9.132 -6.357 1.00 0.00 C ATOM 873 C LEU A 57 -1.596 -8.507 -7.663 1.00 0.00 C ATOM 874 O LEU A 57 -0.679 -7.697 -7.652 1.00 0.00 O ATOM 875 CB LEU A 57 -0.982 -10.016 -5.770 1.00 0.00 C ATOM 876 CG LEU A 57 0.168 -9.261 -5.103 1.00 0.00 C ATOM 877 CD1 LEU A 57 -0.320 -8.526 -3.863 1.00 0.00 C ATOM 878 CD2 LEU A 57 1.295 -10.217 -4.749 1.00 0.00 C ATOM 0 H LEU A 57 -3.218 -10.893 -6.370 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.304 -8.322 -5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.430 -10.687 -5.037 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.574 -10.640 -6.566 1.00 0.00 H new ATOM 0 HG LEU A 57 0.550 -8.523 -5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.514 -7.995 -3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.094 -7.812 -4.144 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.729 -9.244 -3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.106 -9.664 -4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.924 -10.978 -4.062 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.664 -10.696 -5.656 1.00 0.00 H new ATOM 890 N GLN A 58 -2.201 -8.873 -8.787 1.00 0.00 N ATOM 891 CA GLN A 58 -1.786 -8.303 -10.062 1.00 0.00 C ATOM 892 C GLN A 58 -2.513 -6.989 -10.330 1.00 0.00 C ATOM 893 O GLN A 58 -1.886 -5.977 -10.644 1.00 0.00 O ATOM 894 CB GLN A 58 -2.008 -9.290 -11.214 1.00 0.00 C ATOM 895 CG GLN A 58 -3.382 -9.936 -11.223 1.00 0.00 C ATOM 896 CD GLN A 58 -3.648 -10.716 -12.497 1.00 0.00 C ATOM 897 OE1 GLN A 58 -3.568 -11.944 -12.515 1.00 0.00 O ATOM 898 NE2 GLN A 58 -3.964 -10.003 -13.572 1.00 0.00 N ATOM 0 H GLN A 58 -2.964 -9.547 -8.842 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.717 -8.098 -10.001 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.858 -8.768 -12.159 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.251 -10.072 -11.158 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.472 -10.604 -10.366 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.143 -9.165 -11.107 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.019 -8.986 -13.512 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.152 -10.472 -14.458 1.00 0.00 H new ATOM 907 N GLU A 59 -3.833 -7.007 -10.197 1.00 0.00 N ATOM 908 CA GLU A 59 -4.635 -5.812 -10.416 1.00 0.00 C ATOM 909 C GLU A 59 -4.741 -4.996 -9.135 1.00 0.00 C ATOM 910 O GLU A 59 -4.834 -3.769 -9.173 1.00 0.00 O ATOM 911 CB GLU A 59 -6.031 -6.190 -10.915 1.00 0.00 C ATOM 912 CG GLU A 59 -6.065 -6.584 -12.383 1.00 0.00 C ATOM 913 CD GLU A 59 -7.227 -7.501 -12.713 1.00 0.00 C ATOM 914 OE1 GLU A 59 -8.369 -7.004 -12.806 1.00 0.00 O ATOM 915 OE2 GLU A 59 -6.993 -8.717 -12.878 1.00 0.00 O ATOM 0 H GLU A 59 -4.370 -7.835 -9.939 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.143 -5.205 -11.176 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.410 -7.018 -10.316 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.705 -5.348 -10.757 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.131 -5.685 -12.995 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.130 -7.080 -12.644 1.00 0.00 H new ATOM 922 N MET A 60 -4.728 -5.687 -8.000 1.00 0.00 N ATOM 923 CA MET A 60 -4.824 -5.024 -6.708 1.00 0.00 C ATOM 924 C MET A 60 -3.488 -4.410 -6.306 1.00 0.00 C ATOM 925 O MET A 60 -3.453 -3.418 -5.578 1.00 0.00 O ATOM 926 CB MET A 60 -5.297 -6.004 -5.632 1.00 0.00 C ATOM 927 CG MET A 60 -6.045 -5.337 -4.489 1.00 0.00 C ATOM 928 SD MET A 60 -7.831 -5.341 -4.731 1.00 0.00 S ATOM 929 CE MET A 60 -7.996 -4.144 -6.053 1.00 0.00 C ATOM 0 H MET A 60 -4.652 -6.703 -7.950 1.00 0.00 H new ATOM 0 HA MET A 60 -5.557 -4.222 -6.799 1.00 0.00 H new ATOM 0 HB2 MET A 60 -5.944 -6.751 -6.092 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.434 -6.534 -5.230 1.00 0.00 H new ATOM 0 HG2 MET A 60 -5.808 -5.849 -3.557 1.00 0.00 H new ATOM 0 HG3 MET A 60 -5.699 -4.309 -4.385 1.00 0.00 H new ATOM 0 HE1 MET A 60 -9.024 -3.783 -6.091 1.00 0.00 H new ATOM 0 HE2 MET A 60 -7.323 -3.306 -5.871 1.00 0.00 H new ATOM 0 HE3 MET A 60 -7.741 -4.614 -7.003 1.00 0.00 H new ATOM 939 N MET A 61 -2.384 -4.991 -6.783 1.00 0.00 N ATOM 940 CA MET A 61 -1.064 -4.458 -6.450 1.00 0.00 C ATOM 941 C MET A 61 -0.949 -3.012 -6.922 1.00 0.00 C ATOM 942 O MET A 61 -0.409 -2.158 -6.218 1.00 0.00 O ATOM 943 CB MET A 61 0.046 -5.308 -7.076 1.00 0.00 C ATOM 944 CG MET A 61 1.408 -4.624 -7.129 1.00 0.00 C ATOM 945 SD MET A 61 1.933 -4.239 -8.810 1.00 0.00 S ATOM 946 CE MET A 61 3.658 -3.841 -8.544 1.00 0.00 C ATOM 0 H MET A 61 -2.377 -5.812 -7.388 1.00 0.00 H new ATOM 0 HA MET A 61 -0.946 -4.491 -5.367 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.140 -6.235 -6.510 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.250 -5.581 -8.089 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.370 -3.704 -6.546 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.151 -5.269 -6.660 1.00 0.00 H new ATOM 0 HE1 MET A 61 4.030 -3.254 -9.384 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.761 -3.264 -7.625 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.235 -4.762 -8.461 1.00 0.00 H new ATOM 956 N LYS A 62 -1.464 -2.745 -8.118 1.00 0.00 N ATOM 957 CA LYS A 62 -1.424 -1.403 -8.682 1.00 0.00 C ATOM 958 C LYS A 62 -2.380 -0.469 -7.945 1.00 0.00 C ATOM 959 O LYS A 62 -2.289 0.751 -8.074 1.00 0.00 O ATOM 960 CB LYS A 62 -1.779 -1.444 -10.171 1.00 0.00 C ATOM 961 CG LYS A 62 -1.570 -0.117 -10.881 1.00 0.00 C ATOM 962 CD LYS A 62 -2.003 -0.191 -12.337 1.00 0.00 C ATOM 963 CE LYS A 62 -2.591 1.129 -12.812 1.00 0.00 C ATOM 964 NZ LYS A 62 -4.022 1.269 -12.428 1.00 0.00 N ATOM 0 H LYS A 62 -1.913 -3.440 -8.714 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.411 -1.018 -8.565 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.174 -2.208 -10.660 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.821 -1.745 -10.280 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.136 0.663 -10.371 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.518 0.165 -10.827 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.147 -0.454 -12.959 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.741 -0.984 -12.458 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.019 1.955 -12.388 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.497 1.199 -13.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.386 2.181 -12.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.573 0.496 -12.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.109 1.228 -11.392 1.00 0.00 H new ATOM 978 N GLU A 63 -3.299 -1.048 -7.174 1.00 0.00 N ATOM 979 CA GLU A 63 -4.270 -0.259 -6.424 1.00 0.00 C ATOM 980 C GLU A 63 -3.665 0.279 -5.129 1.00 0.00 C ATOM 981 O GLU A 63 -4.104 1.309 -4.615 1.00 0.00 O ATOM 982 CB GLU A 63 -5.513 -1.095 -6.116 1.00 0.00 C ATOM 983 CG GLU A 63 -6.686 -0.271 -5.609 1.00 0.00 C ATOM 984 CD GLU A 63 -7.949 -0.490 -6.420 1.00 0.00 C ATOM 985 OE1 GLU A 63 -8.081 0.135 -7.493 1.00 0.00 O ATOM 986 OE2 GLU A 63 -8.804 -1.288 -5.982 1.00 0.00 O ATOM 0 H GLU A 63 -3.390 -2.057 -7.054 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.558 0.591 -7.043 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.816 -1.628 -7.017 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.259 -1.849 -5.371 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.880 -0.525 -4.567 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.421 0.786 -5.636 1.00 0.00 H new ATOM 993 N PHE A 64 -2.653 -0.411 -4.605 1.00 0.00 N ATOM 994 CA PHE A 64 -2.001 0.023 -3.378 1.00 0.00 C ATOM 995 C PHE A 64 -0.889 1.015 -3.700 1.00 0.00 C ATOM 996 O PHE A 64 -0.629 1.946 -2.938 1.00 0.00 O ATOM 997 CB PHE A 64 -1.461 -1.189 -2.588 1.00 0.00 C ATOM 998 CG PHE A 64 -0.163 -1.752 -3.105 1.00 0.00 C ATOM 999 CD1 PHE A 64 1.010 -1.013 -3.055 1.00 0.00 C ATOM 1000 CD2 PHE A 64 -0.124 -3.027 -3.642 1.00 0.00 C ATOM 1001 CE1 PHE A 64 2.194 -1.538 -3.533 1.00 0.00 C ATOM 1002 CE2 PHE A 64 1.058 -3.554 -4.124 1.00 0.00 C ATOM 1003 CZ PHE A 64 2.216 -2.809 -4.070 1.00 0.00 C ATOM 0 H PHE A 64 -2.272 -1.266 -5.010 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.735 0.525 -2.747 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.324 -0.895 -1.547 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.213 -1.978 -2.600 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.997 -0.017 -2.638 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.028 -3.616 -3.685 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.102 -0.955 -3.487 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.075 -4.549 -4.543 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.141 -3.220 -4.448 1.00 0.00 H new ATOM 1013 N GLN A 65 -0.244 0.808 -4.843 1.00 0.00 N ATOM 1014 CA GLN A 65 0.837 1.681 -5.285 1.00 0.00 C ATOM 1015 C GLN A 65 0.280 2.963 -5.897 1.00 0.00 C ATOM 1016 O GLN A 65 0.858 4.039 -5.737 1.00 0.00 O ATOM 1017 CB GLN A 65 1.722 0.957 -6.300 1.00 0.00 C ATOM 1018 CG GLN A 65 3.136 1.508 -6.378 1.00 0.00 C ATOM 1019 CD GLN A 65 3.806 1.208 -7.704 1.00 0.00 C ATOM 1020 OE1 GLN A 65 3.493 1.821 -8.725 1.00 0.00 O ATOM 1021 NE2 GLN A 65 4.736 0.259 -7.696 1.00 0.00 N ATOM 0 H GLN A 65 -0.452 0.041 -5.482 1.00 0.00 H new ATOM 0 HA GLN A 65 1.439 1.946 -4.416 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.767 -0.101 -6.041 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.260 1.024 -7.285 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.111 2.587 -6.224 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.732 1.084 -5.570 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.964 -0.224 -6.827 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.222 0.014 -8.559 1.00 0.00 H new ATOM 1030 N GLN A 66 -0.850 2.845 -6.594 1.00 0.00 N ATOM 1031 CA GLN A 66 -1.484 4.001 -7.223 1.00 0.00 C ATOM 1032 C GLN A 66 -1.718 5.104 -6.198 1.00 0.00 C ATOM 1033 O GLN A 66 -1.633 6.291 -6.514 1.00 0.00 O ATOM 1034 CB GLN A 66 -2.809 3.598 -7.874 1.00 0.00 C ATOM 1035 CG GLN A 66 -3.541 4.756 -8.534 1.00 0.00 C ATOM 1036 CD GLN A 66 -2.728 5.404 -9.638 1.00 0.00 C ATOM 1037 OE1 GLN A 66 -1.810 4.797 -10.187 1.00 0.00 O ATOM 1038 NE2 GLN A 66 -3.065 6.645 -9.969 1.00 0.00 N ATOM 0 H GLN A 66 -1.343 1.963 -6.736 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.816 4.379 -7.997 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.618 2.827 -8.621 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.456 3.155 -7.117 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.485 4.398 -8.945 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.785 5.504 -7.780 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.834 7.111 -9.487 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.555 7.133 -10.705 1.00 0.00 H new ATOM 1047 N VAL A 67 -1.997 4.700 -4.963 1.00 0.00 N ATOM 1048 CA VAL A 67 -2.228 5.643 -3.878 1.00 0.00 C ATOM 1049 C VAL A 67 -1.001 6.526 -3.677 1.00 0.00 C ATOM 1050 O VAL A 67 -1.115 7.731 -3.449 1.00 0.00 O ATOM 1051 CB VAL A 67 -2.558 4.884 -2.574 1.00 0.00 C ATOM 1052 CG1 VAL A 67 -2.657 5.825 -1.380 1.00 0.00 C ATOM 1053 CG2 VAL A 67 -3.844 4.090 -2.748 1.00 0.00 C ATOM 0 H VAL A 67 -2.069 3.720 -4.689 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.076 6.276 -4.139 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.740 4.194 -2.368 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.890 5.251 -0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.707 6.341 -1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.445 6.557 -1.558 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.070 3.557 -1.824 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.662 4.770 -2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.722 3.373 -3.560 1.00 0.00 H new ATOM 1063 N LEU A 68 0.172 5.917 -3.792 1.00 0.00 N ATOM 1064 CA LEU A 68 1.430 6.638 -3.654 1.00 0.00 C ATOM 1065 C LEU A 68 1.719 7.453 -4.917 1.00 0.00 C ATOM 1066 O LEU A 68 2.669 8.232 -4.958 1.00 0.00 O ATOM 1067 CB LEU A 68 2.555 5.653 -3.374 1.00 0.00 C ATOM 1068 CG LEU A 68 2.883 5.495 -1.890 1.00 0.00 C ATOM 1069 CD1 LEU A 68 2.180 4.275 -1.304 1.00 0.00 C ATOM 1070 CD2 LEU A 68 4.391 5.402 -1.694 1.00 0.00 C ATOM 0 H LEU A 68 0.278 4.920 -3.981 1.00 0.00 H new ATOM 0 HA LEU A 68 1.356 7.332 -2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.283 4.680 -3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.451 5.980 -3.902 1.00 0.00 H new ATOM 0 HG LEU A 68 2.518 6.374 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.429 4.184 -0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.102 4.389 -1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.506 3.379 -1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.614 5.290 -0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.776 4.540 -2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.863 6.310 -2.070 1.00 0.00 H new ATOM 1082 N ASP A 69 0.876 7.285 -5.940 1.00 0.00 N ATOM 1083 CA ASP A 69 1.023 8.025 -7.188 1.00 0.00 C ATOM 1084 C ASP A 69 0.546 9.456 -6.980 1.00 0.00 C ATOM 1085 O ASP A 69 1.304 10.408 -7.166 1.00 0.00 O ATOM 1086 CB ASP A 69 0.220 7.357 -8.308 1.00 0.00 C ATOM 1087 CG ASP A 69 0.897 7.485 -9.658 1.00 0.00 C ATOM 1088 OD1 ASP A 69 1.223 8.623 -10.055 1.00 0.00 O ATOM 1089 OD2 ASP A 69 1.102 6.445 -10.320 1.00 0.00 O ATOM 0 H ASP A 69 0.085 6.641 -5.924 1.00 0.00 H new ATOM 0 HA ASP A 69 2.073 8.029 -7.480 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.081 6.302 -8.073 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.772 7.806 -8.358 1.00 0.00 H new ATOM 1094 N GLU A 70 -0.707 9.595 -6.545 1.00 0.00 N ATOM 1095 CA GLU A 70 -1.275 10.910 -6.254 1.00 0.00 C ATOM 1096 C GLU A 70 -0.356 11.633 -5.287 1.00 0.00 C ATOM 1097 O GLU A 70 -0.146 12.843 -5.364 1.00 0.00 O ATOM 1098 CB GLU A 70 -2.653 10.751 -5.600 1.00 0.00 C ATOM 1099 CG GLU A 70 -3.592 11.915 -5.846 1.00 0.00 C ATOM 1100 CD GLU A 70 -4.381 11.770 -7.133 1.00 0.00 C ATOM 1101 OE1 GLU A 70 -3.793 11.324 -8.141 1.00 0.00 O ATOM 1102 OE2 GLU A 70 -5.585 12.099 -7.133 1.00 0.00 O ATOM 0 H GLU A 70 -1.345 8.815 -6.387 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.378 11.475 -7.181 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.117 9.838 -5.973 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.521 10.625 -4.525 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.284 12.001 -5.008 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.016 12.840 -5.880 1.00 0.00 H new ATOM 1109 N LEU A 71 0.171 10.840 -4.370 1.00 0.00 N ATOM 1110 CA LEU A 71 1.067 11.297 -3.330 1.00 0.00 C ATOM 1111 C LEU A 71 2.449 11.644 -3.882 1.00 0.00 C ATOM 1112 O LEU A 71 2.854 12.806 -3.876 1.00 0.00 O ATOM 1113 CB LEU A 71 1.150 10.182 -2.295 1.00 0.00 C ATOM 1114 CG LEU A 71 2.326 10.232 -1.330 1.00 0.00 C ATOM 1115 CD1 LEU A 71 1.861 10.684 0.041 1.00 0.00 C ATOM 1116 CD2 LEU A 71 2.972 8.863 -1.247 1.00 0.00 C ATOM 0 H LEU A 71 -0.019 9.839 -4.330 1.00 0.00 H new ATOM 0 HA LEU A 71 0.687 12.215 -2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.230 10.191 -1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.183 9.229 -2.823 1.00 0.00 H new ATOM 0 HG LEU A 71 3.061 10.950 -1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.712 10.715 0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.419 11.678 -0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.117 9.984 0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.814 8.899 -0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.241 8.137 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.326 8.567 -2.235 1.00 0.00 H new ATOM 1128 N ASN A 72 3.172 10.630 -4.345 1.00 0.00 N ATOM 1129 CA ASN A 72 4.513 10.827 -4.890 1.00 0.00 C ATOM 1130 C ASN A 72 4.532 11.930 -5.944 1.00 0.00 C ATOM 1131 O ASN A 72 5.560 12.568 -6.167 1.00 0.00 O ATOM 1132 CB ASN A 72 5.038 9.522 -5.493 1.00 0.00 C ATOM 1133 CG ASN A 72 6.517 9.590 -5.818 1.00 0.00 C ATOM 1134 OD1 ASN A 72 7.304 10.159 -5.063 1.00 0.00 O ATOM 1135 ND2 ASN A 72 6.901 9.008 -6.948 1.00 0.00 N ATOM 0 H ASN A 72 2.852 9.661 -4.354 1.00 0.00 H new ATOM 0 HA ASN A 72 5.162 11.132 -4.069 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.859 8.704 -4.795 1.00 0.00 H new ATOM 0 HB3 ASN A 72 4.479 9.294 -6.401 1.00 0.00 H new ATOM 0 HD21 ASN A 72 7.884 9.021 -7.220 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.213 8.547 -7.544 1.00 0.00 H new ATOM 1142 N ASN A 73 3.391 12.152 -6.586 1.00 0.00 N ATOM 1143 CA ASN A 73 3.285 13.181 -7.613 1.00 0.00 C ATOM 1144 C ASN A 73 2.917 14.536 -7.008 1.00 0.00 C ATOM 1145 O ASN A 73 2.613 15.482 -7.735 1.00 0.00 O ATOM 1146 CB ASN A 73 2.245 12.779 -8.660 1.00 0.00 C ATOM 1147 CG ASN A 73 2.490 13.440 -10.002 1.00 0.00 C ATOM 1148 OD1 ASN A 73 3.217 14.430 -10.097 1.00 0.00 O ATOM 1149 ND2 ASN A 73 1.883 12.895 -11.050 1.00 0.00 N ATOM 0 H ASN A 73 2.529 11.635 -6.414 1.00 0.00 H new ATOM 0 HA ASN A 73 4.260 13.276 -8.091 1.00 0.00 H new ATOM 0 HB2 ASN A 73 2.258 11.696 -8.784 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.251 13.047 -8.302 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.011 13.296 -11.979 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.289 12.075 -10.926 1.00 0.00 H new ATOM 1156 N HIS A 74 2.941 14.629 -5.679 1.00 0.00 N ATOM 1157 CA HIS A 74 2.603 15.876 -5.001 1.00 0.00 C ATOM 1158 C HIS A 74 3.253 15.966 -3.628 1.00 0.00 C ATOM 1159 O HIS A 74 2.702 16.585 -2.720 1.00 0.00 O ATOM 1160 CB HIS A 74 1.087 16.019 -4.877 1.00 0.00 C ATOM 1161 CG HIS A 74 0.419 16.439 -6.149 1.00 0.00 C ATOM 1162 ND1 HIS A 74 0.496 17.720 -6.652 1.00 0.00 N ATOM 1163 CD2 HIS A 74 -0.340 15.738 -7.024 1.00 0.00 C ATOM 1164 CE1 HIS A 74 -0.188 17.791 -7.780 1.00 0.00 C ATOM 1165 NE2 HIS A 74 -0.704 16.601 -8.029 1.00 0.00 N ATOM 0 H HIS A 74 3.189 13.861 -5.056 1.00 0.00 H new ATOM 0 HA HIS A 74 2.992 16.695 -5.606 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.666 15.067 -4.552 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.862 16.749 -4.100 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.609 14.695 -6.946 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -0.305 18.672 -8.394 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -1.279 16.362 -8.836 1.00 0.00 H new ATOM 1174 N LEU A 75 4.441 15.378 -3.489 1.00 0.00 N ATOM 1175 CA LEU A 75 5.174 15.438 -2.226 1.00 0.00 C ATOM 1176 C LEU A 75 5.294 16.892 -1.792 1.00 0.00 C ATOM 1177 O LEU A 75 6.253 17.577 -2.147 1.00 0.00 O ATOM 1178 CB LEU A 75 6.573 14.843 -2.396 1.00 0.00 C ATOM 1179 CG LEU A 75 6.862 13.578 -1.590 1.00 0.00 C ATOM 1180 CD1 LEU A 75 6.274 13.672 -0.190 1.00 0.00 C ATOM 1181 CD2 LEU A 75 6.329 12.355 -2.314 1.00 0.00 C ATOM 0 H LEU A 75 4.913 14.859 -4.229 1.00 0.00 H new ATOM 0 HA LEU A 75 4.636 14.864 -1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.726 14.621 -3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.305 15.602 -2.120 1.00 0.00 H new ATOM 0 HG LEU A 75 7.943 13.480 -1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.496 12.757 0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.711 14.524 0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.194 13.802 -0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.543 11.462 -1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.252 12.452 -2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.809 12.271 -3.289 1.00 0.00 H new ATOM 1193 N GLN A 76 4.303 17.366 -1.058 1.00 0.00 N ATOM 1194 CA GLN A 76 4.285 18.749 -0.614 1.00 0.00 C ATOM 1195 C GLN A 76 5.392 19.016 0.404 1.00 0.00 C ATOM 1196 O GLN A 76 5.128 19.229 1.587 1.00 0.00 O ATOM 1197 CB GLN A 76 2.917 19.104 -0.020 1.00 0.00 C ATOM 1198 CG GLN A 76 2.173 20.183 -0.796 1.00 0.00 C ATOM 1199 CD GLN A 76 3.054 21.365 -1.156 1.00 0.00 C ATOM 1200 OE1 GLN A 76 4.088 21.598 -0.529 1.00 0.00 O ATOM 1201 NE2 GLN A 76 2.648 22.118 -2.172 1.00 0.00 N ATOM 0 H GLN A 76 3.500 16.814 -0.757 1.00 0.00 H new ATOM 0 HA GLN A 76 4.465 19.382 -1.483 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.302 18.205 0.015 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.053 19.437 1.009 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.764 19.750 -1.709 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.328 20.533 -0.203 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.784 21.888 -2.664 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.200 22.926 -2.460 1.00 0.00 H new ATOM 1210 N GLY A 77 6.633 18.999 -0.067 1.00 0.00 N ATOM 1211 CA GLY A 77 7.763 19.239 0.812 1.00 0.00 C ATOM 1212 C GLY A 77 7.863 18.214 1.925 1.00 0.00 C ATOM 1213 O GLY A 77 8.485 18.468 2.956 1.00 0.00 O ATOM 0 H GLY A 77 6.878 18.823 -1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.683 19.226 0.227 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.676 20.235 1.247 1.00 0.00 H new ATOM 1217 N GLY A 78 7.250 17.052 1.716 1.00 0.00 N ATOM 1218 CA GLY A 78 7.287 16.003 2.718 1.00 0.00 C ATOM 1219 C GLY A 78 7.885 14.717 2.183 1.00 0.00 C ATOM 1220 O GLY A 78 7.410 13.625 2.494 1.00 0.00 O ATOM 0 H GLY A 78 6.729 16.819 0.871 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.869 16.343 3.575 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.276 15.810 3.076 1.00 0.00 H new ATOM 1224 N LYS A 79 8.929 14.849 1.370 1.00 0.00 N ATOM 1225 CA LYS A 79 9.600 13.695 0.778 1.00 0.00 C ATOM 1226 C LYS A 79 9.929 12.640 1.830 1.00 0.00 C ATOM 1227 O LYS A 79 9.789 11.443 1.588 1.00 0.00 O ATOM 1228 CB LYS A 79 10.885 14.139 0.075 1.00 0.00 C ATOM 1229 CG LYS A 79 10.706 14.413 -1.410 1.00 0.00 C ATOM 1230 CD LYS A 79 11.508 13.438 -2.260 1.00 0.00 C ATOM 1231 CE LYS A 79 11.095 11.999 -1.996 1.00 0.00 C ATOM 1232 NZ LYS A 79 11.263 11.143 -3.203 1.00 0.00 N ATOM 0 H LYS A 79 9.331 15.748 1.105 1.00 0.00 H new ATOM 0 HA LYS A 79 8.919 13.251 0.052 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.261 15.041 0.559 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.644 13.368 0.204 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.650 14.339 -1.669 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.019 15.433 -1.633 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.365 13.671 -3.315 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.570 13.557 -2.048 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.691 11.594 -1.178 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.054 11.973 -1.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.971 10.170 -2.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.675 11.514 -3.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.261 11.147 -3.495 1.00 0.00 H new ATOM 1246 N HIS A 80 10.373 13.095 2.993 1.00 0.00 N ATOM 1247 CA HIS A 80 10.737 12.193 4.082 1.00 0.00 C ATOM 1248 C HIS A 80 9.588 11.257 4.443 1.00 0.00 C ATOM 1249 O HIS A 80 9.812 10.104 4.811 1.00 0.00 O ATOM 1250 CB HIS A 80 11.170 12.991 5.314 1.00 0.00 C ATOM 1251 CG HIS A 80 12.654 13.149 5.433 1.00 0.00 C ATOM 1252 ND1 HIS A 80 13.249 14.021 6.321 1.00 0.00 N ATOM 1253 CD2 HIS A 80 13.668 12.542 4.772 1.00 0.00 C ATOM 1254 CE1 HIS A 80 14.562 13.942 6.201 1.00 0.00 C ATOM 1255 NE2 HIS A 80 14.841 13.052 5.268 1.00 0.00 N ATOM 0 H HIS A 80 10.491 14.085 3.209 1.00 0.00 H new ATOM 0 HA HIS A 80 11.572 11.583 3.739 1.00 0.00 H new ATOM 0 HB2 HIS A 80 10.709 13.978 5.278 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.793 12.496 6.209 1.00 0.00 H new ATOM 0 HD2 HIS A 80 13.571 11.795 3.998 1.00 0.00 H new ATOM 0 HE1 HIS A 80 15.284 14.509 6.770 1.00 0.00 H new ATOM 0 HE2 HIS A 80 15.778 12.786 4.964 1.00 0.00 H new ATOM 1264 N THR A 81 8.362 11.749 4.326 1.00 0.00 N ATOM 1265 CA THR A 81 7.195 10.938 4.631 1.00 0.00 C ATOM 1266 C THR A 81 7.069 9.825 3.610 1.00 0.00 C ATOM 1267 O THR A 81 7.370 8.669 3.896 1.00 0.00 O ATOM 1268 CB THR A 81 5.934 11.809 4.645 1.00 0.00 C ATOM 1269 OG1 THR A 81 5.767 12.419 5.912 1.00 0.00 O ATOM 1270 CG2 THR A 81 4.654 11.057 4.328 1.00 0.00 C ATOM 0 H THR A 81 8.152 12.700 4.024 1.00 0.00 H new ATOM 0 HA THR A 81 7.312 10.495 5.620 1.00 0.00 H new ATOM 0 HB THR A 81 6.095 12.545 3.858 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.104 11.918 6.431 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.810 11.746 4.359 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.727 10.617 3.333 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.504 10.267 5.064 1.00 0.00 H new ATOM 1278 N VAL A 82 6.638 10.195 2.413 1.00 0.00 N ATOM 1279 CA VAL A 82 6.477 9.239 1.328 1.00 0.00 C ATOM 1280 C VAL A 82 7.735 8.412 1.138 1.00 0.00 C ATOM 1281 O VAL A 82 7.652 7.212 0.921 1.00 0.00 O ATOM 1282 CB VAL A 82 6.141 9.939 0.005 1.00 0.00 C ATOM 1283 CG1 VAL A 82 5.855 8.917 -1.088 1.00 0.00 C ATOM 1284 CG2 VAL A 82 4.964 10.877 0.194 1.00 0.00 C ATOM 0 H VAL A 82 6.393 11.154 2.168 1.00 0.00 H new ATOM 0 HA VAL A 82 5.649 8.586 1.606 1.00 0.00 H new ATOM 0 HB VAL A 82 7.003 10.528 -0.307 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.619 9.435 -2.018 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.732 8.287 -1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.009 8.296 -0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.735 11.368 -0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.096 10.309 0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.215 11.629 0.942 1.00 0.00 H new ATOM 1294 N HIS A 83 8.903 9.044 1.234 1.00 0.00 N ATOM 1295 CA HIS A 83 10.155 8.315 1.076 1.00 0.00 C ATOM 1296 C HIS A 83 10.136 7.078 1.963 1.00 0.00 C ATOM 1297 O HIS A 83 10.557 5.996 1.557 1.00 0.00 O ATOM 1298 CB HIS A 83 11.351 9.202 1.427 1.00 0.00 C ATOM 1299 CG HIS A 83 12.676 8.550 1.179 1.00 0.00 C ATOM 1300 ND1 HIS A 83 13.416 7.948 2.173 1.00 0.00 N ATOM 1301 CD2 HIS A 83 13.396 8.412 0.040 1.00 0.00 C ATOM 1302 CE1 HIS A 83 14.535 7.467 1.658 1.00 0.00 C ATOM 1303 NE2 HIS A 83 14.545 7.735 0.365 1.00 0.00 N ATOM 0 H HIS A 83 9.007 10.042 1.417 1.00 0.00 H new ATOM 0 HA HIS A 83 10.257 8.012 0.034 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.294 10.122 0.845 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.286 9.485 2.478 1.00 0.00 H new ATOM 0 HD2 HIS A 83 13.118 8.768 -0.941 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.308 6.945 2.202 1.00 0.00 H new ATOM 0 HE2 HIS A 83 15.287 7.480 -0.287 1.00 0.00 H new ATOM 1312 N HIS A 84 9.615 7.249 3.173 1.00 0.00 N ATOM 1313 CA HIS A 84 9.503 6.152 4.122 1.00 0.00 C ATOM 1314 C HIS A 84 8.338 5.236 3.751 1.00 0.00 C ATOM 1315 O HIS A 84 8.354 4.044 4.057 1.00 0.00 O ATOM 1316 CB HIS A 84 9.320 6.691 5.542 1.00 0.00 C ATOM 1317 CG HIS A 84 10.182 6.006 6.556 1.00 0.00 C ATOM 1318 ND1 HIS A 84 11.477 6.396 6.830 1.00 0.00 N ATOM 1319 CD2 HIS A 84 9.931 4.950 7.367 1.00 0.00 C ATOM 1320 CE1 HIS A 84 11.984 5.610 7.763 1.00 0.00 C ATOM 1321 NE2 HIS A 84 11.065 4.726 8.106 1.00 0.00 N ATOM 0 H HIS A 84 9.263 8.142 3.519 1.00 0.00 H new ATOM 0 HA HIS A 84 10.425 5.572 4.084 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.543 7.758 5.549 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.275 6.582 5.832 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.010 4.389 7.422 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.980 5.679 8.175 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.180 3.994 8.807 1.00 0.00 H new ATOM 1330 N ILE A 85 7.321 5.803 3.098 1.00 0.00 N ATOM 1331 CA ILE A 85 6.148 5.025 2.700 1.00 0.00 C ATOM 1332 C ILE A 85 6.382 4.330 1.357 1.00 0.00 C ATOM 1333 O ILE A 85 5.893 3.226 1.135 1.00 0.00 O ATOM 1334 CB ILE A 85 4.830 5.877 2.684 1.00 0.00 C ATOM 1335 CG1 ILE A 85 4.324 6.178 1.271 1.00 0.00 C ATOM 1336 CG2 ILE A 85 4.991 7.167 3.459 1.00 0.00 C ATOM 1337 CD1 ILE A 85 2.819 6.386 1.207 1.00 0.00 C ATOM 0 H ILE A 85 7.286 6.788 2.836 1.00 0.00 H new ATOM 0 HA ILE A 85 6.006 4.258 3.461 1.00 0.00 H new ATOM 0 HB ILE A 85 4.078 5.259 3.174 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.824 7.070 0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.599 5.356 0.610 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.058 7.730 3.426 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.241 6.940 4.495 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.790 7.761 3.015 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.524 6.595 0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.312 5.485 1.554 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.541 7.226 1.843 1.00 0.00 H new ATOM 1349 N GLU A 86 7.147 4.967 0.475 1.00 0.00 N ATOM 1350 CA GLU A 86 7.456 4.385 -0.827 1.00 0.00 C ATOM 1351 C GLU A 86 8.474 3.266 -0.662 1.00 0.00 C ATOM 1352 O GLU A 86 8.293 2.171 -1.190 1.00 0.00 O ATOM 1353 CB GLU A 86 7.976 5.450 -1.801 1.00 0.00 C ATOM 1354 CG GLU A 86 9.020 6.379 -1.209 1.00 0.00 C ATOM 1355 CD GLU A 86 10.289 6.437 -2.039 1.00 0.00 C ATOM 1356 OE1 GLU A 86 10.234 6.085 -3.236 1.00 0.00 O ATOM 1357 OE2 GLU A 86 11.338 6.836 -1.491 1.00 0.00 O ATOM 0 H GLU A 86 7.563 5.884 0.638 1.00 0.00 H new ATOM 0 HA GLU A 86 6.539 3.973 -1.248 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.401 4.952 -2.672 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.134 6.046 -2.154 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.601 7.382 -1.122 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.265 6.048 -0.200 1.00 0.00 H new ATOM 1364 N GLN A 87 9.529 3.527 0.110 1.00 0.00 N ATOM 1365 CA GLN A 87 10.539 2.511 0.367 1.00 0.00 C ATOM 1366 C GLN A 87 9.872 1.302 1.008 1.00 0.00 C ATOM 1367 O GLN A 87 10.301 0.163 0.825 1.00 0.00 O ATOM 1368 CB GLN A 87 11.635 3.056 1.287 1.00 0.00 C ATOM 1369 CG GLN A 87 12.930 3.391 0.564 1.00 0.00 C ATOM 1370 CD GLN A 87 12.775 4.543 -0.408 1.00 0.00 C ATOM 1371 OE1 GLN A 87 13.000 5.700 -0.057 1.00 0.00 O ATOM 1372 NE2 GLN A 87 12.387 4.229 -1.639 1.00 0.00 N ATOM 0 H GLN A 87 9.702 4.425 0.562 1.00 0.00 H new ATOM 0 HA GLN A 87 11.003 2.221 -0.576 1.00 0.00 H new ATOM 0 HB2 GLN A 87 11.266 3.952 1.786 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.843 2.321 2.064 1.00 0.00 H new ATOM 0 HG2 GLN A 87 13.697 3.640 1.297 1.00 0.00 H new ATOM 0 HG3 GLN A 87 13.279 2.510 0.025 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.212 3.255 -1.886 1.00 0.00 H new ATOM 0 HE22 GLN A 87 12.264 4.962 -2.338 1.00 0.00 H new ATOM 1381 N ASN A 88 8.804 1.574 1.752 1.00 0.00 N ATOM 1382 CA ASN A 88 8.042 0.534 2.419 1.00 0.00 C ATOM 1383 C ASN A 88 7.046 -0.097 1.451 1.00 0.00 C ATOM 1384 O ASN A 88 7.185 -1.258 1.074 1.00 0.00 O ATOM 1385 CB ASN A 88 7.302 1.115 3.628 1.00 0.00 C ATOM 1386 CG ASN A 88 8.070 0.924 4.921 1.00 0.00 C ATOM 1387 OD1 ASN A 88 7.746 0.050 5.725 1.00 0.00 O ATOM 1388 ND2 ASN A 88 9.093 1.743 5.129 1.00 0.00 N ATOM 0 H ASN A 88 8.447 2.517 1.906 1.00 0.00 H new ATOM 0 HA ASN A 88 8.732 -0.236 2.763 1.00 0.00 H new ATOM 0 HB2 ASN A 88 7.126 2.179 3.466 1.00 0.00 H new ATOM 0 HB3 ASN A 88 6.325 0.640 3.715 1.00 0.00 H new ATOM 0 HD21 ASN A 88 9.646 1.662 5.982 1.00 0.00 H new ATOM 0 HD22 ASN A 88 9.327 2.454 4.436 1.00 0.00 H new ATOM 1395 N ILE A 89 6.040 0.680 1.051 1.00 0.00 N ATOM 1396 CA ILE A 89 5.018 0.193 0.130 1.00 0.00 C ATOM 1397 C ILE A 89 5.637 -0.450 -1.097 1.00 0.00 C ATOM 1398 O ILE A 89 5.218 -1.528 -1.518 1.00 0.00 O ATOM 1399 CB ILE A 89 4.042 1.316 -0.303 1.00 0.00 C ATOM 1400 CG1 ILE A 89 2.663 1.044 0.280 1.00 0.00 C ATOM 1401 CG2 ILE A 89 3.950 1.435 -1.824 1.00 0.00 C ATOM 1402 CD1 ILE A 89 2.082 2.222 1.037 1.00 0.00 C ATOM 0 H ILE A 89 5.912 1.647 1.350 1.00 0.00 H new ATOM 0 HA ILE A 89 4.449 -0.562 0.673 1.00 0.00 H new ATOM 0 HB ILE A 89 4.428 2.262 0.078 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.984 0.771 -0.527 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.723 0.186 0.950 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.256 2.234 -2.085 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.935 1.663 -2.231 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.594 0.493 -2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.098 1.956 1.424 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.740 2.482 1.866 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.989 3.076 0.366 1.00 0.00 H new ATOM 1414 N LYS A 90 6.630 0.204 -1.676 1.00 0.00 N ATOM 1415 CA LYS A 90 7.272 -0.345 -2.851 1.00 0.00 C ATOM 1416 C LYS A 90 7.930 -1.673 -2.504 1.00 0.00 C ATOM 1417 O LYS A 90 8.023 -2.570 -3.339 1.00 0.00 O ATOM 1418 CB LYS A 90 8.299 0.628 -3.434 1.00 0.00 C ATOM 1419 CG LYS A 90 7.709 1.971 -3.832 1.00 0.00 C ATOM 1420 CD LYS A 90 7.378 2.016 -5.316 1.00 0.00 C ATOM 1421 CE LYS A 90 8.636 2.011 -6.171 1.00 0.00 C ATOM 1422 NZ LYS A 90 8.736 3.231 -7.019 1.00 0.00 N ATOM 0 H LYS A 90 7.001 1.099 -1.357 1.00 0.00 H new ATOM 0 HA LYS A 90 6.510 -0.510 -3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.089 0.791 -2.701 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.764 0.172 -4.308 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.806 2.160 -3.251 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.415 2.766 -3.591 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.757 1.159 -5.577 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.794 2.911 -5.532 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.513 1.944 -5.527 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.639 1.126 -6.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.607 3.189 -7.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.912 3.282 -7.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.759 4.075 -6.412 1.00 0.00 H new ATOM 1436 N GLU A 91 8.362 -1.796 -1.252 1.00 0.00 N ATOM 1437 CA GLU A 91 8.981 -3.022 -0.771 1.00 0.00 C ATOM 1438 C GLU A 91 7.921 -3.956 -0.183 1.00 0.00 C ATOM 1439 O GLU A 91 8.227 -5.073 0.235 1.00 0.00 O ATOM 1440 CB GLU A 91 10.045 -2.708 0.282 1.00 0.00 C ATOM 1441 CG GLU A 91 11.001 -3.861 0.542 1.00 0.00 C ATOM 1442 CD GLU A 91 11.858 -3.643 1.773 1.00 0.00 C ATOM 1443 OE1 GLU A 91 11.977 -2.481 2.215 1.00 0.00 O ATOM 1444 OE2 GLU A 91 12.409 -4.634 2.297 1.00 0.00 O ATOM 0 H GLU A 91 8.293 -1.057 -0.552 1.00 0.00 H new ATOM 0 HA GLU A 91 9.461 -3.519 -1.614 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.617 -1.838 -0.040 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.552 -2.438 1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 91 10.430 -4.782 0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 91 11.646 -3.995 -0.326 1.00 0.00 H new ATOM 1451 N ILE A 92 6.670 -3.490 -0.165 1.00 0.00 N ATOM 1452 CA ILE A 92 5.563 -4.272 0.355 1.00 0.00 C ATOM 1453 C ILE A 92 5.132 -5.296 -0.681 1.00 0.00 C ATOM 1454 O ILE A 92 4.758 -6.418 -0.346 1.00 0.00 O ATOM 1455 CB ILE A 92 4.377 -3.360 0.765 1.00 0.00 C ATOM 1456 CG1 ILE A 92 4.393 -3.124 2.278 1.00 0.00 C ATOM 1457 CG2 ILE A 92 3.039 -3.950 0.342 1.00 0.00 C ATOM 1458 CD1 ILE A 92 5.748 -2.715 2.816 1.00 0.00 C ATOM 0 H ILE A 92 6.405 -2.567 -0.509 1.00 0.00 H new ATOM 0 HA ILE A 92 5.893 -4.795 1.252 1.00 0.00 H new ATOM 0 HB ILE A 92 4.498 -2.408 0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.666 -2.350 2.524 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.072 -4.035 2.782 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.234 -3.282 0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.020 -4.070 -0.741 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.903 -4.922 0.817 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.682 -2.566 3.894 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.476 -3.498 2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 92 6.063 -1.787 2.340 1.00 0.00 H new ATOM 1470 N PHE A 93 5.207 -4.902 -1.947 1.00 0.00 N ATOM 1471 CA PHE A 93 4.842 -5.789 -3.040 1.00 0.00 C ATOM 1472 C PHE A 93 5.805 -6.977 -3.111 1.00 0.00 C ATOM 1473 O PHE A 93 5.429 -8.070 -3.531 1.00 0.00 O ATOM 1474 CB PHE A 93 4.859 -5.020 -4.366 1.00 0.00 C ATOM 1475 CG PHE A 93 6.088 -5.286 -5.183 1.00 0.00 C ATOM 1476 CD1 PHE A 93 7.334 -4.972 -4.678 1.00 0.00 C ATOM 1477 CD2 PHE A 93 6.000 -5.875 -6.432 1.00 0.00 C ATOM 1478 CE1 PHE A 93 8.476 -5.238 -5.401 1.00 0.00 C ATOM 1479 CE2 PHE A 93 7.139 -6.140 -7.165 1.00 0.00 C ATOM 1480 CZ PHE A 93 8.380 -5.823 -6.648 1.00 0.00 C ATOM 0 H PHE A 93 5.517 -3.975 -2.239 1.00 0.00 H new ATOM 0 HA PHE A 93 3.836 -6.168 -2.860 1.00 0.00 H new ATOM 0 HB2 PHE A 93 3.978 -5.290 -4.947 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.790 -3.952 -4.161 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.414 -4.512 -3.704 1.00 0.00 H new ATOM 0 HD2 PHE A 93 5.032 -6.130 -6.837 1.00 0.00 H new ATOM 0 HE1 PHE A 93 9.445 -4.989 -4.993 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.060 -6.595 -8.141 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.273 -6.032 -7.218 1.00 0.00 H new ATOM 1490 N HIS A 94 7.055 -6.742 -2.709 1.00 0.00 N ATOM 1491 CA HIS A 94 8.080 -7.780 -2.740 1.00 0.00 C ATOM 1492 C HIS A 94 7.669 -8.952 -1.870 1.00 0.00 C ATOM 1493 O HIS A 94 7.564 -10.085 -2.340 1.00 0.00 O ATOM 1494 CB HIS A 94 9.423 -7.216 -2.271 1.00 0.00 C ATOM 1495 CG HIS A 94 10.501 -7.297 -3.306 1.00 0.00 C ATOM 1496 ND1 HIS A 94 10.527 -8.263 -4.290 1.00 0.00 N ATOM 1497 CD2 HIS A 94 11.597 -6.527 -3.510 1.00 0.00 C ATOM 1498 CE1 HIS A 94 11.592 -8.085 -5.053 1.00 0.00 C ATOM 1499 NE2 HIS A 94 12.256 -7.037 -4.601 1.00 0.00 N ATOM 0 H HIS A 94 7.380 -5.841 -2.358 1.00 0.00 H new ATOM 0 HA HIS A 94 8.189 -8.130 -3.767 1.00 0.00 H new ATOM 0 HB2 HIS A 94 9.288 -6.174 -1.979 1.00 0.00 H new ATOM 0 HB3 HIS A 94 9.744 -7.757 -1.381 1.00 0.00 H new ATOM 0 HD2 HIS A 94 11.897 -5.671 -2.923 1.00 0.00 H new ATOM 0 HE1 HIS A 94 11.871 -8.693 -5.901 1.00 0.00 H new ATOM 0 HE2 HIS A 94 13.119 -6.666 -4.998 1.00 0.00 H new ATOM 1508 N HIS A 95 7.416 -8.666 -0.602 1.00 0.00 N ATOM 1509 CA HIS A 95 6.990 -9.691 0.331 1.00 0.00 C ATOM 1510 C HIS A 95 5.574 -10.155 0.001 1.00 0.00 C ATOM 1511 O HIS A 95 5.094 -11.146 0.551 1.00 0.00 O ATOM 1512 CB HIS A 95 7.054 -9.159 1.765 1.00 0.00 C ATOM 1513 CG HIS A 95 8.086 -9.837 2.610 1.00 0.00 C ATOM 1514 ND1 HIS A 95 7.822 -10.960 3.367 1.00 0.00 N ATOM 1515 CD2 HIS A 95 9.392 -9.547 2.816 1.00 0.00 C ATOM 1516 CE1 HIS A 95 8.920 -11.329 4.001 1.00 0.00 C ATOM 1517 NE2 HIS A 95 9.887 -10.489 3.683 1.00 0.00 N ATOM 0 H HIS A 95 7.499 -7.733 -0.198 1.00 0.00 H new ATOM 0 HA HIS A 95 7.663 -10.544 0.243 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.264 -8.090 1.738 1.00 0.00 H new ATOM 0 HB3 HIS A 95 6.077 -9.280 2.233 1.00 0.00 H new ATOM 0 HD2 HIS A 95 9.942 -8.727 2.379 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.011 -12.175 4.667 1.00 0.00 H new ATOM 0 HE2 HIS A 95 10.847 -10.533 4.026 1.00 0.00 H new ATOM 1526 N LEU A 96 4.906 -9.436 -0.906 1.00 0.00 N ATOM 1527 CA LEU A 96 3.548 -9.790 -1.304 1.00 0.00 C ATOM 1528 C LEU A 96 3.573 -10.754 -2.475 1.00 0.00 C ATOM 1529 O LEU A 96 3.008 -11.846 -2.403 1.00 0.00 O ATOM 1530 CB LEU A 96 2.757 -8.532 -1.647 1.00 0.00 C ATOM 1531 CG LEU A 96 2.238 -7.771 -0.434 1.00 0.00 C ATOM 1532 CD1 LEU A 96 1.626 -6.447 -0.856 1.00 0.00 C ATOM 1533 CD2 LEU A 96 1.223 -8.599 0.336 1.00 0.00 C ATOM 0 H LEU A 96 5.284 -8.612 -1.373 1.00 0.00 H new ATOM 0 HA LEU A 96 3.054 -10.288 -0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.390 -7.868 -2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.912 -8.808 -2.278 1.00 0.00 H new ATOM 0 HG LEU A 96 3.084 -7.571 0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.261 -5.918 0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.381 -5.841 -1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.796 -6.631 -1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.869 -8.032 1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.380 -8.837 -0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.691 -9.523 0.677 1.00 0.00 H new ATOM 1545 N GLU A 97 4.263 -10.366 -3.538 1.00 0.00 N ATOM 1546 CA GLU A 97 4.393 -11.228 -4.700 1.00 0.00 C ATOM 1547 C GLU A 97 5.138 -12.499 -4.304 1.00 0.00 C ATOM 1548 O GLU A 97 5.151 -13.481 -5.044 1.00 0.00 O ATOM 1549 CB GLU A 97 5.136 -10.507 -5.826 1.00 0.00 C ATOM 1550 CG GLU A 97 4.217 -9.769 -6.787 1.00 0.00 C ATOM 1551 CD GLU A 97 4.631 -9.936 -8.235 1.00 0.00 C ATOM 1552 OE1 GLU A 97 4.664 -11.089 -8.715 1.00 0.00 O ATOM 1553 OE2 GLU A 97 4.923 -8.914 -8.890 1.00 0.00 O ATOM 0 H GLU A 97 4.737 -9.467 -3.618 1.00 0.00 H new ATOM 0 HA GLU A 97 3.399 -11.488 -5.063 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.838 -9.796 -5.390 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.725 -11.234 -6.385 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.197 -10.133 -6.660 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.210 -8.709 -6.535 1.00 0.00 H new ATOM 1560 N GLU A 98 5.751 -12.474 -3.117 1.00 0.00 N ATOM 1561 CA GLU A 98 6.487 -13.625 -2.611 1.00 0.00 C ATOM 1562 C GLU A 98 5.535 -14.652 -1.996 1.00 0.00 C ATOM 1563 O GLU A 98 5.965 -15.707 -1.534 1.00 0.00 O ATOM 1564 CB GLU A 98 7.521 -13.179 -1.575 1.00 0.00 C ATOM 1565 CG GLU A 98 8.943 -13.150 -2.110 1.00 0.00 C ATOM 1566 CD GLU A 98 9.824 -14.215 -1.488 1.00 0.00 C ATOM 1567 OE1 GLU A 98 9.810 -15.361 -1.984 1.00 0.00 O ATOM 1568 OE2 GLU A 98 10.529 -13.904 -0.504 1.00 0.00 O ATOM 0 H GLU A 98 5.749 -11.668 -2.492 1.00 0.00 H new ATOM 0 HA GLU A 98 7.004 -14.094 -3.448 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.257 -12.185 -1.215 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.478 -13.851 -0.718 1.00 0.00 H new ATOM 0 HG2 GLU A 98 8.923 -13.287 -3.191 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.378 -12.169 -1.921 1.00 0.00 H new ATOM 1575 N LEU A 99 4.240 -14.339 -1.992 1.00 0.00 N ATOM 1576 CA LEU A 99 3.236 -15.240 -1.437 1.00 0.00 C ATOM 1577 C LEU A 99 2.608 -16.082 -2.535 1.00 0.00 C ATOM 1578 O LEU A 99 2.790 -17.298 -2.587 1.00 0.00 O ATOM 1579 CB LEU A 99 2.147 -14.441 -0.725 1.00 0.00 C ATOM 1580 CG LEU A 99 2.647 -13.551 0.406 1.00 0.00 C ATOM 1581 CD1 LEU A 99 1.850 -12.255 0.447 1.00 0.00 C ATOM 1582 CD2 LEU A 99 2.553 -14.282 1.736 1.00 0.00 C ATOM 0 H LEU A 99 3.863 -13.468 -2.367 1.00 0.00 H new ATOM 0 HA LEU A 99 3.728 -15.899 -0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.633 -13.819 -1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.409 -15.136 -0.323 1.00 0.00 H new ATOM 0 HG LEU A 99 3.693 -13.307 0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.217 -11.628 1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.965 -11.727 -0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.796 -12.481 0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.914 -13.633 2.534 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.515 -14.553 1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.163 -15.185 1.699 1.00 0.00 H new ATOM 1594 N VAL A 100 1.866 -15.420 -3.412 1.00 0.00 N ATOM 1595 CA VAL A 100 1.205 -16.094 -4.516 1.00 0.00 C ATOM 1596 C VAL A 100 2.221 -16.794 -5.415 1.00 0.00 C ATOM 1597 O VAL A 100 1.908 -17.791 -6.065 1.00 0.00 O ATOM 1598 CB VAL A 100 0.381 -15.098 -5.352 1.00 0.00 C ATOM 1599 CG1 VAL A 100 -0.399 -15.821 -6.440 1.00 0.00 C ATOM 1600 CG2 VAL A 100 -0.555 -14.301 -4.455 1.00 0.00 C ATOM 0 H VAL A 100 1.708 -14.413 -3.378 1.00 0.00 H new ATOM 0 HA VAL A 100 0.535 -16.841 -4.090 1.00 0.00 H new ATOM 0 HB VAL A 100 1.068 -14.404 -5.836 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.974 -15.097 -7.018 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.295 -16.343 -7.099 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.078 -16.542 -5.983 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.131 -13.601 -5.060 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.235 -14.982 -3.942 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.029 -13.749 -3.719 1.00 0.00 H new ATOM 1610 N HIS A 101 3.441 -16.267 -5.442 1.00 0.00 N ATOM 1611 CA HIS A 101 4.499 -16.844 -6.258 1.00 0.00 C ATOM 1612 C HIS A 101 5.234 -17.949 -5.504 1.00 0.00 C ATOM 1613 O HIS A 101 5.689 -18.922 -6.105 1.00 0.00 O ATOM 1614 CB HIS A 101 5.487 -15.762 -6.698 1.00 0.00 C ATOM 1615 CG HIS A 101 6.122 -16.038 -8.026 1.00 0.00 C ATOM 1616 ND1 HIS A 101 7.195 -16.888 -8.187 1.00 0.00 N ATOM 1617 CD2 HIS A 101 5.827 -15.570 -9.263 1.00 0.00 C ATOM 1618 CE1 HIS A 101 7.532 -16.931 -9.464 1.00 0.00 C ATOM 1619 NE2 HIS A 101 6.717 -16.140 -10.137 1.00 0.00 N ATOM 0 H HIS A 101 3.719 -15.443 -4.909 1.00 0.00 H new ATOM 0 HA HIS A 101 4.037 -17.282 -7.143 1.00 0.00 H new ATOM 0 HB2 HIS A 101 4.968 -14.804 -6.744 1.00 0.00 H new ATOM 0 HB3 HIS A 101 6.268 -15.666 -5.944 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.038 -14.877 -9.514 1.00 0.00 H new ATOM 0 HE1 HIS A 101 8.337 -17.514 -9.886 1.00 0.00 H new ATOM 0 HE2 HIS A 101 6.745 -15.979 -11.144 1.00 0.00 H new ATOM 1628 N ARG A 102 5.350 -17.800 -4.185 1.00 0.00 N ATOM 1629 CA ARG A 102 6.034 -18.802 -3.371 1.00 0.00 C ATOM 1630 C ARG A 102 5.041 -19.802 -2.789 1.00 0.00 C ATOM 1631 O ARG A 102 5.246 -21.019 -2.982 1.00 0.00 O ATOM 1632 CB ARG A 102 6.822 -18.132 -2.246 1.00 0.00 C ATOM 1633 CG ARG A 102 7.976 -18.975 -1.726 1.00 0.00 C ATOM 1634 CD ARG A 102 8.713 -18.272 -0.597 1.00 0.00 C ATOM 1635 NE ARG A 102 7.919 -18.225 0.629 1.00 0.00 N ATOM 1636 CZ ARG A 102 8.107 -17.337 1.604 1.00 0.00 C ATOM 1637 NH1 ARG A 102 9.066 -16.425 1.505 1.00 0.00 N ATOM 1638 NH2 ARG A 102 7.335 -17.363 2.680 1.00 0.00 N ATOM 1639 OXT ARG A 102 4.067 -19.361 -2.144 1.00 0.00 O ATOM 0 H ARG A 102 4.984 -17.004 -3.663 1.00 0.00 H new ATOM 0 HA ARG A 102 6.728 -19.341 -4.016 1.00 0.00 H new ATOM 0 HB2 ARG A 102 7.212 -17.179 -2.604 1.00 0.00 H new ATOM 0 HB3 ARG A 102 6.145 -17.910 -1.421 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.597 -19.934 -1.373 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.670 -19.186 -2.540 1.00 0.00 H new ATOM 0 HD2 ARG A 102 9.653 -18.788 -0.401 1.00 0.00 H new ATOM 0 HD3 ARG A 102 8.965 -17.257 -0.905 1.00 0.00 H new ATOM 0 HE ARG A 102 7.176 -18.914 0.745 1.00 0.00 H new ATOM 0 HH11 ARG A 102 9.664 -16.401 0.679 1.00 0.00 H new ATOM 0 HH12 ARG A 102 9.205 -15.748 2.255 1.00 0.00 H new ATOM 0 HH21 ARG A 102 6.597 -18.063 2.762 1.00 0.00 H new ATOM 0 HH22 ARG A 102 7.478 -16.683 3.427 1.00 0.00 H new