USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 716 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: B 12 HIS : no HD1:sc= -5.96! K(o=-15!,f=-12) USER MOD Set 1.2: B 13 HIS : no HE2:sc= -9.23! C(o=-15!,f=-13!) USER MOD Set 2.1: B 5 HIS : no HE2:sc= -4.61! C(o=-4.7!,f=-3.9!) USER MOD Set 2.2: B 6 HIS : no HD1:sc= -0.135 K(o=-4.7,f=-4.1) USER MOD Set 3.1: A 12 HIS : no HD1:sc= -5.87! K(o=-15!,f=-13) USER MOD Set 3.2: A 13 HIS : no HE2:sc= -9.47! C(o=-15!,f=-13!) USER MOD Set 4.1: A 5 HIS : no HE2:sc= -4.44! C(o=-4.6!,f=-3.9!) USER MOD Set 4.2: A 6 HIS : no HD1:sc= -0.16 X(o=-4.6,f=-4.2) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.178 K(o=-0.18,f=-0.75) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -153:sc= 0.0819 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -1.83 X(o=-1.8,f=-2.3!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 ASN : amide:sc= -0.101 K(o=-0.1,f=-0.82) USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 22 LYS NZ :NH3+ -159:sc= 0.0729 (180deg=0) USER MOD Single : B 27 HIS : no HD1:sc= -1.84 X(o=-1.8,f=-2.3!) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -32.774 -11.898 -0.132 1.00 0.00 N ATOM 2 CA ALA A 1 -31.578 -11.377 -0.846 1.00 0.00 C ATOM 3 C ALA A 1 -31.010 -10.151 -0.139 1.00 0.00 C ATOM 4 O ALA A 1 -30.780 -9.115 -0.761 1.00 0.00 O ATOM 5 CB ALA A 1 -31.931 -11.038 -2.286 1.00 0.00 C ATOM 0 H1 ALA A 1 -33.141 -12.732 -0.633 1.00 0.00 H new ATOM 0 H2 ALA A 1 -32.510 -12.165 0.838 1.00 0.00 H new ATOM 0 H3 ALA A 1 -33.508 -11.162 -0.101 1.00 0.00 H new ATOM 0 HA ALA A 1 -30.815 -12.155 -0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -31.047 -10.658 -2.798 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -32.287 -11.934 -2.794 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -32.713 -10.279 -2.300 1.00 0.00 H new ATOM 13 N LEU A 2 -30.787 -10.277 1.165 1.00 0.00 N ATOM 14 CA LEU A 2 -30.245 -9.180 1.958 1.00 0.00 C ATOM 15 C LEU A 2 -28.926 -8.686 1.372 1.00 0.00 C ATOM 16 O LEU A 2 -28.114 -9.477 0.892 1.00 0.00 O ATOM 17 CB LEU A 2 -30.040 -9.621 3.408 1.00 0.00 C ATOM 18 CG LEU A 2 -31.292 -10.157 4.104 1.00 0.00 C ATOM 19 CD1 LEU A 2 -30.935 -11.309 5.032 1.00 0.00 C ATOM 20 CD2 LEU A 2 -31.989 -9.046 4.874 1.00 0.00 C ATOM 0 H LEU A 2 -30.973 -11.128 1.695 1.00 0.00 H new ATOM 0 HA LEU A 2 -30.962 -8.360 1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -29.271 -10.393 3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -29.660 -8.774 3.979 1.00 0.00 H new ATOM 0 HG LEU A 2 -31.977 -10.530 3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -31.838 -11.678 5.518 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -30.480 -12.114 4.455 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -30.231 -10.962 5.789 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -32.878 -9.445 5.363 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -31.310 -8.644 5.626 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -32.279 -8.252 4.185 1.00 0.00 H new ATOM 32 N LYS A 3 -28.718 -7.374 1.417 1.00 0.00 N ATOM 33 CA LYS A 3 -27.497 -6.775 0.892 1.00 0.00 C ATOM 34 C LYS A 3 -26.475 -6.559 2.003 1.00 0.00 C ATOM 35 O LYS A 3 -25.632 -5.666 1.920 1.00 0.00 O ATOM 36 CB LYS A 3 -27.810 -5.444 0.206 1.00 0.00 C ATOM 37 CG LYS A 3 -27.389 -5.398 -1.253 1.00 0.00 C ATOM 38 CD LYS A 3 -28.366 -6.152 -2.140 1.00 0.00 C ATOM 39 CE LYS A 3 -27.978 -7.616 -2.275 1.00 0.00 C ATOM 40 NZ LYS A 3 -27.822 -8.020 -3.700 1.00 0.00 N ATOM 0 H LYS A 3 -29.380 -6.706 1.812 1.00 0.00 H new ATOM 0 HA LYS A 3 -27.072 -7.462 0.160 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -28.881 -5.254 0.273 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -27.309 -4.640 0.746 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -27.324 -4.361 -1.581 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -26.393 -5.829 -1.359 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -29.370 -6.077 -1.723 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -28.395 -5.689 -3.127 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -27.044 -7.795 -1.743 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -28.738 -8.238 -1.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -27.557 -9.025 -3.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -28.721 -7.874 -4.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -27.079 -7.444 -4.145 1.00 0.00 H new ATOM 54 N LYS A 4 -26.556 -7.383 3.044 1.00 0.00 N ATOM 55 CA LYS A 4 -25.638 -7.281 4.172 1.00 0.00 C ATOM 56 C LYS A 4 -24.215 -7.625 3.746 1.00 0.00 C ATOM 57 O LYS A 4 -23.248 -7.089 4.288 1.00 0.00 O ATOM 58 CB LYS A 4 -26.083 -8.210 5.303 1.00 0.00 C ATOM 59 CG LYS A 4 -25.968 -9.686 4.959 1.00 0.00 C ATOM 60 CD LYS A 4 -24.869 -10.361 5.764 1.00 0.00 C ATOM 61 CE LYS A 4 -23.669 -10.699 4.893 1.00 0.00 C ATOM 62 NZ LYS A 4 -22.888 -11.842 5.443 1.00 0.00 N ATOM 0 H LYS A 4 -27.248 -8.128 3.129 1.00 0.00 H new ATOM 0 HA LYS A 4 -25.653 -6.252 4.530 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -25.482 -8.004 6.189 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -27.118 -7.985 5.561 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -26.919 -10.181 5.153 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -25.762 -9.798 3.895 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -24.557 -9.706 6.577 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -25.257 -11.272 6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -24.008 -10.942 3.886 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -23.023 -9.825 4.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -22.079 -12.041 4.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -22.542 -11.601 6.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -23.497 -12.683 5.499 1.00 0.00 H new ATOM 76 N HIS A 5 -24.094 -8.522 2.773 1.00 0.00 N ATOM 77 CA HIS A 5 -22.788 -8.937 2.275 1.00 0.00 C ATOM 78 C HIS A 5 -22.013 -7.745 1.722 1.00 0.00 C ATOM 79 O HIS A 5 -20.786 -7.700 1.797 1.00 0.00 O ATOM 80 CB HIS A 5 -22.947 -10.003 1.190 1.00 0.00 C ATOM 81 CG HIS A 5 -23.880 -9.603 0.090 1.00 0.00 C ATOM 82 ND1 HIS A 5 -25.040 -10.292 -0.202 1.00 0.00 N ATOM 83 CD2 HIS A 5 -23.822 -8.577 -0.792 1.00 0.00 C ATOM 84 CE1 HIS A 5 -25.653 -9.708 -1.216 1.00 0.00 C ATOM 85 NE2 HIS A 5 -24.936 -8.666 -1.592 1.00 0.00 N ATOM 0 H HIS A 5 -24.884 -8.975 2.314 1.00 0.00 H new ATOM 0 HA HIS A 5 -22.227 -9.358 3.109 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -21.969 -10.224 0.763 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -23.311 -10.923 1.647 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -25.372 -11.122 0.289 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -23.046 -7.829 -0.855 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -26.583 -10.029 -1.662 1.00 0.00 H new ATOM 94 N HIS A 6 -22.740 -6.780 1.165 1.00 0.00 N ATOM 95 CA HIS A 6 -22.121 -5.587 0.600 1.00 0.00 C ATOM 96 C HIS A 6 -21.437 -4.764 1.686 1.00 0.00 C ATOM 97 O HIS A 6 -20.240 -4.489 1.606 1.00 0.00 O ATOM 98 CB HIS A 6 -23.169 -4.736 -0.120 1.00 0.00 C ATOM 99 CG HIS A 6 -22.926 -4.607 -1.591 1.00 0.00 C ATOM 100 ND1 HIS A 6 -22.393 -5.622 -2.358 1.00 0.00 N ATOM 101 CD2 HIS A 6 -23.146 -3.573 -2.439 1.00 0.00 C ATOM 102 CE1 HIS A 6 -22.296 -5.218 -3.613 1.00 0.00 C ATOM 103 NE2 HIS A 6 -22.746 -3.980 -3.688 1.00 0.00 N ATOM 0 H HIS A 6 -23.757 -6.802 1.093 1.00 0.00 H new ATOM 0 HA HIS A 6 -21.366 -5.904 -0.119 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -24.154 -5.175 0.040 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -23.186 -3.741 0.326 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -23.559 -2.609 -2.181 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -21.913 -5.802 -4.437 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -22.790 -3.416 -4.537 1.00 0.00 H new ATOM 112 N GLU A 7 -22.202 -4.376 2.700 1.00 0.00 N ATOM 113 CA GLU A 7 -21.665 -3.586 3.803 1.00 0.00 C ATOM 114 C GLU A 7 -20.408 -4.235 4.370 1.00 0.00 C ATOM 115 O GLU A 7 -19.555 -3.562 4.948 1.00 0.00 O ATOM 116 CB GLU A 7 -22.714 -3.427 4.905 1.00 0.00 C ATOM 117 CG GLU A 7 -22.201 -2.689 6.130 1.00 0.00 C ATOM 118 CD GLU A 7 -21.838 -3.625 7.265 1.00 0.00 C ATOM 119 OE1 GLU A 7 -21.150 -4.635 7.004 1.00 0.00 O ATOM 120 OE2 GLU A 7 -22.240 -3.350 8.415 1.00 0.00 O ATOM 0 H GLU A 7 -23.195 -4.595 2.782 1.00 0.00 H new ATOM 0 HA GLU A 7 -21.403 -2.600 3.419 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -23.574 -2.892 4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -23.065 -4.414 5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -21.325 -2.101 5.855 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -22.962 -1.987 6.472 1.00 0.00 H new ATOM 127 N ASN A 8 -20.295 -5.548 4.196 1.00 0.00 N ATOM 128 CA ASN A 8 -19.137 -6.287 4.685 1.00 0.00 C ATOM 129 C ASN A 8 -17.905 -5.948 3.857 1.00 0.00 C ATOM 130 O ASN A 8 -16.909 -5.451 4.385 1.00 0.00 O ATOM 131 CB ASN A 8 -19.404 -7.793 4.639 1.00 0.00 C ATOM 132 CG ASN A 8 -19.699 -8.370 6.009 1.00 0.00 C ATOM 133 OD1 ASN A 8 -20.144 -7.660 6.911 1.00 0.00 O ATOM 134 ND2 ASN A 8 -19.451 -9.664 6.172 1.00 0.00 N ATOM 0 H ASN A 8 -20.991 -6.122 3.720 1.00 0.00 H new ATOM 0 HA ASN A 8 -18.955 -5.997 5.720 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -20.246 -7.990 3.976 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -18.538 -8.300 4.213 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -19.629 -10.108 7.073 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -19.082 -10.214 5.396 1.00 0.00 H new ATOM 141 N GLU A 9 -17.983 -6.203 2.556 1.00 0.00 N ATOM 142 CA GLU A 9 -16.875 -5.906 1.657 1.00 0.00 C ATOM 143 C GLU A 9 -16.502 -4.429 1.745 1.00 0.00 C ATOM 144 O GLU A 9 -15.390 -4.038 1.389 1.00 0.00 O ATOM 145 CB GLU A 9 -17.245 -6.266 0.218 1.00 0.00 C ATOM 146 CG GLU A 9 -16.812 -7.664 -0.193 1.00 0.00 C ATOM 147 CD GLU A 9 -15.354 -7.941 0.122 1.00 0.00 C ATOM 148 OE1 GLU A 9 -15.060 -8.335 1.269 1.00 0.00 O ATOM 149 OE2 GLU A 9 -14.508 -7.763 -0.778 1.00 0.00 O ATOM 0 H GLU A 9 -18.799 -6.613 2.102 1.00 0.00 H new ATOM 0 HA GLU A 9 -16.016 -6.505 1.959 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -18.325 -6.180 0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -16.790 -5.541 -0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -17.436 -8.398 0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -16.979 -7.792 -1.262 1.00 0.00 H new ATOM 156 N ILE A 10 -17.440 -3.612 2.219 1.00 0.00 N ATOM 157 CA ILE A 10 -17.217 -2.181 2.355 1.00 0.00 C ATOM 158 C ILE A 10 -16.237 -1.893 3.500 1.00 0.00 C ATOM 159 O ILE A 10 -15.249 -1.181 3.321 1.00 0.00 O ATOM 160 CB ILE A 10 -18.583 -1.438 2.546 1.00 0.00 C ATOM 161 CG1 ILE A 10 -18.785 -0.412 1.431 1.00 0.00 C ATOM 162 CG2 ILE A 10 -18.731 -0.766 3.914 1.00 0.00 C ATOM 163 CD1 ILE A 10 -20.136 -0.522 0.758 1.00 0.00 C ATOM 0 H ILE A 10 -18.365 -3.922 2.516 1.00 0.00 H new ATOM 0 HA ILE A 10 -16.761 -1.801 1.441 1.00 0.00 H new ATOM 0 HB ILE A 10 -19.357 -2.203 2.495 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -18.672 0.591 1.844 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -18.002 -0.539 0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -19.701 -0.272 3.974 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -18.658 -1.519 4.699 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -17.939 -0.028 4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -20.216 0.234 -0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -20.243 -1.513 0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -20.924 -0.366 1.495 1.00 0.00 H new ATOM 175 N SER A 11 -16.526 -2.452 4.671 1.00 0.00 N ATOM 176 CA SER A 11 -15.679 -2.255 5.841 1.00 0.00 C ATOM 177 C SER A 11 -14.288 -2.838 5.614 1.00 0.00 C ATOM 178 O SER A 11 -13.309 -2.382 6.207 1.00 0.00 O ATOM 179 CB SER A 11 -16.319 -2.897 7.073 1.00 0.00 C ATOM 180 OG SER A 11 -15.837 -2.305 8.267 1.00 0.00 O ATOM 0 H SER A 11 -17.340 -3.045 4.834 1.00 0.00 H new ATOM 0 HA SER A 11 -15.579 -1.183 6.008 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.402 -2.789 7.022 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.106 -3.966 7.082 1.00 0.00 H new ATOM 0 HG SER A 11 -16.263 -2.732 9.039 1.00 0.00 H new ATOM 186 N HIS A 12 -14.207 -3.849 4.754 1.00 0.00 N ATOM 187 CA HIS A 12 -12.934 -4.489 4.456 1.00 0.00 C ATOM 188 C HIS A 12 -12.085 -3.595 3.546 1.00 0.00 C ATOM 189 O HIS A 12 -10.885 -3.436 3.767 1.00 0.00 O ATOM 190 CB HIS A 12 -13.189 -5.891 3.850 1.00 0.00 C ATOM 191 CG HIS A 12 -12.450 -6.204 2.578 1.00 0.00 C ATOM 192 ND1 HIS A 12 -11.099 -6.481 2.536 1.00 0.00 N ATOM 193 CD2 HIS A 12 -12.889 -6.281 1.301 1.00 0.00 C ATOM 194 CE1 HIS A 12 -10.740 -6.715 1.286 1.00 0.00 C ATOM 195 NE2 HIS A 12 -11.807 -6.601 0.518 1.00 0.00 N ATOM 0 H HIS A 12 -15.005 -4.240 4.254 1.00 0.00 H new ATOM 0 HA HIS A 12 -12.363 -4.627 5.374 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -12.923 -6.641 4.595 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -14.257 -5.994 3.661 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -13.901 -6.121 0.961 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -9.743 -6.958 0.950 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -11.825 -6.730 -0.494 1.00 0.00 H new ATOM 204 N HIS A 13 -12.713 -3.005 2.533 1.00 0.00 N ATOM 205 CA HIS A 13 -12.000 -2.125 1.615 1.00 0.00 C ATOM 206 C HIS A 13 -11.510 -0.883 2.349 1.00 0.00 C ATOM 207 O HIS A 13 -10.531 -0.259 1.943 1.00 0.00 O ATOM 208 CB HIS A 13 -12.892 -1.706 0.447 1.00 0.00 C ATOM 209 CG HIS A 13 -13.521 -2.847 -0.285 1.00 0.00 C ATOM 210 ND1 HIS A 13 -12.932 -4.087 -0.410 1.00 0.00 N ATOM 211 CD2 HIS A 13 -14.699 -2.923 -0.944 1.00 0.00 C ATOM 212 CE1 HIS A 13 -13.722 -4.877 -1.119 1.00 0.00 C ATOM 213 NE2 HIS A 13 -14.800 -4.193 -1.454 1.00 0.00 N ATOM 0 H HIS A 13 -13.706 -3.119 2.329 1.00 0.00 H new ATOM 0 HA HIS A 13 -11.147 -2.677 1.221 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.679 -1.052 0.822 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.299 -1.121 -0.256 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -12.029 -4.354 -0.018 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -15.426 -2.131 -1.050 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -13.519 -5.905 -1.379 1.00 0.00 H new ATOM 222 N ALA A 14 -12.198 -0.529 3.432 1.00 0.00 N ATOM 223 CA ALA A 14 -11.829 0.638 4.222 1.00 0.00 C ATOM 224 C ALA A 14 -10.538 0.376 4.981 1.00 0.00 C ATOM 225 O ALA A 14 -9.574 1.132 4.868 1.00 0.00 O ATOM 226 CB ALA A 14 -12.949 1.002 5.185 1.00 0.00 C ATOM 0 H ALA A 14 -13.013 -1.034 3.780 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.668 1.478 3.547 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.658 1.876 5.768 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.855 1.227 4.622 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.138 0.164 5.856 1.00 0.00 H new ATOM 232 N LYS A 15 -10.520 -0.711 5.743 1.00 0.00 N ATOM 233 CA LYS A 15 -9.339 -1.083 6.505 1.00 0.00 C ATOM 234 C LYS A 15 -8.213 -1.528 5.572 1.00 0.00 C ATOM 235 O LYS A 15 -7.055 -1.610 5.979 1.00 0.00 O ATOM 236 CB LYS A 15 -9.672 -2.203 7.493 1.00 0.00 C ATOM 237 CG LYS A 15 -9.607 -1.770 8.948 1.00 0.00 C ATOM 238 CD LYS A 15 -10.520 -0.585 9.218 1.00 0.00 C ATOM 239 CE LYS A 15 -10.237 0.040 10.575 1.00 0.00 C ATOM 240 NZ LYS A 15 -11.474 0.175 11.393 1.00 0.00 N ATOM 0 H LYS A 15 -11.310 -1.348 5.848 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.005 -0.208 7.062 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.672 -2.579 7.279 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.980 -3.031 7.338 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.892 -2.604 9.590 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.581 -1.506 9.205 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.387 0.163 8.437 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.560 -0.909 9.175 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.512 -0.571 11.112 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.785 1.022 10.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.238 0.605 12.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.157 0.779 10.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.892 -0.765 11.548 1.00 0.00 H new ATOM 254 N GLU A 16 -8.560 -1.814 4.315 1.00 0.00 N ATOM 255 CA GLU A 16 -7.576 -2.248 3.334 1.00 0.00 C ATOM 256 C GLU A 16 -6.878 -1.052 2.695 1.00 0.00 C ATOM 257 O GLU A 16 -5.694 -1.118 2.376 1.00 0.00 O ATOM 258 CB GLU A 16 -8.242 -3.104 2.255 1.00 0.00 C ATOM 259 CG GLU A 16 -8.141 -4.598 2.516 1.00 0.00 C ATOM 260 CD GLU A 16 -6.719 -5.048 2.786 1.00 0.00 C ATOM 261 OE1 GLU A 16 -5.782 -4.365 2.324 1.00 0.00 O ATOM 262 OE2 GLU A 16 -6.542 -6.085 3.461 1.00 0.00 O ATOM 0 H GLU A 16 -9.513 -1.752 3.958 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.826 -2.848 3.850 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.294 -2.827 2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.784 -2.880 1.291 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.768 -4.857 3.369 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.533 -5.141 1.656 1.00 0.00 H new ATOM 269 N ILE A 17 -7.614 0.042 2.513 1.00 0.00 N ATOM 270 CA ILE A 17 -7.043 1.244 1.917 1.00 0.00 C ATOM 271 C ILE A 17 -6.190 1.990 2.936 1.00 0.00 C ATOM 272 O ILE A 17 -5.157 2.566 2.595 1.00 0.00 O ATOM 273 CB ILE A 17 -8.140 2.183 1.369 1.00 0.00 C ATOM 274 CG1 ILE A 17 -7.519 3.462 0.789 1.00 0.00 C ATOM 275 CG2 ILE A 17 -9.158 2.509 2.454 1.00 0.00 C ATOM 276 CD1 ILE A 17 -7.152 4.504 1.827 1.00 0.00 C ATOM 0 H ILE A 17 -8.599 0.120 2.768 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.417 0.929 1.082 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.662 1.669 0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.624 3.195 0.227 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.220 3.903 0.080 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.923 3.172 2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.624 1.588 2.804 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.657 3.001 3.287 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.720 5.374 1.332 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.046 4.804 2.374 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.425 4.084 2.523 1.00 0.00 H new ATOM 288 N GLU A 18 -6.621 1.963 4.192 1.00 0.00 N ATOM 289 CA GLU A 18 -5.889 2.624 5.263 1.00 0.00 C ATOM 290 C GLU A 18 -4.700 1.774 5.696 1.00 0.00 C ATOM 291 O GLU A 18 -3.619 2.294 5.975 1.00 0.00 O ATOM 292 CB GLU A 18 -6.808 2.889 6.456 1.00 0.00 C ATOM 293 CG GLU A 18 -6.933 4.360 6.816 1.00 0.00 C ATOM 294 CD GLU A 18 -7.758 5.138 5.808 1.00 0.00 C ATOM 295 OE1 GLU A 18 -8.632 4.526 5.159 1.00 0.00 O ATOM 296 OE2 GLU A 18 -7.528 6.357 5.669 1.00 0.00 O ATOM 0 H GLU A 18 -7.473 1.490 4.492 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.520 3.579 4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.799 2.493 6.235 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.432 2.343 7.321 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.389 4.452 7.802 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.938 4.800 6.883 1.00 0.00 H new ATOM 303 N ARG A 19 -4.906 0.461 5.739 1.00 0.00 N ATOM 304 CA ARG A 19 -3.849 -0.461 6.128 1.00 0.00 C ATOM 305 C ARG A 19 -2.826 -0.599 5.009 1.00 0.00 C ATOM 306 O ARG A 19 -1.654 -0.884 5.255 1.00 0.00 O ATOM 307 CB ARG A 19 -4.435 -1.831 6.475 1.00 0.00 C ATOM 308 CG ARG A 19 -3.419 -2.796 7.063 1.00 0.00 C ATOM 309 CD ARG A 19 -3.397 -4.113 6.305 1.00 0.00 C ATOM 310 NE ARG A 19 -2.622 -5.134 7.004 1.00 0.00 N ATOM 311 CZ ARG A 19 -2.123 -6.214 6.412 1.00 0.00 C ATOM 312 NH1 ARG A 19 -2.317 -6.411 5.115 1.00 0.00 N ATOM 313 NH2 ARG A 19 -1.429 -7.098 7.116 1.00 0.00 N ATOM 0 H ARG A 19 -5.794 0.014 5.509 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.351 -0.060 7.011 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.251 -1.698 7.185 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.864 -2.272 5.575 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.428 -2.343 7.036 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.656 -2.982 8.110 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.418 -4.467 6.163 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.975 -3.953 5.313 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.454 -5.011 8.003 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.850 -5.733 4.570 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.933 -7.241 4.662 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.277 -6.950 8.114 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.047 -7.926 6.660 1.00 0.00 H new ATOM 327 N LEU A 20 -3.275 -0.381 3.776 1.00 0.00 N ATOM 328 CA LEU A 20 -2.393 -0.469 2.624 1.00 0.00 C ATOM 329 C LEU A 20 -1.462 0.734 2.585 1.00 0.00 C ATOM 330 O LEU A 20 -0.271 0.601 2.312 1.00 0.00 O ATOM 331 CB LEU A 20 -3.206 -0.545 1.330 1.00 0.00 C ATOM 332 CG LEU A 20 -3.622 -1.956 0.909 1.00 0.00 C ATOM 333 CD1 LEU A 20 -4.798 -1.901 -0.053 1.00 0.00 C ATOM 334 CD2 LEU A 20 -2.449 -2.690 0.277 1.00 0.00 C ATOM 0 H LEU A 20 -4.241 -0.143 3.553 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.797 -1.377 2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.103 0.062 1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.622 -0.099 0.525 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.932 -2.504 1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.080 -2.914 -0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.643 -1.414 0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.515 -1.336 -0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.762 -3.692 -0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.109 -2.144 -0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.634 -2.761 0.997 1.00 0.00 H new ATOM 346 N GLN A 21 -2.016 1.910 2.869 1.00 0.00 N ATOM 347 CA GLN A 21 -1.235 3.140 2.875 1.00 0.00 C ATOM 348 C GLN A 21 -0.128 3.069 3.921 1.00 0.00 C ATOM 349 O GLN A 21 1.016 3.439 3.655 1.00 0.00 O ATOM 350 CB GLN A 21 -2.138 4.343 3.150 1.00 0.00 C ATOM 351 CG GLN A 21 -1.413 5.677 3.083 1.00 0.00 C ATOM 352 CD GLN A 21 -2.163 6.707 2.261 1.00 0.00 C ATOM 353 OE1 GLN A 21 -1.775 7.021 1.136 1.00 0.00 O ATOM 354 NE2 GLN A 21 -3.241 7.241 2.823 1.00 0.00 N ATOM 0 H GLN A 21 -3.002 2.035 3.098 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.778 3.259 1.892 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.954 4.346 2.428 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.586 4.232 4.137 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.269 6.059 4.094 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.422 5.527 2.654 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.526 6.950 3.758 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -3.785 7.942 2.319 1.00 0.00 H new ATOM 363 N LYS A 22 -0.474 2.587 5.111 1.00 0.00 N ATOM 364 CA LYS A 22 0.496 2.467 6.193 1.00 0.00 C ATOM 365 C LYS A 22 1.592 1.471 5.827 1.00 0.00 C ATOM 366 O LYS A 22 2.756 1.651 6.187 1.00 0.00 O ATOM 367 CB LYS A 22 -0.200 2.028 7.483 1.00 0.00 C ATOM 368 CG LYS A 22 0.481 2.535 8.744 1.00 0.00 C ATOM 369 CD LYS A 22 0.671 4.043 8.705 1.00 0.00 C ATOM 370 CE LYS A 22 2.127 4.415 8.481 1.00 0.00 C ATOM 371 NZ LYS A 22 2.742 5.012 9.699 1.00 0.00 N ATOM 0 H LYS A 22 -1.415 2.274 5.349 1.00 0.00 H new ATOM 0 HA LYS A 22 0.953 3.444 6.351 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.231 2.383 7.469 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.238 0.939 7.513 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.116 2.265 9.615 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.449 2.048 8.857 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.059 4.467 7.909 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.323 4.479 9.641 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.688 3.527 8.189 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.198 5.122 7.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.518 5.646 9.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.023 5.553 10.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.115 4.255 10.307 1.00 0.00 H new ATOM 385 N GLU A 23 1.211 0.419 5.110 1.00 0.00 N ATOM 386 CA GLU A 23 2.159 -0.608 4.694 1.00 0.00 C ATOM 387 C GLU A 23 3.173 -0.051 3.699 1.00 0.00 C ATOM 388 O GLU A 23 4.347 -0.427 3.719 1.00 0.00 O ATOM 389 CB GLU A 23 1.417 -1.792 4.072 1.00 0.00 C ATOM 390 CG GLU A 23 1.097 -2.899 5.064 1.00 0.00 C ATOM 391 CD GLU A 23 -0.187 -3.630 4.726 1.00 0.00 C ATOM 392 OE1 GLU A 23 -1.103 -2.993 4.164 1.00 0.00 O ATOM 393 OE2 GLU A 23 -0.279 -4.840 5.026 1.00 0.00 O ATOM 0 H GLU A 23 0.252 0.255 4.805 1.00 0.00 H new ATOM 0 HA GLU A 23 2.698 -0.946 5.579 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.488 -1.435 3.627 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.020 -2.204 3.263 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.922 -3.612 5.086 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.016 -2.474 6.064 1.00 0.00 H new ATOM 400 N ILE A 24 2.718 0.848 2.831 1.00 0.00 N ATOM 401 CA ILE A 24 3.600 1.448 1.835 1.00 0.00 C ATOM 402 C ILE A 24 4.663 2.309 2.522 1.00 0.00 C ATOM 403 O ILE A 24 5.835 2.290 2.145 1.00 0.00 O ATOM 404 CB ILE A 24 2.813 2.276 0.763 1.00 0.00 C ATOM 405 CG1 ILE A 24 2.720 3.767 1.123 1.00 0.00 C ATOM 406 CG2 ILE A 24 1.417 1.707 0.559 1.00 0.00 C ATOM 407 CD1 ILE A 24 3.961 4.548 0.744 1.00 0.00 C ATOM 0 H ILE A 24 1.752 1.175 2.797 1.00 0.00 H new ATOM 0 HA ILE A 24 4.093 0.636 1.301 1.00 0.00 H new ATOM 0 HB ILE A 24 3.377 2.196 -0.166 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.856 4.203 0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.549 3.866 2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.889 2.298 -0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.491 0.674 0.220 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.869 1.741 1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.833 5.594 1.024 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.824 4.136 1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.121 4.478 -0.332 1.00 0.00 H new ATOM 419 N GLU A 25 4.235 3.057 3.535 1.00 0.00 N ATOM 420 CA GLU A 25 5.138 3.921 4.285 1.00 0.00 C ATOM 421 C GLU A 25 6.265 3.103 4.905 1.00 0.00 C ATOM 422 O GLU A 25 7.430 3.494 4.850 1.00 0.00 O ATOM 423 CB GLU A 25 4.374 4.671 5.376 1.00 0.00 C ATOM 424 CG GLU A 25 4.568 6.178 5.328 1.00 0.00 C ATOM 425 CD GLU A 25 5.145 6.733 6.616 1.00 0.00 C ATOM 426 OE1 GLU A 25 4.463 6.644 7.659 1.00 0.00 O ATOM 427 OE2 GLU A 25 6.278 7.256 6.583 1.00 0.00 O ATOM 0 H GLU A 25 3.267 3.081 3.855 1.00 0.00 H new ATOM 0 HA GLU A 25 5.570 4.647 3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.311 4.447 5.284 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.694 4.303 6.351 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.230 6.429 4.500 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.610 6.658 5.127 1.00 0.00 H new ATOM 434 N ARG A 26 5.909 1.962 5.487 1.00 0.00 N ATOM 435 CA ARG A 26 6.895 1.087 6.108 1.00 0.00 C ATOM 436 C ARG A 26 7.979 0.716 5.103 1.00 0.00 C ATOM 437 O ARG A 26 9.172 0.831 5.388 1.00 0.00 O ATOM 438 CB ARG A 26 6.222 -0.178 6.644 1.00 0.00 C ATOM 439 CG ARG A 26 5.827 -0.082 8.109 1.00 0.00 C ATOM 440 CD ARG A 26 5.083 1.211 8.402 1.00 0.00 C ATOM 441 NE ARG A 26 4.253 1.107 9.598 1.00 0.00 N ATOM 442 CZ ARG A 26 4.728 1.206 10.835 1.00 0.00 C ATOM 443 NH1 ARG A 26 6.023 1.410 11.034 1.00 0.00 N ATOM 444 NH2 ARG A 26 3.910 1.100 11.872 1.00 0.00 N ATOM 0 H ARG A 26 4.948 1.623 5.541 1.00 0.00 H new ATOM 0 HA ARG A 26 7.354 1.619 6.941 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.333 -0.386 6.049 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.898 -1.023 6.513 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.199 -0.932 8.374 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.720 -0.139 8.732 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.801 2.021 8.529 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.457 1.470 7.548 1.00 0.00 H new ATOM 0 HE ARG A 26 3.252 0.950 9.478 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.655 1.491 10.237 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.387 1.486 11.984 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.914 0.942 11.722 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.277 1.176 12.821 1.00 0.00 H new ATOM 458 N HIS A 27 7.554 0.279 3.922 1.00 0.00 N ATOM 459 CA HIS A 27 8.487 -0.099 2.869 1.00 0.00 C ATOM 460 C HIS A 27 9.318 1.104 2.432 1.00 0.00 C ATOM 461 O HIS A 27 10.432 0.954 1.930 1.00 0.00 O ATOM 462 CB HIS A 27 7.733 -0.675 1.670 1.00 0.00 C ATOM 463 CG HIS A 27 7.782 -2.169 1.595 1.00 0.00 C ATOM 464 ND1 HIS A 27 8.751 -2.857 0.894 1.00 0.00 N ATOM 465 CD2 HIS A 27 6.975 -3.112 2.138 1.00 0.00 C ATOM 466 CE1 HIS A 27 8.537 -4.155 1.008 1.00 0.00 C ATOM 467 NE2 HIS A 27 7.467 -4.337 1.757 1.00 0.00 N ATOM 0 H HIS A 27 6.570 0.178 3.671 1.00 0.00 H new ATOM 0 HA HIS A 27 9.157 -0.862 3.265 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.692 -0.356 1.718 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.152 -0.259 0.754 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.107 -2.934 2.755 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.137 -4.935 0.563 1.00 0.00 H new ATOM 0 HE2 HIS A 27 7.069 -5.241 2.012 1.00 0.00 H new ATOM 476 N LYS A 28 8.767 2.299 2.629 1.00 0.00 N ATOM 477 CA LYS A 28 9.453 3.530 2.259 1.00 0.00 C ATOM 478 C LYS A 28 10.566 3.852 3.251 1.00 0.00 C ATOM 479 O LYS A 28 11.577 4.454 2.893 1.00 0.00 O ATOM 480 CB LYS A 28 8.462 4.693 2.194 1.00 0.00 C ATOM 481 CG LYS A 28 8.951 5.865 1.359 1.00 0.00 C ATOM 482 CD LYS A 28 9.810 6.814 2.180 1.00 0.00 C ATOM 483 CE LYS A 28 8.980 7.941 2.774 1.00 0.00 C ATOM 484 NZ LYS A 28 9.648 9.263 2.619 1.00 0.00 N ATOM 0 H LYS A 28 7.846 2.439 3.044 1.00 0.00 H new ATOM 0 HA LYS A 28 9.898 3.385 1.274 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.519 4.333 1.782 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.256 5.040 3.206 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.526 5.494 0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.096 6.406 0.953 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.302 6.261 2.981 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.596 7.232 1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.004 7.968 2.289 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.805 7.744 3.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.051 10.005 3.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.568 9.246 3.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.792 9.463 1.609 1.00 0.00 H new ATOM 498 N GLN A 29 10.372 3.445 4.502 1.00 0.00 N ATOM 499 CA GLN A 29 11.358 3.688 5.546 1.00 0.00 C ATOM 500 C GLN A 29 12.549 2.749 5.393 1.00 0.00 C ATOM 501 O GLN A 29 13.688 3.122 5.676 1.00 0.00 O ATOM 502 CB GLN A 29 10.726 3.509 6.928 1.00 0.00 C ATOM 503 CG GLN A 29 11.455 4.255 8.032 1.00 0.00 C ATOM 504 CD GLN A 29 10.507 4.941 8.997 1.00 0.00 C ATOM 505 OE1 GLN A 29 9.789 4.285 9.750 1.00 0.00 O ATOM 506 NE2 GLN A 29 10.501 6.269 8.977 1.00 0.00 N ATOM 0 H GLN A 29 9.540 2.945 4.816 1.00 0.00 H new ATOM 0 HA GLN A 29 11.710 4.715 5.448 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.692 3.851 6.892 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.703 2.447 7.173 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.085 3.557 8.582 1.00 0.00 H new ATOM 0 HG3 GLN A 29 12.116 4.999 7.588 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.114 6.772 8.335 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.884 6.786 9.603 1.00 0.00 H new ATOM 515 N SER A 30 12.278 1.529 4.942 1.00 0.00 N ATOM 516 CA SER A 30 13.330 0.537 4.749 1.00 0.00 C ATOM 517 C SER A 30 14.155 0.855 3.508 1.00 0.00 C ATOM 518 O SER A 30 15.378 0.720 3.513 1.00 0.00 O ATOM 519 CB SER A 30 12.724 -0.862 4.630 1.00 0.00 C ATOM 520 OG SER A 30 13.493 -1.815 5.343 1.00 0.00 O ATOM 0 H SER A 30 11.341 1.204 4.704 1.00 0.00 H new ATOM 0 HA SER A 30 13.988 0.567 5.617 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.704 -0.853 5.014 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.667 -1.149 3.580 1.00 0.00 H new ATOM 0 HG SER A 30 13.083 -2.700 5.252 1.00 0.00 H new ATOM 526 N ILE A 31 13.479 1.280 2.444 1.00 0.00 N ATOM 527 CA ILE A 31 14.152 1.621 1.197 1.00 0.00 C ATOM 528 C ILE A 31 14.883 2.953 1.321 1.00 0.00 C ATOM 529 O ILE A 31 15.867 3.200 0.622 1.00 0.00 O ATOM 530 CB ILE A 31 13.145 1.687 0.030 1.00 0.00 C ATOM 531 CG1 ILE A 31 13.830 2.118 -1.270 1.00 0.00 C ATOM 532 CG2 ILE A 31 12.005 2.633 0.369 1.00 0.00 C ATOM 533 CD1 ILE A 31 14.629 1.017 -1.926 1.00 0.00 C ATOM 0 H ILE A 31 12.466 1.396 2.422 1.00 0.00 H new ATOM 0 HA ILE A 31 14.881 0.837 0.990 1.00 0.00 H new ATOM 0 HB ILE A 31 12.739 0.687 -0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 31 13.073 2.472 -1.970 1.00 0.00 H new ATOM 0 HG13 ILE A 31 14.490 2.960 -1.061 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.303 2.669 -0.464 1.00 0.00 H new ATOM 0 HG22 ILE A 31 11.491 2.278 1.262 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.403 3.631 0.552 1.00 0.00 H new ATOM 0 HD11 ILE A 31 15.086 1.394 -2.841 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.409 0.678 -1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 31 13.970 0.183 -2.167 1.00 0.00 H new ATOM 545 N LYS A 32 14.402 3.805 2.218 1.00 0.00 N ATOM 546 CA LYS A 32 15.013 5.110 2.436 1.00 0.00 C ATOM 547 C LYS A 32 16.261 4.984 3.303 1.00 0.00 C ATOM 548 O LYS A 32 17.246 5.694 3.098 1.00 0.00 O ATOM 549 CB LYS A 32 14.014 6.064 3.093 1.00 0.00 C ATOM 550 CG LYS A 32 14.594 7.434 3.404 1.00 0.00 C ATOM 551 CD LYS A 32 14.323 7.840 4.842 1.00 0.00 C ATOM 552 CE LYS A 32 13.114 8.756 4.944 1.00 0.00 C ATOM 553 NZ LYS A 32 12.689 8.961 6.356 1.00 0.00 N ATOM 0 H LYS A 32 13.591 3.616 2.806 1.00 0.00 H new ATOM 0 HA LYS A 32 15.303 5.515 1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 32 13.153 6.184 2.435 1.00 0.00 H new ATOM 0 HB3 LYS A 32 13.649 5.615 4.017 1.00 0.00 H new ATOM 0 HG2 LYS A 32 15.669 7.424 3.224 1.00 0.00 H new ATOM 0 HG3 LYS A 32 14.164 8.174 2.729 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.158 6.949 5.448 1.00 0.00 H new ATOM 0 HD3 LYS A 32 15.199 8.345 5.250 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.350 9.720 4.493 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.288 8.331 4.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.862 9.591 6.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.439 8.045 6.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.468 9.390 6.894 1.00 0.00 H new ATOM 567 N LYS A 33 16.213 4.074 4.270 1.00 0.00 N ATOM 568 CA LYS A 33 17.343 3.852 5.165 1.00 0.00 C ATOM 569 C LYS A 33 18.414 3.010 4.483 1.00 0.00 C ATOM 570 O LYS A 33 19.598 3.114 4.802 1.00 0.00 O ATOM 571 CB LYS A 33 16.877 3.166 6.451 1.00 0.00 C ATOM 572 CG LYS A 33 18.006 2.865 7.423 1.00 0.00 C ATOM 573 CD LYS A 33 18.027 3.855 8.575 1.00 0.00 C ATOM 574 CE LYS A 33 17.793 3.164 9.909 1.00 0.00 C ATOM 575 NZ LYS A 33 16.469 3.515 10.492 1.00 0.00 N ATOM 0 H LYS A 33 15.405 3.479 4.454 1.00 0.00 H new ATOM 0 HA LYS A 33 17.773 4.821 5.417 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.142 3.801 6.946 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.372 2.235 6.194 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.892 1.854 7.813 1.00 0.00 H new ATOM 0 HG3 LYS A 33 18.960 2.898 6.896 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.987 4.371 8.595 1.00 0.00 H new ATOM 0 HD3 LYS A 33 17.260 4.614 8.418 1.00 0.00 H new ATOM 0 HE2 LYS A 33 17.855 2.084 9.774 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.582 3.444 10.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 16.348 3.024 11.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.418 4.542 10.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 15.714 3.224 9.839 1.00 0.00 H new ATOM 589 N LEU A 34 17.989 2.177 3.538 1.00 0.00 N ATOM 590 CA LEU A 34 18.910 1.318 2.805 1.00 0.00 C ATOM 591 C LEU A 34 19.614 2.100 1.702 1.00 0.00 C ATOM 592 O LEU A 34 20.760 1.813 1.358 1.00 0.00 O ATOM 593 CB LEU A 34 18.164 0.124 2.207 1.00 0.00 C ATOM 594 CG LEU A 34 18.395 -1.208 2.922 1.00 0.00 C ATOM 595 CD1 LEU A 34 17.225 -2.150 2.688 1.00 0.00 C ATOM 596 CD2 LEU A 34 19.695 -1.844 2.455 1.00 0.00 C ATOM 0 H LEU A 34 17.012 2.079 3.262 1.00 0.00 H new ATOM 0 HA LEU A 34 19.662 0.950 3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.096 0.342 2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.461 0.015 1.164 1.00 0.00 H new ATOM 0 HG LEU A 34 18.471 -1.016 3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 34 17.408 -3.092 3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 34 16.311 -1.697 3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 34 17.116 -2.337 1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 34 19.844 -2.791 2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.647 -2.022 1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 34 20.527 -1.175 2.675 1.00 0.00 H new ATOM 608 N LYS A 35 18.920 3.092 1.151 1.00 0.00 N ATOM 609 CA LYS A 35 19.481 3.915 0.087 1.00 0.00 C ATOM 610 C LYS A 35 20.460 4.938 0.653 1.00 0.00 C ATOM 611 O LYS A 35 21.471 5.257 0.029 1.00 0.00 O ATOM 612 CB LYS A 35 18.365 4.628 -0.679 1.00 0.00 C ATOM 613 CG LYS A 35 17.701 5.744 0.111 1.00 0.00 C ATOM 614 CD LYS A 35 16.725 6.531 -0.749 1.00 0.00 C ATOM 615 CE LYS A 35 17.436 7.604 -1.558 1.00 0.00 C ATOM 616 NZ LYS A 35 16.484 8.410 -2.369 1.00 0.00 N ATOM 0 H LYS A 35 17.970 3.344 1.424 1.00 0.00 H new ATOM 0 HA LYS A 35 20.020 3.262 -0.599 1.00 0.00 H new ATOM 0 HB2 LYS A 35 18.775 5.041 -1.601 1.00 0.00 H new ATOM 0 HB3 LYS A 35 17.609 3.897 -0.966 1.00 0.00 H new ATOM 0 HG2 LYS A 35 17.175 5.322 0.967 1.00 0.00 H new ATOM 0 HG3 LYS A 35 18.464 6.416 0.505 1.00 0.00 H new ATOM 0 HD2 LYS A 35 16.203 5.852 -1.423 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.970 6.993 -0.114 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.986 8.261 -0.885 1.00 0.00 H new ATOM 0 HE3 LYS A 35 18.168 7.137 -2.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.008 9.130 -2.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.977 7.787 -3.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.800 8.877 -1.739 1.00 0.00 H new ATOM 630 N GLN A 36 20.154 5.447 1.843 1.00 0.00 N ATOM 631 CA GLN A 36 21.010 6.431 2.494 1.00 0.00 C ATOM 632 C GLN A 36 22.223 5.757 3.125 1.00 0.00 C ATOM 633 O GLN A 36 23.295 6.355 3.229 1.00 0.00 O ATOM 634 CB GLN A 36 20.224 7.198 3.560 1.00 0.00 C ATOM 635 CG GLN A 36 20.934 8.447 4.057 1.00 0.00 C ATOM 636 CD GLN A 36 20.452 9.706 3.365 1.00 0.00 C ATOM 637 OE1 GLN A 36 20.912 10.044 2.275 1.00 0.00 O ATOM 638 NE2 GLN A 36 19.519 10.409 3.997 1.00 0.00 N ATOM 0 H GLN A 36 19.321 5.194 2.375 1.00 0.00 H new ATOM 0 HA GLN A 36 21.358 7.134 1.737 1.00 0.00 H new ATOM 0 HB2 GLN A 36 19.253 7.480 3.152 1.00 0.00 H new ATOM 0 HB3 GLN A 36 20.034 6.537 4.406 1.00 0.00 H new ATOM 0 HG2 GLN A 36 20.779 8.545 5.131 1.00 0.00 H new ATOM 0 HG3 GLN A 36 22.007 8.338 3.899 1.00 0.00 H new ATOM 0 HE21 GLN A 36 19.166 10.092 4.900 1.00 0.00 H new ATOM 0 HE22 GLN A 36 19.156 11.266 3.580 1.00 0.00 H new ATOM 647 N SER A 37 22.048 4.508 3.543 1.00 0.00 N ATOM 648 CA SER A 37 23.129 3.751 4.161 1.00 0.00 C ATOM 649 C SER A 37 24.099 3.234 3.104 1.00 0.00 C ATOM 650 O SER A 37 25.279 3.020 3.381 1.00 0.00 O ATOM 651 CB SER A 37 22.563 2.579 4.967 1.00 0.00 C ATOM 652 OG SER A 37 23.502 2.118 5.924 1.00 0.00 O ATOM 0 H SER A 37 21.168 3.999 3.465 1.00 0.00 H new ATOM 0 HA SER A 37 23.670 4.417 4.833 1.00 0.00 H new ATOM 0 HB2 SER A 37 21.647 2.889 5.471 1.00 0.00 H new ATOM 0 HB3 SER A 37 22.296 1.765 4.293 1.00 0.00 H new ATOM 0 HG SER A 37 23.116 1.370 6.427 1.00 0.00 H new ATOM 658 N GLU A 38 23.593 3.038 1.890 1.00 0.00 N ATOM 659 CA GLU A 38 24.415 2.550 0.791 1.00 0.00 C ATOM 660 C GLU A 38 25.342 3.647 0.277 1.00 0.00 C ATOM 661 O GLU A 38 26.424 3.368 -0.242 1.00 0.00 O ATOM 662 CB GLU A 38 23.531 2.038 -0.348 1.00 0.00 C ATOM 663 CG GLU A 38 23.868 0.623 -0.792 1.00 0.00 C ATOM 664 CD GLU A 38 23.812 0.456 -2.297 1.00 0.00 C ATOM 665 OE1 GLU A 38 22.880 1.005 -2.921 1.00 0.00 O ATOM 666 OE2 GLU A 38 24.700 -0.224 -2.853 1.00 0.00 O ATOM 0 H GLU A 38 22.618 3.210 1.644 1.00 0.00 H new ATOM 0 HA GLU A 38 25.026 1.728 1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 38 22.489 2.072 -0.031 1.00 0.00 H new ATOM 0 HB3 GLU A 38 23.627 2.710 -1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 38 24.866 0.363 -0.438 1.00 0.00 H new ATOM 0 HG3 GLU A 38 23.173 -0.075 -0.326 1.00 0.00 H new ATOM 673 N ASP A 39 24.911 4.895 0.425 1.00 0.00 N ATOM 674 CA ASP A 39 25.703 6.035 -0.022 1.00 0.00 C ATOM 675 C ASP A 39 26.906 6.253 0.889 1.00 0.00 C ATOM 676 O ASP A 39 27.918 6.818 0.473 1.00 0.00 O ATOM 677 CB ASP A 39 24.841 7.298 -0.059 1.00 0.00 C ATOM 678 CG ASP A 39 24.806 7.935 -1.435 1.00 0.00 C ATOM 679 OD1 ASP A 39 25.814 8.561 -1.825 1.00 0.00 O ATOM 680 OD2 ASP A 39 23.770 7.806 -2.122 1.00 0.00 O ATOM 0 H ASP A 39 24.018 5.143 0.851 1.00 0.00 H new ATOM 0 HA ASP A 39 26.066 5.821 -1.027 1.00 0.00 H new ATOM 0 HB2 ASP A 39 23.825 7.050 0.250 1.00 0.00 H new ATOM 0 HB3 ASP A 39 25.226 8.019 0.662 1.00 0.00 H new ATOM 685 N ASP A 40 26.790 5.801 2.134 1.00 0.00 N ATOM 686 CA ASP A 40 27.870 5.947 3.104 1.00 0.00 C ATOM 687 C ASP A 40 28.867 4.800 2.984 1.00 0.00 C ATOM 688 O ASP A 40 30.073 4.995 3.139 1.00 0.00 O ATOM 689 CB ASP A 40 27.303 6.001 4.523 1.00 0.00 C ATOM 690 CG ASP A 40 28.389 6.122 5.576 1.00 0.00 C ATOM 691 OD1 ASP A 40 28.829 7.259 5.844 1.00 0.00 O ATOM 692 OD2 ASP A 40 28.799 5.080 6.129 1.00 0.00 O ATOM 0 H ASP A 40 25.960 5.331 2.495 1.00 0.00 H new ATOM 0 HA ASP A 40 28.392 6.880 2.893 1.00 0.00 H new ATOM 0 HB2 ASP A 40 26.623 6.849 4.607 1.00 0.00 H new ATOM 0 HB3 ASP A 40 26.717 5.102 4.711 1.00 0.00 H new ATOM 697 N ASP A 41 28.357 3.604 2.709 1.00 0.00 N ATOM 698 CA ASP A 41 29.204 2.425 2.569 1.00 0.00 C ATOM 699 C ASP A 41 29.790 2.014 3.915 1.00 0.00 C ATOM 700 O ASP A 41 29.463 2.669 4.928 1.00 0.00 O ATOM 701 CB ASP A 41 30.330 2.697 1.569 1.00 0.00 C ATOM 702 CG ASP A 41 30.739 1.451 0.809 1.00 0.00 C ATOM 703 OD1 ASP A 41 30.839 0.377 1.439 1.00 0.00 O ATOM 704 OD2 ASP A 41 30.961 1.549 -0.417 1.00 0.00 O ATOM 705 OXT ASP A 41 30.572 1.041 3.946 1.00 0.00 O ATOM 0 H ASP A 41 27.361 3.426 2.579 1.00 0.00 H new ATOM 0 HA ASP A 41 28.588 1.606 2.197 1.00 0.00 H new ATOM 0 HB2 ASP A 41 30.008 3.462 0.862 1.00 0.00 H new ATOM 0 HB3 ASP A 41 31.195 3.097 2.099 1.00 0.00 H new TER 710 ASP A 41 ATOM 711 N ALA B 1 32.774 -11.898 0.125 1.00 0.00 N ATOM 712 CA ALA B 1 31.578 -11.377 0.838 1.00 0.00 C ATOM 713 C ALA B 1 31.011 -10.151 0.132 1.00 0.00 C ATOM 714 O ALA B 1 30.780 -9.115 0.754 1.00 0.00 O ATOM 715 CB ALA B 1 31.932 -11.039 2.279 1.00 0.00 C ATOM 0 H1 ALA B 1 33.141 -12.732 0.626 1.00 0.00 H new ATOM 0 H2 ALA B 1 32.511 -12.164 -0.845 1.00 0.00 H new ATOM 0 H3 ALA B 1 33.508 -11.162 0.095 1.00 0.00 H new ATOM 0 HA ALA B 1 30.814 -12.154 0.833 1.00 0.00 H new ATOM 0 HB1 ALA B 1 31.048 -10.658 2.791 1.00 0.00 H new ATOM 0 HB2 ALA B 1 32.287 -11.936 2.786 1.00 0.00 H new ATOM 0 HB3 ALA B 1 32.714 -10.280 2.293 1.00 0.00 H new ATOM 723 N LEU B 2 30.787 -10.277 -1.172 1.00 0.00 N ATOM 724 CA LEU B 2 30.245 -9.178 -1.964 1.00 0.00 C ATOM 725 C LEU B 2 28.926 -8.685 -1.379 1.00 0.00 C ATOM 726 O LEU B 2 28.114 -9.477 -0.899 1.00 0.00 O ATOM 727 CB LEU B 2 30.040 -9.619 -3.414 1.00 0.00 C ATOM 728 CG LEU B 2 31.292 -10.155 -4.111 1.00 0.00 C ATOM 729 CD1 LEU B 2 30.935 -11.305 -5.039 1.00 0.00 C ATOM 730 CD2 LEU B 2 31.989 -9.042 -4.881 1.00 0.00 C ATOM 0 H LEU B 2 30.972 -11.128 -1.703 1.00 0.00 H new ATOM 0 HA LEU B 2 30.962 -8.357 -1.939 1.00 0.00 H new ATOM 0 HB2 LEU B 2 29.271 -10.391 -3.438 1.00 0.00 H new ATOM 0 HB3 LEU B 2 29.659 -8.772 -3.985 1.00 0.00 H new ATOM 0 HG LEU B 2 31.977 -10.529 -3.350 1.00 0.00 H new ATOM 0 HD11 LEU B 2 31.838 -11.673 -5.526 1.00 0.00 H new ATOM 0 HD12 LEU B 2 30.480 -12.110 -4.462 1.00 0.00 H new ATOM 0 HD13 LEU B 2 30.231 -10.957 -5.795 1.00 0.00 H new ATOM 0 HD21 LEU B 2 32.878 -9.440 -5.371 1.00 0.00 H new ATOM 0 HD22 LEU B 2 31.310 -8.639 -5.632 1.00 0.00 H new ATOM 0 HD23 LEU B 2 32.279 -8.249 -4.192 1.00 0.00 H new ATOM 742 N LYS B 3 28.718 -7.373 -1.422 1.00 0.00 N ATOM 743 CA LYS B 3 27.497 -6.775 -0.896 1.00 0.00 C ATOM 744 C LYS B 3 26.475 -6.558 -2.007 1.00 0.00 C ATOM 745 O LYS B 3 25.631 -5.665 -1.924 1.00 0.00 O ATOM 746 CB LYS B 3 27.810 -5.444 -0.209 1.00 0.00 C ATOM 747 CG LYS B 3 27.389 -5.398 1.250 1.00 0.00 C ATOM 748 CD LYS B 3 28.366 -6.154 2.136 1.00 0.00 C ATOM 749 CE LYS B 3 27.980 -7.618 2.270 1.00 0.00 C ATOM 750 NZ LYS B 3 27.822 -8.022 3.695 1.00 0.00 N ATOM 0 H LYS B 3 29.380 -6.704 -1.816 1.00 0.00 H new ATOM 0 HA LYS B 3 27.072 -7.462 -0.165 1.00 0.00 H new ATOM 0 HB2 LYS B 3 28.881 -5.254 -0.275 1.00 0.00 H new ATOM 0 HB3 LYS B 3 27.309 -4.640 -0.748 1.00 0.00 H new ATOM 0 HG2 LYS B 3 27.326 -4.361 1.579 1.00 0.00 H new ATOM 0 HG3 LYS B 3 26.393 -5.827 1.356 1.00 0.00 H new ATOM 0 HD2 LYS B 3 29.370 -6.078 1.719 1.00 0.00 H new ATOM 0 HD3 LYS B 3 28.395 -5.693 3.123 1.00 0.00 H new ATOM 0 HE2 LYS B 3 27.047 -7.798 1.736 1.00 0.00 H new ATOM 0 HE3 LYS B 3 28.742 -8.239 1.799 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 27.559 -9.027 3.744 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 28.720 -7.874 4.199 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 27.077 -7.447 4.138 1.00 0.00 H new ATOM 764 N LYS B 4 26.556 -7.380 -3.048 1.00 0.00 N ATOM 765 CA LYS B 4 25.638 -7.279 -4.176 1.00 0.00 C ATOM 766 C LYS B 4 24.215 -7.623 -3.751 1.00 0.00 C ATOM 767 O LYS B 4 23.248 -7.087 -4.293 1.00 0.00 O ATOM 768 CB LYS B 4 26.083 -8.206 -5.309 1.00 0.00 C ATOM 769 CG LYS B 4 25.968 -9.682 -4.966 1.00 0.00 C ATOM 770 CD LYS B 4 24.869 -10.357 -5.771 1.00 0.00 C ATOM 771 CE LYS B 4 23.669 -10.695 -4.900 1.00 0.00 C ATOM 772 NZ LYS B 4 22.888 -11.837 -5.451 1.00 0.00 N ATOM 0 H LYS B 4 27.249 -8.124 -3.134 1.00 0.00 H new ATOM 0 HA LYS B 4 25.653 -6.249 -4.533 1.00 0.00 H new ATOM 0 HB2 LYS B 4 25.482 -7.999 -6.194 1.00 0.00 H new ATOM 0 HB3 LYS B 4 27.118 -7.981 -5.567 1.00 0.00 H new ATOM 0 HG2 LYS B 4 26.919 -10.177 -5.161 1.00 0.00 H new ATOM 0 HG3 LYS B 4 25.762 -9.794 -3.902 1.00 0.00 H new ATOM 0 HD2 LYS B 4 24.557 -9.702 -6.584 1.00 0.00 H new ATOM 0 HD3 LYS B 4 25.257 -11.268 -6.227 1.00 0.00 H new ATOM 0 HE2 LYS B 4 24.008 -10.939 -3.893 1.00 0.00 H new ATOM 0 HE3 LYS B 4 23.024 -9.821 -4.816 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 22.079 -12.036 -4.829 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 22.543 -11.595 -6.402 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 23.497 -12.678 -5.508 1.00 0.00 H new ATOM 786 N HIS B 5 24.094 -8.520 -2.779 1.00 0.00 N ATOM 787 CA HIS B 5 22.788 -8.935 -2.280 1.00 0.00 C ATOM 788 C HIS B 5 22.013 -7.743 -1.727 1.00 0.00 C ATOM 789 O HIS B 5 20.786 -7.698 -1.802 1.00 0.00 O ATOM 790 CB HIS B 5 22.947 -10.003 -1.196 1.00 0.00 C ATOM 791 CG HIS B 5 23.880 -9.603 -0.096 1.00 0.00 C ATOM 792 ND1 HIS B 5 25.040 -10.292 0.196 1.00 0.00 N ATOM 793 CD2 HIS B 5 23.822 -8.577 0.787 1.00 0.00 C ATOM 794 CE1 HIS B 5 25.653 -9.708 1.210 1.00 0.00 C ATOM 795 NE2 HIS B 5 24.935 -8.666 1.586 1.00 0.00 N ATOM 0 H HIS B 5 24.884 -8.974 -2.321 1.00 0.00 H new ATOM 0 HA HIS B 5 22.226 -9.356 -3.114 1.00 0.00 H new ATOM 0 HB2 HIS B 5 21.969 -10.225 -0.769 1.00 0.00 H new ATOM 0 HB3 HIS B 5 23.311 -10.923 -1.654 1.00 0.00 H new ATOM 0 HD1 HIS B 5 25.372 -11.122 -0.295 1.00 0.00 H new ATOM 0 HD2 HIS B 5 23.046 -7.829 0.850 1.00 0.00 H new ATOM 0 HE1 HIS B 5 26.583 -10.028 1.656 1.00 0.00 H new ATOM 804 N HIS B 6 22.740 -6.780 -1.170 1.00 0.00 N ATOM 805 CA HIS B 6 22.121 -5.587 -0.604 1.00 0.00 C ATOM 806 C HIS B 6 21.437 -4.762 -1.689 1.00 0.00 C ATOM 807 O HIS B 6 20.241 -4.487 -1.609 1.00 0.00 O ATOM 808 CB HIS B 6 23.169 -4.735 0.117 1.00 0.00 C ATOM 809 CG HIS B 6 22.926 -4.607 1.588 1.00 0.00 C ATOM 810 ND1 HIS B 6 22.393 -5.623 2.355 1.00 0.00 N ATOM 811 CD2 HIS B 6 23.146 -3.575 2.436 1.00 0.00 C ATOM 812 CE1 HIS B 6 22.296 -5.220 3.610 1.00 0.00 C ATOM 813 NE2 HIS B 6 22.747 -3.982 3.685 1.00 0.00 N ATOM 0 H HIS B 6 23.757 -6.802 -1.098 1.00 0.00 H new ATOM 0 HA HIS B 6 21.366 -5.906 0.115 1.00 0.00 H new ATOM 0 HB2 HIS B 6 24.154 -5.173 -0.044 1.00 0.00 H new ATOM 0 HB3 HIS B 6 23.186 -3.740 -0.328 1.00 0.00 H new ATOM 0 HD2 HIS B 6 23.559 -2.611 2.178 1.00 0.00 H new ATOM 0 HE1 HIS B 6 21.913 -5.804 4.434 1.00 0.00 H new ATOM 0 HE2 HIS B 6 22.792 -3.418 4.534 1.00 0.00 H new ATOM 822 N GLU B 7 22.202 -4.374 -2.704 1.00 0.00 N ATOM 823 CA GLU B 7 21.665 -3.584 -3.805 1.00 0.00 C ATOM 824 C GLU B 7 20.408 -4.233 -4.373 1.00 0.00 C ATOM 825 O GLU B 7 19.555 -3.558 -4.950 1.00 0.00 O ATOM 826 CB GLU B 7 22.714 -3.423 -4.907 1.00 0.00 C ATOM 827 CG GLU B 7 22.200 -2.684 -6.132 1.00 0.00 C ATOM 828 CD GLU B 7 21.838 -3.621 -7.268 1.00 0.00 C ATOM 829 OE1 GLU B 7 21.150 -4.631 -7.007 1.00 0.00 O ATOM 830 OE2 GLU B 7 22.240 -3.344 -8.418 1.00 0.00 O ATOM 0 H GLU B 7 23.195 -4.594 -2.787 1.00 0.00 H new ATOM 0 HA GLU B 7 21.403 -2.599 -3.419 1.00 0.00 H new ATOM 0 HB2 GLU B 7 23.573 -2.887 -4.504 1.00 0.00 H new ATOM 0 HB3 GLU B 7 23.066 -4.409 -5.209 1.00 0.00 H new ATOM 0 HG2 GLU B 7 21.324 -2.097 -5.857 1.00 0.00 H new ATOM 0 HG3 GLU B 7 22.960 -1.981 -6.474 1.00 0.00 H new ATOM 837 N ASN B 8 20.295 -5.546 -4.199 1.00 0.00 N ATOM 838 CA ASN B 8 19.137 -6.283 -4.689 1.00 0.00 C ATOM 839 C ASN B 8 17.905 -5.946 -3.861 1.00 0.00 C ATOM 840 O ASN B 8 16.909 -5.449 -4.388 1.00 0.00 O ATOM 841 CB ASN B 8 19.404 -7.789 -4.644 1.00 0.00 C ATOM 842 CG ASN B 8 19.699 -8.366 -6.014 1.00 0.00 C ATOM 843 OD1 ASN B 8 20.144 -7.656 -6.916 1.00 0.00 O ATOM 844 ND2 ASN B 8 19.451 -9.660 -6.178 1.00 0.00 N ATOM 0 H ASN B 8 20.991 -6.120 -3.723 1.00 0.00 H new ATOM 0 HA ASN B 8 18.955 -5.991 -5.723 1.00 0.00 H new ATOM 0 HB2 ASN B 8 20.246 -7.986 -3.981 1.00 0.00 H new ATOM 0 HB3 ASN B 8 18.538 -8.296 -4.218 1.00 0.00 H new ATOM 0 HD21 ASN B 8 19.629 -10.103 -7.079 1.00 0.00 H new ATOM 0 HD22 ASN B 8 19.082 -10.211 -5.403 1.00 0.00 H new ATOM 851 N GLU B 9 17.983 -6.201 -2.560 1.00 0.00 N ATOM 852 CA GLU B 9 16.875 -5.904 -1.661 1.00 0.00 C ATOM 853 C GLU B 9 16.502 -4.427 -1.748 1.00 0.00 C ATOM 854 O GLU B 9 15.390 -4.037 -1.392 1.00 0.00 O ATOM 855 CB GLU B 9 17.245 -6.266 -0.222 1.00 0.00 C ATOM 856 CG GLU B 9 16.812 -7.664 0.188 1.00 0.00 C ATOM 857 CD GLU B 9 15.354 -7.940 -0.127 1.00 0.00 C ATOM 858 OE1 GLU B 9 15.060 -8.335 -1.275 1.00 0.00 O ATOM 859 OE2 GLU B 9 14.508 -7.762 0.774 1.00 0.00 O ATOM 0 H GLU B 9 18.799 -6.611 -2.106 1.00 0.00 H new ATOM 0 HA GLU B 9 16.016 -6.502 -1.964 1.00 0.00 H new ATOM 0 HB2 GLU B 9 18.325 -6.180 -0.101 1.00 0.00 H new ATOM 0 HB3 GLU B 9 16.790 -5.542 0.454 1.00 0.00 H new ATOM 0 HG2 GLU B 9 17.435 -8.398 -0.323 1.00 0.00 H new ATOM 0 HG3 GLU B 9 16.979 -7.793 1.257 1.00 0.00 H new ATOM 866 N ILE B 10 17.440 -3.610 -2.221 1.00 0.00 N ATOM 867 CA ILE B 10 17.217 -2.179 -2.356 1.00 0.00 C ATOM 868 C ILE B 10 16.237 -1.890 -3.501 1.00 0.00 C ATOM 869 O ILE B 10 15.249 -1.179 -3.322 1.00 0.00 O ATOM 870 CB ILE B 10 18.583 -1.436 -2.547 1.00 0.00 C ATOM 871 CG1 ILE B 10 18.785 -0.411 -1.432 1.00 0.00 C ATOM 872 CG2 ILE B 10 18.731 -0.764 -3.915 1.00 0.00 C ATOM 873 CD1 ILE B 10 20.136 -0.523 -0.758 1.00 0.00 C ATOM 0 H ILE B 10 18.365 -3.920 -2.518 1.00 0.00 H new ATOM 0 HA ILE B 10 16.761 -1.800 -1.441 1.00 0.00 H new ATOM 0 HB ILE B 10 19.358 -2.201 -2.497 1.00 0.00 H new ATOM 0 HG12 ILE B 10 18.674 0.592 -1.844 1.00 0.00 H new ATOM 0 HG13 ILE B 10 18.002 -0.537 -0.685 1.00 0.00 H new ATOM 0 HG21 ILE B 10 19.701 -0.270 -3.975 1.00 0.00 H new ATOM 0 HG22 ILE B 10 18.658 -1.517 -4.700 1.00 0.00 H new ATOM 0 HG23 ILE B 10 17.939 -0.026 -4.046 1.00 0.00 H new ATOM 0 HD11 ILE B 10 20.216 0.232 0.024 1.00 0.00 H new ATOM 0 HD12 ILE B 10 20.242 -1.514 -0.317 1.00 0.00 H new ATOM 0 HD13 ILE B 10 20.924 -0.368 -1.495 1.00 0.00 H new ATOM 885 N SER B 11 16.526 -2.448 -4.673 1.00 0.00 N ATOM 886 CA SER B 11 15.680 -2.251 -5.842 1.00 0.00 C ATOM 887 C SER B 11 14.288 -2.834 -5.616 1.00 0.00 C ATOM 888 O SER B 11 13.309 -2.378 -6.208 1.00 0.00 O ATOM 889 CB SER B 11 16.319 -2.893 -7.075 1.00 0.00 C ATOM 890 OG SER B 11 15.837 -2.299 -8.268 1.00 0.00 O ATOM 0 H SER B 11 17.340 -3.040 -4.837 1.00 0.00 H new ATOM 0 HA SER B 11 15.581 -1.178 -6.008 1.00 0.00 H new ATOM 0 HB2 SER B 11 17.403 -2.786 -7.024 1.00 0.00 H new ATOM 0 HB3 SER B 11 16.104 -3.962 -7.085 1.00 0.00 H new ATOM 0 HG SER B 11 16.262 -2.726 -9.041 1.00 0.00 H new ATOM 896 N HIS B 12 14.207 -3.844 -4.757 1.00 0.00 N ATOM 897 CA HIS B 12 12.934 -4.486 -4.459 1.00 0.00 C ATOM 898 C HIS B 12 12.085 -3.593 -3.549 1.00 0.00 C ATOM 899 O HIS B 12 10.885 -3.434 -3.770 1.00 0.00 O ATOM 900 CB HIS B 12 13.189 -5.888 -3.854 1.00 0.00 C ATOM 901 CG HIS B 12 12.450 -6.201 -2.582 1.00 0.00 C ATOM 902 ND1 HIS B 12 11.099 -6.478 -2.541 1.00 0.00 N ATOM 903 CD2 HIS B 12 12.889 -6.281 -1.306 1.00 0.00 C ATOM 904 CE1 HIS B 12 10.740 -6.714 -1.291 1.00 0.00 C ATOM 905 NE2 HIS B 12 11.807 -6.601 -0.524 1.00 0.00 N ATOM 0 H HIS B 12 15.006 -4.234 -4.257 1.00 0.00 H new ATOM 0 HA HIS B 12 12.364 -4.625 -5.377 1.00 0.00 H new ATOM 0 HB2 HIS B 12 12.923 -6.637 -4.599 1.00 0.00 H new ATOM 0 HB3 HIS B 12 14.257 -5.992 -3.665 1.00 0.00 H new ATOM 0 HD2 HIS B 12 13.902 -6.123 -0.965 1.00 0.00 H new ATOM 0 HE1 HIS B 12 9.743 -6.958 -0.955 1.00 0.00 H new ATOM 0 HE2 HIS B 12 11.825 -6.731 0.488 1.00 0.00 H new ATOM 914 N HIS B 13 12.713 -3.003 -2.535 1.00 0.00 N ATOM 915 CA HIS B 13 12.000 -2.123 -1.617 1.00 0.00 C ATOM 916 C HIS B 13 11.510 -0.880 -2.349 1.00 0.00 C ATOM 917 O HIS B 13 10.531 -0.256 -1.943 1.00 0.00 O ATOM 918 CB HIS B 13 12.893 -1.706 -0.448 1.00 0.00 C ATOM 919 CG HIS B 13 13.521 -2.847 0.282 1.00 0.00 C ATOM 920 ND1 HIS B 13 12.932 -4.087 0.407 1.00 0.00 N ATOM 921 CD2 HIS B 13 14.699 -2.923 0.941 1.00 0.00 C ATOM 922 CE1 HIS B 13 13.722 -4.877 1.116 1.00 0.00 C ATOM 923 NE2 HIS B 13 14.800 -4.193 1.450 1.00 0.00 N ATOM 0 H HIS B 13 13.706 -3.118 -2.330 1.00 0.00 H new ATOM 0 HA HIS B 13 11.146 -2.674 -1.224 1.00 0.00 H new ATOM 0 HB2 HIS B 13 13.680 -1.052 -0.823 1.00 0.00 H new ATOM 0 HB3 HIS B 13 12.301 -1.121 0.256 1.00 0.00 H new ATOM 0 HD1 HIS B 13 12.029 -4.354 0.015 1.00 0.00 H new ATOM 0 HD2 HIS B 13 15.426 -2.131 1.047 1.00 0.00 H new ATOM 0 HE1 HIS B 13 13.519 -5.905 1.377 1.00 0.00 H new ATOM 932 N ALA B 14 12.198 -0.526 -3.432 1.00 0.00 N ATOM 933 CA ALA B 14 11.829 0.640 -4.221 1.00 0.00 C ATOM 934 C ALA B 14 10.538 0.380 -4.981 1.00 0.00 C ATOM 935 O ALA B 14 9.574 1.137 -4.867 1.00 0.00 O ATOM 936 CB ALA B 14 12.950 1.007 -5.183 1.00 0.00 C ATOM 0 H ALA B 14 13.013 -1.031 -3.781 1.00 0.00 H new ATOM 0 HA ALA B 14 11.667 1.479 -3.544 1.00 0.00 H new ATOM 0 HB1 ALA B 14 12.658 1.881 -5.765 1.00 0.00 H new ATOM 0 HB2 ALA B 14 13.855 1.233 -4.618 1.00 0.00 H new ATOM 0 HB3 ALA B 14 13.141 0.170 -5.855 1.00 0.00 H new ATOM 942 N LYS B 15 10.520 -0.707 -5.743 1.00 0.00 N ATOM 943 CA LYS B 15 9.339 -1.079 -6.506 1.00 0.00 C ATOM 944 C LYS B 15 8.213 -1.524 -5.573 1.00 0.00 C ATOM 945 O LYS B 15 7.055 -1.606 -5.981 1.00 0.00 O ATOM 946 CB LYS B 15 9.672 -2.198 -7.494 1.00 0.00 C ATOM 947 CG LYS B 15 9.607 -1.764 -8.949 1.00 0.00 C ATOM 948 CD LYS B 15 10.520 -0.579 -9.218 1.00 0.00 C ATOM 949 CE LYS B 15 10.237 0.046 -10.575 1.00 0.00 C ATOM 950 NZ LYS B 15 11.474 0.183 -11.393 1.00 0.00 N ATOM 0 H LYS B 15 11.309 -1.344 -5.848 1.00 0.00 H new ATOM 0 HA LYS B 15 9.005 -0.204 -7.064 1.00 0.00 H new ATOM 0 HB2 LYS B 15 10.672 -2.574 -7.280 1.00 0.00 H new ATOM 0 HB3 LYS B 15 8.980 -3.026 -7.339 1.00 0.00 H new ATOM 0 HG2 LYS B 15 9.892 -2.597 -9.591 1.00 0.00 H new ATOM 0 HG3 LYS B 15 8.581 -1.500 -9.206 1.00 0.00 H new ATOM 0 HD2 LYS B 15 10.386 0.169 -8.437 1.00 0.00 H new ATOM 0 HD3 LYS B 15 11.560 -0.903 -9.175 1.00 0.00 H new ATOM 0 HE2 LYS B 15 9.513 -0.566 -11.112 1.00 0.00 H new ATOM 0 HE3 LYS B 15 9.784 1.027 -10.435 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 11.238 0.613 -12.310 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 12.156 0.788 -10.892 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 11.893 -0.756 -11.549 1.00 0.00 H new ATOM 964 N GLU B 16 8.560 -1.812 -4.317 1.00 0.00 N ATOM 965 CA GLU B 16 7.576 -2.246 -3.336 1.00 0.00 C ATOM 966 C GLU B 16 6.878 -1.050 -2.696 1.00 0.00 C ATOM 967 O GLU B 16 5.694 -1.116 -2.377 1.00 0.00 O ATOM 968 CB GLU B 16 8.242 -3.102 -2.257 1.00 0.00 C ATOM 969 CG GLU B 16 8.141 -4.596 -2.519 1.00 0.00 C ATOM 970 CD GLU B 16 6.719 -5.047 -2.789 1.00 0.00 C ATOM 971 OE1 GLU B 16 5.782 -4.363 -2.327 1.00 0.00 O ATOM 972 OE2 GLU B 16 6.542 -6.083 -3.465 1.00 0.00 O ATOM 0 H GLU B 16 9.514 -1.751 -3.960 1.00 0.00 H new ATOM 0 HA GLU B 16 6.826 -2.845 -3.853 1.00 0.00 H new ATOM 0 HB2 GLU B 16 9.293 -2.825 -2.182 1.00 0.00 H new ATOM 0 HB3 GLU B 16 7.784 -2.879 -1.293 1.00 0.00 H new ATOM 0 HG2 GLU B 16 8.768 -4.854 -3.372 1.00 0.00 H new ATOM 0 HG3 GLU B 16 8.533 -5.139 -1.659 1.00 0.00 H new ATOM 979 N ILE B 17 7.614 0.044 -2.513 1.00 0.00 N ATOM 980 CA ILE B 17 7.043 1.246 -1.917 1.00 0.00 C ATOM 981 C ILE B 17 6.190 1.992 -2.935 1.00 0.00 C ATOM 982 O ILE B 17 5.157 2.568 -2.593 1.00 0.00 O ATOM 983 CB ILE B 17 8.140 2.183 -1.367 1.00 0.00 C ATOM 984 CG1 ILE B 17 7.519 3.462 -0.787 1.00 0.00 C ATOM 985 CG2 ILE B 17 9.158 2.511 -2.452 1.00 0.00 C ATOM 986 CD1 ILE B 17 7.152 4.506 -1.824 1.00 0.00 C ATOM 0 H ILE B 17 8.599 0.122 -2.767 1.00 0.00 H new ATOM 0 HA ILE B 17 6.416 0.931 -1.083 1.00 0.00 H new ATOM 0 HB ILE B 17 8.662 1.668 -0.561 1.00 0.00 H new ATOM 0 HG12 ILE B 17 6.624 3.194 -0.226 1.00 0.00 H new ATOM 0 HG13 ILE B 17 8.220 3.902 -0.078 1.00 0.00 H new ATOM 0 HG21 ILE B 17 9.923 3.172 -2.045 1.00 0.00 H new ATOM 0 HG22 ILE B 17 9.624 1.591 -2.804 1.00 0.00 H new ATOM 0 HG23 ILE B 17 8.656 3.005 -3.284 1.00 0.00 H new ATOM 0 HD11 ILE B 17 6.720 5.375 -1.328 1.00 0.00 H new ATOM 0 HD12 ILE B 17 8.046 4.806 -2.370 1.00 0.00 H new ATOM 0 HD13 ILE B 17 6.425 4.088 -2.520 1.00 0.00 H new ATOM 998 N GLU B 18 6.621 1.965 -4.191 1.00 0.00 N ATOM 999 CA GLU B 18 5.888 2.629 -5.261 1.00 0.00 C ATOM 1000 C GLU B 18 4.700 1.779 -5.695 1.00 0.00 C ATOM 1001 O GLU B 18 3.619 2.298 -5.973 1.00 0.00 O ATOM 1002 CB GLU B 18 6.808 2.893 -6.455 1.00 0.00 C ATOM 1003 CG GLU B 18 6.933 4.365 -6.813 1.00 0.00 C ATOM 1004 CD GLU B 18 7.758 5.142 -5.805 1.00 0.00 C ATOM 1005 OE1 GLU B 18 8.632 4.531 -5.156 1.00 0.00 O ATOM 1006 OE2 GLU B 18 7.528 6.361 -5.664 1.00 0.00 O ATOM 0 H GLU B 18 7.473 1.491 -4.492 1.00 0.00 H new ATOM 0 HA GLU B 18 5.519 3.584 -4.886 1.00 0.00 H new ATOM 0 HB2 GLU B 18 7.799 2.496 -6.234 1.00 0.00 H new ATOM 0 HB3 GLU B 18 6.432 2.348 -7.321 1.00 0.00 H new ATOM 0 HG2 GLU B 18 7.389 4.458 -7.799 1.00 0.00 H new ATOM 0 HG3 GLU B 18 5.938 4.805 -6.879 1.00 0.00 H new ATOM 1013 N ARG B 19 4.906 0.465 -5.739 1.00 0.00 N ATOM 1014 CA ARG B 19 3.849 -0.457 -6.128 1.00 0.00 C ATOM 1015 C ARG B 19 2.826 -0.595 -5.010 1.00 0.00 C ATOM 1016 O ARG B 19 1.654 -0.880 -5.256 1.00 0.00 O ATOM 1017 CB ARG B 19 4.435 -1.827 -6.476 1.00 0.00 C ATOM 1018 CG ARG B 19 3.419 -2.792 -7.065 1.00 0.00 C ATOM 1019 CD ARG B 19 3.397 -4.109 -6.308 1.00 0.00 C ATOM 1020 NE ARG B 19 2.622 -5.130 -7.007 1.00 0.00 N ATOM 1021 CZ ARG B 19 2.123 -6.210 -6.416 1.00 0.00 C ATOM 1022 NH1 ARG B 19 2.317 -6.407 -5.119 1.00 0.00 N ATOM 1023 NH2 ARG B 19 1.429 -7.094 -7.120 1.00 0.00 N ATOM 0 H ARG B 19 5.794 0.018 -5.510 1.00 0.00 H new ATOM 0 HA ARG B 19 3.351 -0.055 -7.011 1.00 0.00 H new ATOM 0 HB2 ARG B 19 5.251 -1.694 -7.186 1.00 0.00 H new ATOM 0 HB3 ARG B 19 4.864 -2.269 -5.576 1.00 0.00 H new ATOM 0 HG2 ARG B 19 2.428 -2.339 -7.038 1.00 0.00 H new ATOM 0 HG3 ARG B 19 3.657 -2.977 -8.113 1.00 0.00 H new ATOM 0 HD2 ARG B 19 4.418 -4.463 -6.167 1.00 0.00 H new ATOM 0 HD3 ARG B 19 2.975 -3.950 -5.316 1.00 0.00 H new ATOM 0 HE ARG B 19 2.454 -5.007 -8.006 1.00 0.00 H new ATOM 0 HH11 ARG B 19 2.850 -5.729 -4.574 1.00 0.00 H new ATOM 0 HH12 ARG B 19 1.933 -7.237 -4.666 1.00 0.00 H new ATOM 0 HH21 ARG B 19 1.277 -6.945 -8.118 1.00 0.00 H new ATOM 0 HH22 ARG B 19 1.047 -7.922 -6.664 1.00 0.00 H new ATOM 1037 N LEU B 20 3.275 -0.378 -3.777 1.00 0.00 N ATOM 1038 CA LEU B 20 2.393 -0.467 -2.624 1.00 0.00 C ATOM 1039 C LEU B 20 1.462 0.736 -2.585 1.00 0.00 C ATOM 1040 O LEU B 20 0.271 0.603 -2.311 1.00 0.00 O ATOM 1041 CB LEU B 20 3.206 -0.545 -1.331 1.00 0.00 C ATOM 1042 CG LEU B 20 3.622 -1.955 -0.910 1.00 0.00 C ATOM 1043 CD1 LEU B 20 4.798 -1.901 0.052 1.00 0.00 C ATOM 1044 CD2 LEU B 20 2.449 -2.690 -0.280 1.00 0.00 C ATOM 0 H LEU B 20 4.241 -0.140 -3.554 1.00 0.00 H new ATOM 0 HA LEU B 20 1.796 -1.375 -2.713 1.00 0.00 H new ATOM 0 HB2 LEU B 20 4.104 0.062 -1.447 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.622 -0.100 -0.526 1.00 0.00 H new ATOM 0 HG LEU B 20 3.933 -2.502 -1.800 1.00 0.00 H new ATOM 0 HD11 LEU B 20 5.079 -2.914 0.340 1.00 0.00 H new ATOM 0 HD12 LEU B 20 5.643 -1.414 -0.434 1.00 0.00 H new ATOM 0 HD13 LEU B 20 4.516 -1.336 0.941 1.00 0.00 H new ATOM 0 HD21 LEU B 20 2.763 -3.692 0.014 1.00 0.00 H new ATOM 0 HD22 LEU B 20 2.108 -2.144 0.600 1.00 0.00 H new ATOM 0 HD23 LEU B 20 1.635 -2.762 -1.001 1.00 0.00 H new ATOM 1056 N GLN B 21 2.016 1.912 -2.867 1.00 0.00 N ATOM 1057 CA GLN B 21 1.235 3.142 -2.873 1.00 0.00 C ATOM 1058 C GLN B 21 0.128 3.071 -3.919 1.00 0.00 C ATOM 1059 O GLN B 21 -1.016 3.441 -3.653 1.00 0.00 O ATOM 1060 CB GLN B 21 2.138 4.345 -3.147 1.00 0.00 C ATOM 1061 CG GLN B 21 1.413 5.679 -3.079 1.00 0.00 C ATOM 1062 CD GLN B 21 2.162 6.709 -2.257 1.00 0.00 C ATOM 1063 OE1 GLN B 21 1.775 7.022 -1.131 1.00 0.00 O ATOM 1064 NE2 GLN B 21 3.241 7.243 -2.818 1.00 0.00 N ATOM 0 H GLN B 21 3.002 2.038 -3.094 1.00 0.00 H new ATOM 0 HA GLN B 21 0.778 3.261 -1.891 1.00 0.00 H new ATOM 0 HB2 GLN B 21 2.954 4.348 -2.425 1.00 0.00 H new ATOM 0 HB3 GLN B 21 2.586 4.235 -4.134 1.00 0.00 H new ATOM 0 HG2 GLN B 21 1.268 6.061 -4.089 1.00 0.00 H new ATOM 0 HG3 GLN B 21 0.422 5.528 -2.650 1.00 0.00 H new ATOM 0 HE21 GLN B 21 3.525 6.954 -3.754 1.00 0.00 H new ATOM 0 HE22 GLN B 21 3.785 7.942 -2.313 1.00 0.00 H new ATOM 1073 N LYS B 22 0.474 2.592 -5.109 1.00 0.00 N ATOM 1074 CA LYS B 22 -0.496 2.471 -6.191 1.00 0.00 C ATOM 1075 C LYS B 22 -1.592 1.475 -5.826 1.00 0.00 C ATOM 1076 O LYS B 22 -2.756 1.655 -6.187 1.00 0.00 O ATOM 1077 CB LYS B 22 0.200 2.032 -7.482 1.00 0.00 C ATOM 1078 CG LYS B 22 -0.481 2.541 -8.742 1.00 0.00 C ATOM 1079 CD LYS B 22 -0.671 4.049 -8.703 1.00 0.00 C ATOM 1080 CE LYS B 22 -2.127 4.421 -8.478 1.00 0.00 C ATOM 1081 NZ LYS B 22 -2.742 5.018 -9.696 1.00 0.00 N ATOM 0 H LYS B 22 1.416 2.282 -5.348 1.00 0.00 H new ATOM 0 HA LYS B 22 -0.953 3.448 -6.348 1.00 0.00 H new ATOM 0 HB2 LYS B 22 1.231 2.386 -7.468 1.00 0.00 H new ATOM 0 HB3 LYS B 22 0.237 0.943 -7.513 1.00 0.00 H new ATOM 0 HG2 LYS B 22 0.115 2.271 -9.613 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -1.450 2.054 -8.855 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -0.059 4.473 -7.907 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -0.324 4.485 -9.640 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -2.688 3.533 -8.186 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -2.198 5.128 -7.652 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -3.580 5.571 -9.426 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -2.052 5.640 -10.164 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -3.023 4.260 -10.350 1.00 0.00 H new ATOM 1095 N GLU B 23 -1.211 0.423 -5.109 1.00 0.00 N ATOM 1096 CA GLU B 23 -2.159 -0.605 -4.694 1.00 0.00 C ATOM 1097 C GLU B 23 -3.173 -0.049 -3.699 1.00 0.00 C ATOM 1098 O GLU B 23 -4.347 -0.425 -3.719 1.00 0.00 O ATOM 1099 CB GLU B 23 -1.417 -1.790 -4.073 1.00 0.00 C ATOM 1100 CG GLU B 23 -1.096 -2.895 -5.066 1.00 0.00 C ATOM 1101 CD GLU B 23 0.188 -3.626 -4.729 1.00 0.00 C ATOM 1102 OE1 GLU B 23 1.103 -2.991 -4.166 1.00 0.00 O ATOM 1103 OE2 GLU B 23 0.279 -4.836 -5.029 1.00 0.00 O ATOM 0 H GLU B 23 -0.252 0.260 -4.803 1.00 0.00 H new ATOM 0 HA GLU B 23 -2.697 -0.942 -5.580 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -0.489 -1.433 -3.627 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -2.021 -2.203 -3.265 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -1.920 -3.608 -5.090 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -1.015 -2.468 -6.066 1.00 0.00 H new ATOM 1110 N ILE B 24 -2.718 0.850 -2.830 1.00 0.00 N ATOM 1111 CA ILE B 24 -3.600 1.450 -1.834 1.00 0.00 C ATOM 1112 C ILE B 24 -4.663 2.311 -2.521 1.00 0.00 C ATOM 1113 O ILE B 24 -5.835 2.292 -2.144 1.00 0.00 O ATOM 1114 CB ILE B 24 -2.813 2.276 -0.762 1.00 0.00 C ATOM 1115 CG1 ILE B 24 -2.721 3.767 -1.120 1.00 0.00 C ATOM 1116 CG2 ILE B 24 -1.417 1.707 -0.558 1.00 0.00 C ATOM 1117 CD1 ILE B 24 -3.961 4.548 -0.741 1.00 0.00 C ATOM 0 H ILE B 24 -1.752 1.177 -2.795 1.00 0.00 H new ATOM 0 HA ILE B 24 -4.094 0.638 -1.300 1.00 0.00 H new ATOM 0 HB ILE B 24 -3.376 2.194 0.168 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -1.857 4.202 -0.617 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -2.550 3.867 -2.192 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -0.889 2.297 0.191 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -1.491 0.674 -0.219 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -0.869 1.742 -1.499 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -3.832 5.594 -1.020 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -4.824 4.136 -1.264 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -4.121 4.477 0.335 1.00 0.00 H new ATOM 1129 N GLU B 25 -4.235 3.059 -3.533 1.00 0.00 N ATOM 1130 CA GLU B 25 -5.138 3.923 -4.282 1.00 0.00 C ATOM 1131 C GLU B 25 -6.265 3.108 -4.903 1.00 0.00 C ATOM 1132 O GLU B 25 -7.430 3.498 -4.848 1.00 0.00 O ATOM 1133 CB GLU B 25 -4.374 4.675 -5.373 1.00 0.00 C ATOM 1134 CG GLU B 25 -4.568 6.182 -5.324 1.00 0.00 C ATOM 1135 CD GLU B 25 -5.145 6.737 -6.612 1.00 0.00 C ATOM 1136 OE1 GLU B 25 -4.463 6.648 -7.655 1.00 0.00 O ATOM 1137 OE2 GLU B 25 -6.278 7.260 -6.578 1.00 0.00 O ATOM 0 H GLU B 25 -3.267 3.084 -3.853 1.00 0.00 H new ATOM 0 HA GLU B 25 -5.570 4.647 -3.591 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -3.311 4.451 -5.281 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -4.694 4.307 -6.348 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -5.230 6.433 -4.496 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -3.610 6.662 -5.123 1.00 0.00 H new ATOM 1144 N ARG B 26 -5.909 1.966 -5.485 1.00 0.00 N ATOM 1145 CA ARG B 26 -6.895 1.091 -6.107 1.00 0.00 C ATOM 1146 C ARG B 26 -7.979 0.720 -5.103 1.00 0.00 C ATOM 1147 O ARG B 26 -9.172 0.835 -5.387 1.00 0.00 O ATOM 1148 CB ARG B 26 -6.222 -0.173 -6.644 1.00 0.00 C ATOM 1149 CG ARG B 26 -5.827 -0.076 -8.109 1.00 0.00 C ATOM 1150 CD ARG B 26 -5.083 1.218 -8.401 1.00 0.00 C ATOM 1151 NE ARG B 26 -4.253 1.113 -9.597 1.00 0.00 N ATOM 1152 CZ ARG B 26 -4.728 1.213 -10.834 1.00 0.00 C ATOM 1153 NH1 ARG B 26 -6.024 1.418 -11.034 1.00 0.00 N ATOM 1154 NH2 ARG B 26 -3.910 1.108 -11.871 1.00 0.00 N ATOM 0 H ARG B 26 -4.949 1.627 -5.538 1.00 0.00 H new ATOM 0 HA ARG B 26 -7.354 1.624 -6.940 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -5.333 -0.382 -6.049 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -6.898 -1.018 -6.514 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -5.199 -0.926 -8.375 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -6.720 -0.132 -8.732 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -5.801 2.028 -8.528 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -4.457 1.477 -7.547 1.00 0.00 H new ATOM 0 HE ARG B 26 -3.253 0.954 -9.477 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -6.656 1.499 -10.238 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -6.388 1.495 -11.984 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -2.914 0.950 -11.721 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -4.277 1.185 -12.820 1.00 0.00 H new ATOM 1168 N HIS B 27 -7.554 0.281 -3.922 1.00 0.00 N ATOM 1169 CA HIS B 27 -8.487 -0.096 -2.869 1.00 0.00 C ATOM 1170 C HIS B 27 -9.318 1.106 -2.431 1.00 0.00 C ATOM 1171 O HIS B 27 -10.432 0.956 -1.930 1.00 0.00 O ATOM 1172 CB HIS B 27 -7.733 -0.674 -1.671 1.00 0.00 C ATOM 1173 CG HIS B 27 -7.782 -2.168 -1.596 1.00 0.00 C ATOM 1174 ND1 HIS B 27 -8.751 -2.856 -0.895 1.00 0.00 N ATOM 1175 CD2 HIS B 27 -6.975 -3.110 -2.140 1.00 0.00 C ATOM 1176 CE1 HIS B 27 -8.537 -4.155 -1.010 1.00 0.00 C ATOM 1177 NE2 HIS B 27 -7.467 -4.334 -1.760 1.00 0.00 N ATOM 0 H HIS B 27 -6.571 0.178 -3.672 1.00 0.00 H new ATOM 0 HA HIS B 27 -9.158 -0.858 -3.265 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -6.692 -0.355 -1.719 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -8.151 -0.259 -0.754 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -6.107 -2.932 -2.757 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -9.136 -4.936 -0.566 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -7.069 -5.237 -2.017 1.00 0.00 H new ATOM 1186 N LYS B 28 -8.767 2.301 -2.628 1.00 0.00 N ATOM 1187 CA LYS B 28 -9.454 3.532 -2.257 1.00 0.00 C ATOM 1188 C LYS B 28 -10.566 3.854 -3.249 1.00 0.00 C ATOM 1189 O LYS B 28 -11.577 4.456 -2.890 1.00 0.00 O ATOM 1190 CB LYS B 28 -8.462 4.695 -2.191 1.00 0.00 C ATOM 1191 CG LYS B 28 -8.951 5.865 -1.355 1.00 0.00 C ATOM 1192 CD LYS B 28 -9.810 6.816 -2.175 1.00 0.00 C ATOM 1193 CE LYS B 28 -8.981 7.943 -2.769 1.00 0.00 C ATOM 1194 NZ LYS B 28 -9.648 9.265 -2.613 1.00 0.00 N ATOM 0 H LYS B 28 -7.846 2.442 -3.043 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.900 3.387 -1.273 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -7.519 4.334 -1.780 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -8.256 5.043 -3.203 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -9.526 5.493 -0.507 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -8.096 6.405 -0.948 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -10.303 6.264 -2.976 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -10.595 7.234 -1.545 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.005 7.970 -2.285 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -8.807 7.747 -3.827 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.051 10.007 -3.031 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -10.569 9.249 -3.097 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -9.791 9.464 -1.602 1.00 0.00 H new ATOM 1208 N GLN B 29 -10.372 3.447 -4.500 1.00 0.00 N ATOM 1209 CA GLN B 29 -11.358 3.692 -5.543 1.00 0.00 C ATOM 1210 C GLN B 29 -12.549 2.753 -5.391 1.00 0.00 C ATOM 1211 O GLN B 29 -13.688 3.126 -5.674 1.00 0.00 O ATOM 1212 CB GLN B 29 -10.726 3.513 -6.925 1.00 0.00 C ATOM 1213 CG GLN B 29 -11.455 4.261 -8.029 1.00 0.00 C ATOM 1214 CD GLN B 29 -10.507 4.947 -8.993 1.00 0.00 C ATOM 1215 OE1 GLN B 29 -9.788 4.291 -9.747 1.00 0.00 O ATOM 1216 NE2 GLN B 29 -10.501 6.275 -8.973 1.00 0.00 N ATOM 0 H GLN B 29 -9.541 2.946 -4.814 1.00 0.00 H new ATOM 0 HA GLN B 29 -11.710 4.719 -5.444 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -9.691 3.854 -6.889 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -10.704 2.451 -7.170 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -12.086 3.563 -8.580 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -12.116 5.005 -7.584 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -11.114 6.778 -8.331 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -9.884 6.792 -9.599 1.00 0.00 H new ATOM 1225 N SER B 30 -12.278 1.533 -4.941 1.00 0.00 N ATOM 1226 CA SER B 30 -13.330 0.541 -4.748 1.00 0.00 C ATOM 1227 C SER B 30 -14.155 0.857 -3.507 1.00 0.00 C ATOM 1228 O SER B 30 -15.378 0.722 -3.512 1.00 0.00 O ATOM 1229 CB SER B 30 -12.724 -0.859 -4.631 1.00 0.00 C ATOM 1230 OG SER B 30 -13.493 -1.811 -5.345 1.00 0.00 O ATOM 0 H SER B 30 -11.341 1.207 -4.703 1.00 0.00 H new ATOM 0 HA SER B 30 -13.989 0.573 -5.616 1.00 0.00 H new ATOM 0 HB2 SER B 30 -11.704 -0.850 -5.015 1.00 0.00 H new ATOM 0 HB3 SER B 30 -12.667 -1.147 -3.581 1.00 0.00 H new ATOM 0 HG SER B 30 -13.083 -2.697 -5.255 1.00 0.00 H new ATOM 1236 N ILE B 31 -13.479 1.283 -2.443 1.00 0.00 N ATOM 1237 CA ILE B 31 -14.152 1.621 -1.196 1.00 0.00 C ATOM 1238 C ILE B 31 -14.883 2.953 -1.319 1.00 0.00 C ATOM 1239 O ILE B 31 -15.867 3.200 -0.620 1.00 0.00 O ATOM 1240 CB ILE B 31 -13.145 1.687 -0.029 1.00 0.00 C ATOM 1241 CG1 ILE B 31 -13.830 2.118 1.271 1.00 0.00 C ATOM 1242 CG2 ILE B 31 -12.005 2.633 -0.366 1.00 0.00 C ATOM 1243 CD1 ILE B 31 -14.629 1.015 1.926 1.00 0.00 C ATOM 0 H ILE B 31 -12.466 1.402 -2.421 1.00 0.00 H new ATOM 0 HA ILE B 31 -14.880 0.836 -0.989 1.00 0.00 H new ATOM 0 HB ILE B 31 -12.739 0.687 0.121 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -13.073 2.472 1.971 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -14.491 2.960 1.063 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -11.303 2.669 0.467 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -11.490 2.279 -1.259 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -12.403 3.631 -0.548 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -15.086 1.391 2.841 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -15.409 0.676 1.244 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -13.969 0.181 2.166 1.00 0.00 H new ATOM 1255 N LYS B 32 -14.402 3.808 -2.215 1.00 0.00 N ATOM 1256 CA LYS B 32 -15.013 5.112 -2.432 1.00 0.00 C ATOM 1257 C LYS B 32 -16.261 4.987 -3.300 1.00 0.00 C ATOM 1258 O LYS B 32 -17.246 5.696 -3.096 1.00 0.00 O ATOM 1259 CB LYS B 32 -14.014 6.067 -3.089 1.00 0.00 C ATOM 1260 CG LYS B 32 -14.594 7.437 -3.398 1.00 0.00 C ATOM 1261 CD LYS B 32 -14.323 7.845 -4.837 1.00 0.00 C ATOM 1262 CE LYS B 32 -13.114 8.760 -4.938 1.00 0.00 C ATOM 1263 NZ LYS B 32 -12.689 8.965 -6.350 1.00 0.00 N ATOM 0 H LYS B 32 -13.590 3.620 -2.803 1.00 0.00 H new ATOM 0 HA LYS B 32 -15.303 5.515 -1.462 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -13.152 6.186 -2.432 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -13.650 5.619 -4.014 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -15.669 7.427 -3.218 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -14.164 8.176 -2.722 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -14.159 6.955 -5.444 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -15.199 8.351 -5.244 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -13.349 9.724 -4.486 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -12.288 8.334 -4.368 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -11.862 9.595 -6.376 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -12.440 8.049 -6.774 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -13.468 9.395 -6.888 1.00 0.00 H new ATOM 1277 N LYS B 33 -16.214 4.076 -4.267 1.00 0.00 N ATOM 1278 CA LYS B 33 -17.343 3.856 -5.162 1.00 0.00 C ATOM 1279 C LYS B 33 -18.414 3.012 -4.481 1.00 0.00 C ATOM 1280 O LYS B 33 -19.598 3.118 -4.800 1.00 0.00 O ATOM 1281 CB LYS B 33 -16.877 3.170 -6.449 1.00 0.00 C ATOM 1282 CG LYS B 33 -18.006 2.870 -7.421 1.00 0.00 C ATOM 1283 CD LYS B 33 -18.027 3.862 -8.573 1.00 0.00 C ATOM 1284 CE LYS B 33 -17.793 3.170 -9.906 1.00 0.00 C ATOM 1285 NZ LYS B 33 -16.469 3.521 -10.490 1.00 0.00 N ATOM 0 H LYS B 33 -15.407 3.479 -4.450 1.00 0.00 H new ATOM 0 HA LYS B 33 -17.772 4.826 -5.413 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -16.142 3.805 -6.944 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -16.372 2.239 -6.192 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -17.892 1.859 -7.812 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -18.960 2.902 -6.894 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -18.987 4.378 -8.593 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -17.260 4.621 -8.416 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -17.855 2.090 -9.770 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -18.583 3.449 -10.603 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -16.349 3.029 -11.398 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -16.419 4.548 -10.644 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -15.714 3.231 -9.836 1.00 0.00 H new ATOM 1299 N LEU B 34 -17.989 2.180 -3.536 1.00 0.00 N ATOM 1300 CA LEU B 34 -18.910 1.320 -2.804 1.00 0.00 C ATOM 1301 C LEU B 34 -19.614 2.101 -1.700 1.00 0.00 C ATOM 1302 O LEU B 34 -20.760 1.813 -1.357 1.00 0.00 O ATOM 1303 CB LEU B 34 -18.164 0.126 -2.207 1.00 0.00 C ATOM 1304 CG LEU B 34 -18.395 -1.206 -2.923 1.00 0.00 C ATOM 1305 CD1 LEU B 34 -17.225 -2.148 -2.689 1.00 0.00 C ATOM 1306 CD2 LEU B 34 -19.695 -1.842 -2.456 1.00 0.00 C ATOM 0 H LEU B 34 -17.012 2.083 -3.259 1.00 0.00 H new ATOM 0 HA LEU B 34 -19.661 0.953 -3.503 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -17.096 0.344 -2.214 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -18.461 0.016 -1.164 1.00 0.00 H new ATOM 0 HG LEU B 34 -18.471 -1.013 -3.993 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -17.407 -3.090 -3.206 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -16.311 -1.695 -3.072 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -17.117 -2.335 -1.621 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -19.844 -2.789 -2.975 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -19.647 -2.021 -1.382 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -20.527 -1.173 -2.676 1.00 0.00 H new ATOM 1318 N LYS B 35 -18.920 3.092 -1.149 1.00 0.00 N ATOM 1319 CA LYS B 35 -19.481 3.915 -0.085 1.00 0.00 C ATOM 1320 C LYS B 35 -20.460 4.938 -0.650 1.00 0.00 C ATOM 1321 O LYS B 35 -21.471 5.257 -0.025 1.00 0.00 O ATOM 1322 CB LYS B 35 -18.365 4.628 0.682 1.00 0.00 C ATOM 1323 CG LYS B 35 -17.701 5.744 -0.107 1.00 0.00 C ATOM 1324 CD LYS B 35 -16.726 6.531 0.753 1.00 0.00 C ATOM 1325 CE LYS B 35 -17.436 7.602 1.563 1.00 0.00 C ATOM 1326 NZ LYS B 35 -16.484 8.408 2.375 1.00 0.00 N ATOM 0 H LYS B 35 -17.970 3.344 -1.422 1.00 0.00 H new ATOM 0 HA LYS B 35 -20.020 3.261 0.600 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -18.775 5.041 1.604 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -17.609 3.897 0.969 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -17.174 5.322 -0.963 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -18.464 6.415 -0.502 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -16.203 5.852 1.426 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -15.971 6.995 0.118 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -17.987 8.260 0.891 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -18.168 7.134 2.221 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -17.009 9.127 2.912 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -15.976 7.785 3.035 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -15.801 8.876 1.746 1.00 0.00 H new ATOM 1340 N GLN B 36 -20.154 5.449 -1.839 1.00 0.00 N ATOM 1341 CA GLN B 36 -21.010 6.433 -2.490 1.00 0.00 C ATOM 1342 C GLN B 36 -22.223 5.760 -3.121 1.00 0.00 C ATOM 1343 O GLN B 36 -23.295 6.357 -3.224 1.00 0.00 O ATOM 1344 CB GLN B 36 -20.225 7.200 -3.555 1.00 0.00 C ATOM 1345 CG GLN B 36 -20.934 8.449 -4.052 1.00 0.00 C ATOM 1346 CD GLN B 36 -20.452 9.709 -3.359 1.00 0.00 C ATOM 1347 OE1 GLN B 36 -20.913 10.046 -2.268 1.00 0.00 O ATOM 1348 NE2 GLN B 36 -19.519 10.411 -3.990 1.00 0.00 N ATOM 0 H GLN B 36 -19.320 5.198 -2.370 1.00 0.00 H new ATOM 0 HA GLN B 36 -21.358 7.135 -1.732 1.00 0.00 H new ATOM 0 HB2 GLN B 36 -19.254 7.482 -3.147 1.00 0.00 H new ATOM 0 HB3 GLN B 36 -20.035 6.539 -4.401 1.00 0.00 H new ATOM 0 HG2 GLN B 36 -20.778 8.547 -5.126 1.00 0.00 H new ATOM 0 HG3 GLN B 36 -22.007 8.340 -3.894 1.00 0.00 H new ATOM 0 HE21 GLN B 36 -19.166 10.094 -4.893 1.00 0.00 H new ATOM 0 HE22 GLN B 36 -19.155 11.267 -3.572 1.00 0.00 H new ATOM 1357 N SER B 37 -22.048 4.510 -3.540 1.00 0.00 N ATOM 1358 CA SER B 37 -23.129 3.753 -4.158 1.00 0.00 C ATOM 1359 C SER B 37 -24.099 3.236 -3.102 1.00 0.00 C ATOM 1360 O SER B 37 -25.279 3.022 -3.379 1.00 0.00 O ATOM 1361 CB SER B 37 -22.563 2.583 -4.965 1.00 0.00 C ATOM 1362 OG SER B 37 -23.501 2.123 -5.923 1.00 0.00 O ATOM 0 H SER B 37 -21.168 4.001 -3.462 1.00 0.00 H new ATOM 0 HA SER B 37 -23.671 4.419 -4.830 1.00 0.00 H new ATOM 0 HB2 SER B 37 -21.647 2.893 -5.468 1.00 0.00 H new ATOM 0 HB3 SER B 37 -22.296 1.768 -4.292 1.00 0.00 H new ATOM 0 HG SER B 37 -23.115 1.376 -6.427 1.00 0.00 H new ATOM 1368 N GLU B 38 -23.593 3.040 -1.888 1.00 0.00 N ATOM 1369 CA GLU B 38 -24.415 2.550 -0.789 1.00 0.00 C ATOM 1370 C GLU B 38 -25.342 3.647 -0.274 1.00 0.00 C ATOM 1371 O GLU B 38 -26.423 3.368 0.244 1.00 0.00 O ATOM 1372 CB GLU B 38 -23.531 2.038 0.350 1.00 0.00 C ATOM 1373 CG GLU B 38 -23.868 0.623 0.793 1.00 0.00 C ATOM 1374 CD GLU B 38 -23.812 0.454 2.298 1.00 0.00 C ATOM 1375 OE1 GLU B 38 -22.880 1.003 2.922 1.00 0.00 O ATOM 1376 OE2 GLU B 38 -24.700 -0.226 2.853 1.00 0.00 O ATOM 0 H GLU B 38 -22.618 3.213 -1.642 1.00 0.00 H new ATOM 0 HA GLU B 38 -25.025 1.728 -1.163 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -22.489 2.072 0.033 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -23.627 2.709 1.203 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -24.866 0.363 0.439 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -23.173 -0.075 0.327 1.00 0.00 H new ATOM 1383 N ASP B 39 -24.911 4.895 -0.423 1.00 0.00 N ATOM 1384 CA ASP B 39 -25.703 6.035 0.026 1.00 0.00 C ATOM 1385 C ASP B 39 -26.906 6.253 -0.885 1.00 0.00 C ATOM 1386 O ASP B 39 -27.918 6.818 -0.468 1.00 0.00 O ATOM 1387 CB ASP B 39 -24.841 7.298 0.064 1.00 0.00 C ATOM 1388 CG ASP B 39 -24.806 7.934 1.440 1.00 0.00 C ATOM 1389 OD1 ASP B 39 -25.814 8.559 1.831 1.00 0.00 O ATOM 1390 OD2 ASP B 39 -23.770 7.804 2.127 1.00 0.00 O ATOM 0 H ASP B 39 -24.019 5.143 -0.851 1.00 0.00 H new ATOM 0 HA ASP B 39 -26.065 5.821 1.031 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -23.825 7.051 -0.245 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -25.226 8.019 -0.657 1.00 0.00 H new ATOM 1395 N ASP B 40 -26.790 5.803 -2.131 1.00 0.00 N ATOM 1396 CA ASP B 40 -27.870 5.950 -3.100 1.00 0.00 C ATOM 1397 C ASP B 40 -28.868 4.802 -2.981 1.00 0.00 C ATOM 1398 O ASP B 40 -30.074 4.997 -3.135 1.00 0.00 O ATOM 1399 CB ASP B 40 -27.303 6.003 -4.520 1.00 0.00 C ATOM 1400 CG ASP B 40 -28.389 6.126 -5.571 1.00 0.00 C ATOM 1401 OD1 ASP B 40 -28.830 7.263 -5.839 1.00 0.00 O ATOM 1402 OD2 ASP B 40 -28.799 5.085 -6.126 1.00 0.00 O ATOM 0 H ASP B 40 -25.960 5.334 -2.493 1.00 0.00 H new ATOM 0 HA ASP B 40 -28.391 6.884 -2.888 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -26.621 6.849 -4.605 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -26.718 5.103 -4.709 1.00 0.00 H new ATOM 1407 N ASP B 41 -28.357 3.607 -2.706 1.00 0.00 N ATOM 1408 CA ASP B 41 -29.204 2.427 -2.567 1.00 0.00 C ATOM 1409 C ASP B 41 -29.790 2.017 -3.914 1.00 0.00 C ATOM 1410 O ASP B 41 -29.463 2.672 -4.926 1.00 0.00 O ATOM 1411 CB ASP B 41 -30.330 2.697 -1.568 1.00 0.00 C ATOM 1412 CG ASP B 41 -30.739 1.451 -0.808 1.00 0.00 C ATOM 1413 OD1 ASP B 41 -30.839 0.377 -1.437 1.00 0.00 O ATOM 1414 OD2 ASP B 41 -30.961 1.549 0.418 1.00 0.00 O ATOM 1415 OXT ASP B 41 -30.572 1.043 -3.946 1.00 0.00 O ATOM 0 H ASP B 41 -27.361 3.429 -2.575 1.00 0.00 H new ATOM 0 HA ASP B 41 -28.587 1.609 -2.195 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -30.009 3.462 -0.861 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -31.195 3.096 -2.098 1.00 0.00 H new TER 1420 ASP B 41