USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 732 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 5 LYS NZ :NH3+ -129:sc= -0.0565 (180deg=-0.446) USER MOD Set 1.2: A 7 TYR OH : rot 153:sc= 1.04 USER MOD Single : A 1 ASP N :NH3+ 158:sc= -0.0779 (180deg=-0.586) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.991 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 14 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0642) USER MOD Single : A 15 HIS :FLIP no HD1:sc= -3.49 F(o=-7.4!,f=-3.4) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 54:sc= 1.22 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -2.1 USER MOD Single : A 26 HIS : no HD1:sc= -4.57 X(o=-4.6,f=-4.1!) USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.448 F(o=-1.5,f=-0.45) USER MOD Single : A 28 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.301) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HE2:sc= -3.09! C(o=-3.1!,f=-6.1!) USER MOD Single : A 49 GLN : amide:sc= -3.77 K(o=-3.8,f=-5.9!) USER MOD Single : A 55 THR OG1 : rot 41:sc= 1.53 USER MOD Single : A 57 ASN : amide:sc= -1.02 K(o=-1,f=-4.9!) USER MOD Single : A 63 HIS : no HD1:sc= -2.3 K(o=-2.3,f=-7.1!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -102:sc= 0.463 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -48:sc= 0.55 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0.0498 K(o=0.05,f=-2.5!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -3.733 4.331 19.996 1.00 0.00 N ATOM 2 CA ASP A 1 -4.275 4.502 18.618 1.00 0.00 C ATOM 3 C ASP A 1 -3.190 4.200 17.582 1.00 0.00 C ATOM 4 O ASP A 1 -2.343 5.029 17.298 1.00 0.00 O ATOM 5 CB ASP A 1 -4.699 5.969 18.540 1.00 0.00 C ATOM 6 CG ASP A 1 -5.943 6.095 17.657 1.00 0.00 C ATOM 7 OD1 ASP A 1 -6.988 5.618 18.070 1.00 0.00 O ATOM 8 OD2 ASP A 1 -5.830 6.666 16.585 1.00 0.00 O ATOM 0 H1 ASP A 1 -4.313 4.874 20.667 1.00 0.00 H new ATOM 0 H2 ASP A 1 -3.754 3.324 20.255 1.00 0.00 H new ATOM 0 H3 ASP A 1 -2.752 4.676 20.029 1.00 0.00 H new ATOM 0 HA ASP A 1 -5.105 3.826 18.413 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -4.909 6.351 19.539 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -3.888 6.572 18.132 1.00 0.00 H new ATOM 13 N LYS A 2 -3.233 3.035 16.987 1.00 0.00 N ATOM 14 CA LYS A 2 -2.233 2.687 15.933 1.00 0.00 C ATOM 15 C LYS A 2 -2.709 1.472 15.130 1.00 0.00 C ATOM 16 O LYS A 2 -1.914 0.704 14.621 1.00 0.00 O ATOM 17 CB LYS A 2 -0.939 2.365 16.690 1.00 0.00 C ATOM 18 CG LYS A 2 -1.180 1.227 17.691 1.00 0.00 C ATOM 19 CD LYS A 2 -1.485 1.815 19.070 1.00 0.00 C ATOM 20 CE LYS A 2 -0.926 0.891 20.155 1.00 0.00 C ATOM 21 NZ LYS A 2 -0.641 1.785 21.312 1.00 0.00 N ATOM 0 H LYS A 2 -3.920 2.308 17.187 1.00 0.00 H new ATOM 0 HA LYS A 2 -2.089 3.499 15.221 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.158 2.080 15.985 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.586 3.252 17.215 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.011 0.605 17.357 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.302 0.584 17.745 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.043 2.807 19.160 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.561 1.933 19.197 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.644 0.116 20.422 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.023 0.385 19.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.254 1.224 22.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.051 2.508 21.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.521 2.248 21.618 1.00 0.00 H new ATOM 35 N ASP A 3 -4.001 1.319 14.981 1.00 0.00 N ATOM 36 CA ASP A 3 -4.537 0.182 14.173 1.00 0.00 C ATOM 37 C ASP A 3 -4.742 0.618 12.720 1.00 0.00 C ATOM 38 O ASP A 3 -4.475 1.748 12.359 1.00 0.00 O ATOM 39 CB ASP A 3 -5.878 -0.166 14.823 1.00 0.00 C ATOM 40 CG ASP A 3 -5.642 -0.635 16.260 1.00 0.00 C ATOM 41 OD1 ASP A 3 -4.847 -1.542 16.444 1.00 0.00 O ATOM 42 OD2 ASP A 3 -6.262 -0.080 17.153 1.00 0.00 O ATOM 0 H ASP A 3 -4.708 1.933 15.385 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.858 -0.671 14.156 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -6.534 0.704 14.816 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -6.379 -0.947 14.252 1.00 0.00 H new ATOM 47 N VAL A 4 -5.251 -0.263 11.896 1.00 0.00 N ATOM 48 CA VAL A 4 -5.520 0.103 10.473 1.00 0.00 C ATOM 49 C VAL A 4 -6.844 0.868 10.368 1.00 0.00 C ATOM 50 O VAL A 4 -7.802 0.565 11.053 1.00 0.00 O ATOM 51 CB VAL A 4 -5.603 -1.235 9.726 1.00 0.00 C ATOM 52 CG1 VAL A 4 -5.912 -0.994 8.242 1.00 0.00 C ATOM 53 CG2 VAL A 4 -4.265 -1.970 9.850 1.00 0.00 C ATOM 0 H VAL A 4 -5.492 -1.221 12.148 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.748 0.750 10.057 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.399 -1.837 10.164 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -5.968 -1.950 7.722 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.865 -0.473 8.149 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.122 -0.387 7.800 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.322 -2.921 9.320 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.473 -1.360 9.416 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.047 -2.153 10.902 1.00 0.00 H new ATOM 63 N LYS A 5 -6.917 1.816 9.469 1.00 0.00 N ATOM 64 CA LYS A 5 -8.193 2.560 9.255 1.00 0.00 C ATOM 65 C LYS A 5 -8.743 2.261 7.856 1.00 0.00 C ATOM 66 O LYS A 5 -8.414 1.253 7.258 1.00 0.00 O ATOM 67 CB LYS A 5 -7.814 4.038 9.382 1.00 0.00 C ATOM 68 CG LYS A 5 -8.937 4.793 10.097 1.00 0.00 C ATOM 69 CD LYS A 5 -8.819 6.289 9.795 1.00 0.00 C ATOM 70 CE LYS A 5 -7.978 6.964 10.881 1.00 0.00 C ATOM 71 NZ LYS A 5 -6.587 6.956 10.350 1.00 0.00 N ATOM 0 H LYS A 5 -6.143 2.107 8.872 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.967 2.277 9.969 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.882 4.139 9.938 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.644 4.467 8.395 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.907 4.420 9.768 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.878 4.622 11.172 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.359 6.438 8.818 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.810 6.742 9.753 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.322 7.981 11.072 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.044 6.423 11.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.945 6.559 11.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.548 6.375 9.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.296 7.929 10.125 1.00 0.00 H new ATOM 85 N TYR A 6 -9.545 3.144 7.318 1.00 0.00 N ATOM 86 CA TYR A 6 -10.079 2.935 5.939 1.00 0.00 C ATOM 87 C TYR A 6 -9.921 4.212 5.109 1.00 0.00 C ATOM 88 O TYR A 6 -10.760 5.092 5.144 1.00 0.00 O ATOM 89 CB TYR A 6 -11.558 2.599 6.134 1.00 0.00 C ATOM 90 CG TYR A 6 -11.695 1.148 6.525 1.00 0.00 C ATOM 91 CD1 TYR A 6 -11.306 0.142 5.633 1.00 0.00 C ATOM 92 CD2 TYR A 6 -12.210 0.808 7.782 1.00 0.00 C ATOM 93 CE1 TYR A 6 -11.432 -1.204 5.996 1.00 0.00 C ATOM 94 CE2 TYR A 6 -12.337 -0.538 8.146 1.00 0.00 C ATOM 95 CZ TYR A 6 -11.948 -1.545 7.253 1.00 0.00 C ATOM 96 OH TYR A 6 -12.072 -2.871 7.611 1.00 0.00 O ATOM 0 H TYR A 6 -9.853 4.002 7.775 1.00 0.00 H new ATOM 0 HA TYR A 6 -9.549 2.145 5.406 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -11.989 3.237 6.906 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -12.111 2.793 5.215 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -10.908 0.404 4.664 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -12.509 1.584 8.471 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -11.131 -1.980 5.307 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -12.735 -0.800 9.115 1.00 0.00 H new ATOM 0 HH TYR A 6 -12.445 -2.932 8.515 1.00 0.00 H new ATOM 106 N TYR A 7 -8.870 4.297 4.332 1.00 0.00 N ATOM 107 CA TYR A 7 -8.673 5.491 3.457 1.00 0.00 C ATOM 108 C TYR A 7 -9.502 5.353 2.178 1.00 0.00 C ATOM 109 O TYR A 7 -9.498 4.320 1.536 1.00 0.00 O ATOM 110 CB TYR A 7 -7.180 5.499 3.125 1.00 0.00 C ATOM 111 CG TYR A 7 -6.376 5.674 4.392 1.00 0.00 C ATOM 112 CD1 TYR A 7 -6.628 6.761 5.238 1.00 0.00 C ATOM 113 CD2 TYR A 7 -5.378 4.750 4.717 1.00 0.00 C ATOM 114 CE1 TYR A 7 -5.880 6.922 6.411 1.00 0.00 C ATOM 115 CE2 TYR A 7 -4.631 4.911 5.890 1.00 0.00 C ATOM 116 CZ TYR A 7 -4.881 5.998 6.736 1.00 0.00 C ATOM 117 OH TYR A 7 -4.144 6.155 7.892 1.00 0.00 O ATOM 0 H TYR A 7 -8.139 3.589 4.267 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.989 6.414 3.944 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -6.902 4.567 2.633 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -6.957 6.306 2.427 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.399 7.475 4.986 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.184 3.913 4.063 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -6.074 7.759 7.065 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -3.862 4.196 6.142 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.826 5.280 8.199 1.00 0.00 H new ATOM 127 N THR A 8 -10.176 6.403 1.783 1.00 0.00 N ATOM 128 CA THR A 8 -10.967 6.356 0.515 1.00 0.00 C ATOM 129 C THR A 8 -10.026 6.234 -0.686 1.00 0.00 C ATOM 130 O THR A 8 -8.906 6.709 -0.659 1.00 0.00 O ATOM 131 CB THR A 8 -11.739 7.679 0.457 1.00 0.00 C ATOM 132 OG1 THR A 8 -10.821 8.765 0.389 1.00 0.00 O ATOM 133 CG2 THR A 8 -12.622 7.822 1.701 1.00 0.00 C ATOM 0 H THR A 8 -10.213 7.291 2.283 1.00 0.00 H new ATOM 0 HA THR A 8 -11.640 5.499 0.488 1.00 0.00 H new ATOM 0 HB THR A 8 -12.372 7.687 -0.430 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.316 9.610 0.350 1.00 0.00 H new ATOM 0 HG21 THR A 8 -13.168 8.764 1.653 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.330 6.994 1.742 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.997 7.809 2.594 1.00 0.00 H new ATOM 141 N LEU A 9 -10.489 5.632 -1.751 1.00 0.00 N ATOM 142 CA LEU A 9 -9.642 5.510 -2.979 1.00 0.00 C ATOM 143 C LEU A 9 -9.393 6.892 -3.589 1.00 0.00 C ATOM 144 O LEU A 9 -8.363 7.136 -4.190 1.00 0.00 O ATOM 145 CB LEU A 9 -10.453 4.637 -3.938 1.00 0.00 C ATOM 146 CG LEU A 9 -9.506 3.791 -4.793 1.00 0.00 C ATOM 147 CD1 LEU A 9 -8.750 2.805 -3.899 1.00 0.00 C ATOM 148 CD2 LEU A 9 -10.319 3.014 -5.833 1.00 0.00 C ATOM 0 H LEU A 9 -11.418 5.218 -1.825 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.665 5.077 -2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.126 3.990 -3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.074 5.263 -4.578 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.793 4.443 -5.298 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.076 2.203 -4.509 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.173 3.356 -3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.462 2.152 -3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.647 2.411 -6.443 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.031 2.363 -5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.858 3.714 -6.471 1.00 0.00 H new ATOM 160 N GLU A 10 -10.310 7.807 -3.401 1.00 0.00 N ATOM 161 CA GLU A 10 -10.110 9.193 -3.926 1.00 0.00 C ATOM 162 C GLU A 10 -9.001 9.901 -3.141 1.00 0.00 C ATOM 163 O GLU A 10 -8.309 10.754 -3.664 1.00 0.00 O ATOM 164 CB GLU A 10 -11.451 9.900 -3.716 1.00 0.00 C ATOM 165 CG GLU A 10 -12.390 9.571 -4.877 1.00 0.00 C ATOM 166 CD GLU A 10 -13.834 9.868 -4.468 1.00 0.00 C ATOM 167 OE1 GLU A 10 -14.245 9.382 -3.427 1.00 0.00 O ATOM 168 OE2 GLU A 10 -14.503 10.576 -5.202 1.00 0.00 O ATOM 0 H GLU A 10 -11.189 7.655 -2.907 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.810 9.196 -4.974 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.897 9.584 -2.773 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.300 10.977 -3.651 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.121 10.160 -5.754 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.288 8.522 -5.154 1.00 0.00 H new ATOM 175 N GLU A 11 -8.806 9.526 -1.902 1.00 0.00 N ATOM 176 CA GLU A 11 -7.715 10.143 -1.089 1.00 0.00 C ATOM 177 C GLU A 11 -6.358 9.544 -1.474 1.00 0.00 C ATOM 178 O GLU A 11 -5.333 10.186 -1.347 1.00 0.00 O ATOM 179 CB GLU A 11 -8.058 9.804 0.363 1.00 0.00 C ATOM 180 CG GLU A 11 -7.043 10.468 1.296 1.00 0.00 C ATOM 181 CD GLU A 11 -7.438 11.928 1.525 1.00 0.00 C ATOM 182 OE1 GLU A 11 -7.912 12.547 0.587 1.00 0.00 O ATOM 183 OE2 GLU A 11 -7.260 12.402 2.635 1.00 0.00 O ATOM 0 H GLU A 11 -9.357 8.817 -1.418 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.643 11.219 -1.250 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.065 10.148 0.600 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.048 8.724 0.507 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.006 9.937 2.247 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.045 10.414 0.862 1.00 0.00 H new ATOM 190 N ILE A 12 -6.350 8.332 -1.971 1.00 0.00 N ATOM 191 CA ILE A 12 -5.062 7.703 -2.402 1.00 0.00 C ATOM 192 C ILE A 12 -4.700 8.143 -3.828 1.00 0.00 C ATOM 193 O ILE A 12 -3.552 8.082 -4.227 1.00 0.00 O ATOM 194 CB ILE A 12 -5.306 6.190 -2.357 1.00 0.00 C ATOM 195 CG1 ILE A 12 -5.763 5.774 -0.954 1.00 0.00 C ATOM 196 CG2 ILE A 12 -4.007 5.456 -2.697 1.00 0.00 C ATOM 197 CD1 ILE A 12 -6.273 4.332 -0.989 1.00 0.00 C ATOM 0 H ILE A 12 -7.179 7.751 -2.097 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.235 7.999 -1.757 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.080 5.933 -3.080 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.936 5.861 -0.250 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.551 6.441 -0.604 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.178 4.380 -2.666 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.678 5.742 -3.696 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.238 5.722 -1.972 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.598 4.037 0.009 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.113 4.260 -1.680 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.472 3.671 -1.320 1.00 0.00 H new ATOM 209 N GLN A 13 -5.662 8.611 -4.587 1.00 0.00 N ATOM 210 CA GLN A 13 -5.365 9.086 -5.974 1.00 0.00 C ATOM 211 C GLN A 13 -5.023 10.580 -5.964 1.00 0.00 C ATOM 212 O GLN A 13 -5.515 11.341 -6.776 1.00 0.00 O ATOM 213 CB GLN A 13 -6.653 8.836 -6.760 1.00 0.00 C ATOM 214 CG GLN A 13 -6.898 7.331 -6.874 1.00 0.00 C ATOM 215 CD GLN A 13 -8.248 7.082 -7.548 1.00 0.00 C ATOM 216 OE1 GLN A 13 -9.147 7.894 -7.451 1.00 0.00 O ATOM 217 NE2 GLN A 13 -8.431 5.987 -8.232 1.00 0.00 N ATOM 0 H GLN A 13 -6.640 8.684 -4.305 1.00 0.00 H new ATOM 0 HA GLN A 13 -4.511 8.570 -6.413 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.495 9.315 -6.261 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.577 9.279 -7.753 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.100 6.865 -7.452 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.884 6.874 -5.885 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.677 5.305 -8.314 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.328 5.813 -8.685 1.00 0.00 H new ATOM 226 N LYS A 14 -4.144 10.992 -5.086 1.00 0.00 N ATOM 227 CA LYS A 14 -3.719 12.424 -5.055 1.00 0.00 C ATOM 228 C LYS A 14 -2.266 12.542 -4.574 1.00 0.00 C ATOM 229 O LYS A 14 -1.854 13.569 -4.068 1.00 0.00 O ATOM 230 CB LYS A 14 -4.676 13.108 -4.071 1.00 0.00 C ATOM 231 CG LYS A 14 -4.564 12.455 -2.687 1.00 0.00 C ATOM 232 CD LYS A 14 -3.622 13.276 -1.807 1.00 0.00 C ATOM 233 CE LYS A 14 -4.078 13.190 -0.349 1.00 0.00 C ATOM 234 NZ LYS A 14 -3.779 14.530 0.228 1.00 0.00 N ATOM 0 H LYS A 14 -3.701 10.396 -4.387 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.759 12.884 -6.042 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.440 14.170 -4.001 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.700 13.032 -4.436 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.548 12.392 -2.223 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.191 11.435 -2.784 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.602 12.904 -1.902 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.614 14.315 -2.136 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.141 12.959 -0.281 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.546 12.403 0.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.855 14.486 1.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.815 14.815 -0.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.459 15.226 -0.140 1.00 0.00 H new ATOM 248 N HIS A 15 -1.480 11.514 -4.776 1.00 0.00 N ATOM 249 CA HIS A 15 -0.040 11.574 -4.384 1.00 0.00 C ATOM 250 C HIS A 15 0.820 11.900 -5.616 1.00 0.00 C ATOM 251 O HIS A 15 0.341 12.479 -6.571 1.00 0.00 O ATOM 252 CB HIS A 15 0.269 10.177 -3.834 1.00 0.00 C ATOM 253 CG HIS A 15 -0.473 9.978 -2.540 1.00 0.00 C ATOM 254 ND1 HIS A 15 -1.799 9.755 -2.267 1.00 0.00 N flip ATOM 255 CD2 HIS A 15 0.168 9.998 -1.311 1.00 0.00 C flip ATOM 256 CE1 HIS A 15 -1.981 9.639 -0.892 1.00 0.00 C flip ATOM 257 NE2 HIS A 15 -0.765 9.793 -0.364 1.00 0.00 N flip ATOM 0 H HIS A 15 -1.776 10.633 -5.197 1.00 0.00 H new ATOM 0 HA HIS A 15 0.173 12.348 -3.646 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.025 9.416 -4.556 1.00 0.00 H new ATOM 0 HB3 HIS A 15 1.341 10.066 -3.673 1.00 0.00 H new ATOM 0 HD2 HIS A 15 1.224 10.150 -1.144 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -2.907 9.462 -0.365 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -0.567 9.759 0.636 1.00 0.00 H new ATOM 266 N LYS A 16 2.084 11.537 -5.605 1.00 0.00 N ATOM 267 CA LYS A 16 2.979 11.826 -6.777 1.00 0.00 C ATOM 268 C LYS A 16 2.991 13.327 -7.078 1.00 0.00 C ATOM 269 O LYS A 16 2.801 13.748 -8.203 1.00 0.00 O ATOM 270 CB LYS A 16 2.399 11.040 -7.961 1.00 0.00 C ATOM 271 CG LYS A 16 3.080 9.672 -8.047 1.00 0.00 C ATOM 272 CD LYS A 16 3.159 9.233 -9.511 1.00 0.00 C ATOM 273 CE LYS A 16 1.792 8.715 -9.963 1.00 0.00 C ATOM 274 NZ LYS A 16 1.857 8.709 -11.451 1.00 0.00 N ATOM 0 H LYS A 16 2.537 11.051 -4.831 1.00 0.00 H new ATOM 0 HA LYS A 16 4.009 11.532 -6.576 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.323 10.916 -7.837 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.551 11.593 -8.888 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.080 9.724 -7.617 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.521 8.938 -7.466 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.467 10.071 -10.137 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.912 8.454 -9.628 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.599 7.716 -9.572 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.988 9.358 -9.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.954 8.365 -11.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.035 9.674 -11.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.627 8.083 -11.762 1.00 0.00 H new ATOM 288 N ASP A 17 3.262 14.130 -6.081 1.00 0.00 N ATOM 289 CA ASP A 17 3.348 15.605 -6.296 1.00 0.00 C ATOM 290 C ASP A 17 3.953 16.276 -5.060 1.00 0.00 C ATOM 291 O ASP A 17 4.853 17.088 -5.162 1.00 0.00 O ATOM 292 CB ASP A 17 1.904 16.062 -6.503 1.00 0.00 C ATOM 293 CG ASP A 17 1.883 17.557 -6.826 1.00 0.00 C ATOM 294 OD1 ASP A 17 2.298 18.332 -5.980 1.00 0.00 O ATOM 295 OD2 ASP A 17 1.452 17.904 -7.914 1.00 0.00 O ATOM 0 H ASP A 17 3.428 13.825 -5.122 1.00 0.00 H new ATOM 0 HA ASP A 17 3.980 15.866 -7.145 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.446 15.497 -7.315 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.317 15.865 -5.606 1.00 0.00 H new ATOM 300 N SER A 18 3.496 15.901 -3.891 1.00 0.00 N ATOM 301 CA SER A 18 4.073 16.466 -2.634 1.00 0.00 C ATOM 302 C SER A 18 3.556 15.686 -1.422 1.00 0.00 C ATOM 303 O SER A 18 3.098 16.263 -0.453 1.00 0.00 O ATOM 304 CB SER A 18 3.586 17.915 -2.587 1.00 0.00 C ATOM 305 OG SER A 18 4.568 18.760 -3.171 1.00 0.00 O ATOM 0 H SER A 18 2.745 15.225 -3.754 1.00 0.00 H new ATOM 0 HA SER A 18 5.161 16.403 -2.614 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.642 18.011 -3.123 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.399 18.214 -1.556 1.00 0.00 H new ATOM 0 HG SER A 18 4.786 18.435 -4.070 1.00 0.00 H new ATOM 311 N LYS A 19 3.652 14.381 -1.459 1.00 0.00 N ATOM 312 CA LYS A 19 3.196 13.557 -0.299 1.00 0.00 C ATOM 313 C LYS A 19 4.217 12.445 -0.013 1.00 0.00 C ATOM 314 O LYS A 19 5.388 12.582 -0.311 1.00 0.00 O ATOM 315 CB LYS A 19 1.851 12.975 -0.741 1.00 0.00 C ATOM 316 CG LYS A 19 0.940 12.800 0.477 1.00 0.00 C ATOM 317 CD LYS A 19 0.074 14.049 0.651 1.00 0.00 C ATOM 318 CE LYS A 19 -0.313 14.201 2.124 1.00 0.00 C ATOM 319 NZ LYS A 19 -0.412 15.670 2.345 1.00 0.00 N ATOM 0 H LYS A 19 4.027 13.850 -2.245 1.00 0.00 H new ATOM 0 HA LYS A 19 3.101 14.135 0.620 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.379 13.636 -1.468 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.004 12.015 -1.234 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.308 11.921 0.348 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.540 12.633 1.372 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.618 14.931 0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.822 13.972 0.035 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.260 13.705 2.337 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.436 13.753 2.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.674 15.855 3.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.506 16.114 2.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.137 16.068 1.714 1.00 0.00 H new ATOM 333 N SER A 20 3.782 11.342 0.550 1.00 0.00 N ATOM 334 CA SER A 20 4.725 10.220 0.839 1.00 0.00 C ATOM 335 C SER A 20 4.575 9.110 -0.208 1.00 0.00 C ATOM 336 O SER A 20 4.064 9.331 -1.289 1.00 0.00 O ATOM 337 CB SER A 20 4.314 9.711 2.221 1.00 0.00 C ATOM 338 OG SER A 20 4.291 10.800 3.134 1.00 0.00 O ATOM 0 H SER A 20 2.813 11.173 0.821 1.00 0.00 H new ATOM 0 HA SER A 20 5.767 10.539 0.810 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.331 9.242 2.171 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.014 8.949 2.564 1.00 0.00 H new ATOM 0 HG SER A 20 4.026 10.478 4.021 1.00 0.00 H new ATOM 344 N THR A 21 4.993 7.913 0.121 1.00 0.00 N ATOM 345 CA THR A 21 4.851 6.773 -0.836 1.00 0.00 C ATOM 346 C THR A 21 3.685 5.866 -0.420 1.00 0.00 C ATOM 347 O THR A 21 3.869 4.871 0.253 1.00 0.00 O ATOM 348 CB THR A 21 6.186 6.015 -0.766 1.00 0.00 C ATOM 349 OG1 THR A 21 6.129 4.887 -1.628 1.00 0.00 O ATOM 350 CG2 THR A 21 6.464 5.545 0.668 1.00 0.00 C ATOM 0 H THR A 21 5.427 7.676 1.013 1.00 0.00 H new ATOM 0 HA THR A 21 4.635 7.114 -1.849 1.00 0.00 H new ATOM 0 HB THR A 21 6.988 6.684 -1.077 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.979 4.401 -1.588 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.413 5.010 0.698 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.513 6.409 1.331 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.663 4.882 0.995 1.00 0.00 H new ATOM 358 N TRP A 22 2.493 6.185 -0.856 1.00 0.00 N ATOM 359 CA TRP A 22 1.315 5.325 -0.530 1.00 0.00 C ATOM 360 C TRP A 22 1.272 4.108 -1.461 1.00 0.00 C ATOM 361 O TRP A 22 0.433 4.017 -2.338 1.00 0.00 O ATOM 362 CB TRP A 22 0.094 6.221 -0.749 1.00 0.00 C ATOM 363 CG TRP A 22 -0.202 6.979 0.509 1.00 0.00 C ATOM 364 CD1 TRP A 22 0.716 7.632 1.261 1.00 0.00 C ATOM 365 CD2 TRP A 22 -1.486 7.178 1.170 1.00 0.00 C ATOM 366 NE1 TRP A 22 0.077 8.214 2.341 1.00 0.00 N ATOM 367 CE2 TRP A 22 -1.280 7.965 2.328 1.00 0.00 C ATOM 368 CE3 TRP A 22 -2.795 6.755 0.879 1.00 0.00 C ATOM 369 CZ2 TRP A 22 -2.336 8.319 3.168 1.00 0.00 C ATOM 370 CZ3 TRP A 22 -3.861 7.111 1.723 1.00 0.00 C ATOM 371 CH2 TRP A 22 -3.632 7.891 2.865 1.00 0.00 C ATOM 0 H TRP A 22 2.284 7.006 -1.425 1.00 0.00 H new ATOM 0 HA TRP A 22 1.355 4.939 0.489 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.281 6.915 -1.569 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -0.767 5.617 -1.033 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.774 7.689 1.052 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.551 8.761 3.060 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.982 6.153 0.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -2.154 8.920 4.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.863 6.782 1.490 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.455 8.161 3.510 1.00 0.00 H new ATOM 382 N VAL A 23 2.121 3.142 -1.222 1.00 0.00 N ATOM 383 CA VAL A 23 2.084 1.885 -2.028 1.00 0.00 C ATOM 384 C VAL A 23 0.961 0.983 -1.509 1.00 0.00 C ATOM 385 O VAL A 23 0.761 0.859 -0.317 1.00 0.00 O ATOM 386 CB VAL A 23 3.457 1.233 -1.811 1.00 0.00 C ATOM 387 CG1 VAL A 23 3.531 -0.095 -2.570 1.00 0.00 C ATOM 388 CG2 VAL A 23 4.553 2.170 -2.328 1.00 0.00 C ATOM 0 H VAL A 23 2.841 3.170 -0.500 1.00 0.00 H new ATOM 0 HA VAL A 23 1.892 2.064 -3.086 1.00 0.00 H new ATOM 0 HB VAL A 23 3.600 1.048 -0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.508 -0.551 -2.411 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.753 -0.766 -2.205 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.384 0.086 -3.635 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.528 1.708 -2.175 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.402 2.354 -3.392 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.509 3.115 -1.786 1.00 0.00 H new ATOM 398 N ILE A 24 0.215 0.371 -2.392 1.00 0.00 N ATOM 399 CA ILE A 24 -0.910 -0.505 -1.943 1.00 0.00 C ATOM 400 C ILE A 24 -0.585 -1.976 -2.217 1.00 0.00 C ATOM 401 O ILE A 24 -0.157 -2.336 -3.297 1.00 0.00 O ATOM 402 CB ILE A 24 -2.123 -0.053 -2.766 1.00 0.00 C ATOM 403 CG1 ILE A 24 -2.413 1.429 -2.488 1.00 0.00 C ATOM 404 CG2 ILE A 24 -3.347 -0.890 -2.380 1.00 0.00 C ATOM 405 CD1 ILE A 24 -2.805 2.129 -3.791 1.00 0.00 C ATOM 0 H ILE A 24 0.335 0.439 -3.403 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.094 -0.421 -0.872 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.908 -0.189 -3.826 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.217 1.522 -1.758 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.534 1.907 -2.057 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.208 -0.567 -2.966 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.146 -1.942 -2.580 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.559 -0.756 -1.319 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.010 3.181 -3.591 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.988 2.049 -4.507 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.697 1.657 -4.204 1.00 0.00 H new ATOM 417 N LEU A 25 -0.875 -2.834 -1.272 1.00 0.00 N ATOM 418 CA LEU A 25 -0.686 -4.298 -1.495 1.00 0.00 C ATOM 419 C LEU A 25 -2.028 -4.935 -1.861 1.00 0.00 C ATOM 420 O LEU A 25 -2.447 -5.911 -1.270 1.00 0.00 O ATOM 421 CB LEU A 25 -0.176 -4.844 -0.155 1.00 0.00 C ATOM 422 CG LEU A 25 1.360 -4.797 -0.105 1.00 0.00 C ATOM 423 CD1 LEU A 25 1.949 -5.663 -1.221 1.00 0.00 C ATOM 424 CD2 LEU A 25 1.843 -3.351 -0.269 1.00 0.00 C ATOM 0 H LEU A 25 -1.236 -2.582 -0.352 1.00 0.00 H new ATOM 0 HA LEU A 25 0.009 -4.514 -2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.591 -4.258 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.519 -5.870 -0.019 1.00 0.00 H new ATOM 0 HG LEU A 25 1.692 -5.182 0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.037 -5.623 -1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.619 -6.694 -1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.611 -5.290 -2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.932 -3.325 -0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.502 -2.960 -1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.438 -2.739 0.537 1.00 0.00 H new ATOM 436 N HIS A 26 -2.709 -4.374 -2.831 1.00 0.00 N ATOM 437 CA HIS A 26 -4.041 -4.916 -3.259 1.00 0.00 C ATOM 438 C HIS A 26 -5.020 -4.962 -2.075 1.00 0.00 C ATOM 439 O HIS A 26 -6.045 -5.611 -2.144 1.00 0.00 O ATOM 440 CB HIS A 26 -3.775 -6.332 -3.791 1.00 0.00 C ATOM 441 CG HIS A 26 -2.764 -6.278 -4.905 1.00 0.00 C ATOM 442 ND1 HIS A 26 -3.120 -6.416 -6.236 1.00 0.00 N ATOM 443 CD2 HIS A 26 -1.402 -6.101 -4.898 1.00 0.00 C ATOM 444 CE1 HIS A 26 -1.996 -6.321 -6.970 1.00 0.00 C ATOM 445 NE2 HIS A 26 -0.919 -6.128 -6.203 1.00 0.00 N ATOM 0 H HIS A 26 -2.396 -3.554 -3.351 1.00 0.00 H new ATOM 0 HA HIS A 26 -4.496 -4.282 -4.020 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.409 -6.970 -2.986 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -4.703 -6.775 -4.152 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -0.797 -5.962 -4.014 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.968 -6.392 -8.047 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.049 -6.023 -6.508 1.00 0.00 H new ATOM 453 N HIS A 27 -4.752 -4.218 -1.023 1.00 0.00 N ATOM 454 CA HIS A 27 -5.708 -4.148 0.130 1.00 0.00 C ATOM 455 C HIS A 27 -5.201 -3.147 1.172 1.00 0.00 C ATOM 456 O HIS A 27 -5.840 -2.149 1.449 1.00 0.00 O ATOM 457 CB HIS A 27 -5.744 -5.555 0.737 1.00 0.00 C ATOM 458 CG HIS A 27 -6.793 -5.602 1.813 1.00 0.00 C ATOM 459 ND1 HIS A 27 -8.003 -4.964 1.943 1.00 0.00 N flip ATOM 460 CD2 HIS A 27 -6.654 -6.382 2.950 1.00 0.00 C flip ATOM 461 CE1 HIS A 27 -8.605 -5.340 3.140 1.00 0.00 C flip ATOM 462 NE2 HIS A 27 -7.750 -6.195 3.707 1.00 0.00 N flip ATOM 0 H HIS A 27 -3.908 -3.655 -0.915 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.697 -3.823 -0.192 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.965 -6.292 -0.035 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.769 -5.810 1.152 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.818 -7.023 3.185 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.558 -5.011 3.527 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -7.909 -6.651 4.605 1.00 0.00 H new ATOM 470 N LYS A 28 -4.056 -3.412 1.748 1.00 0.00 N ATOM 471 CA LYS A 28 -3.493 -2.484 2.777 1.00 0.00 C ATOM 472 C LYS A 28 -2.797 -1.297 2.105 1.00 0.00 C ATOM 473 O LYS A 28 -2.188 -1.435 1.061 1.00 0.00 O ATOM 474 CB LYS A 28 -2.484 -3.324 3.559 1.00 0.00 C ATOM 475 CG LYS A 28 -3.164 -3.926 4.790 1.00 0.00 C ATOM 476 CD LYS A 28 -2.122 -4.645 5.649 1.00 0.00 C ATOM 477 CE LYS A 28 -2.504 -4.519 7.127 1.00 0.00 C ATOM 478 NZ LYS A 28 -3.770 -5.291 7.263 1.00 0.00 N ATOM 0 H LYS A 28 -3.485 -4.233 1.550 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.268 -2.070 3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.087 -4.117 2.926 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.639 -2.706 3.863 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.650 -3.142 5.370 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.942 -4.625 4.483 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.064 -5.696 5.366 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.135 -4.214 5.479 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.724 -4.923 7.772 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.645 -3.476 7.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.944 -5.498 8.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.560 -4.732 6.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.691 -6.183 6.734 1.00 0.00 H new ATOM 492 N VAL A 29 -2.833 -0.145 2.731 1.00 0.00 N ATOM 493 CA VAL A 29 -2.119 1.039 2.170 1.00 0.00 C ATOM 494 C VAL A 29 -0.795 1.238 2.911 1.00 0.00 C ATOM 495 O VAL A 29 -0.762 1.314 4.126 1.00 0.00 O ATOM 496 CB VAL A 29 -3.056 2.228 2.411 1.00 0.00 C ATOM 497 CG1 VAL A 29 -2.435 3.497 1.824 1.00 0.00 C ATOM 498 CG2 VAL A 29 -4.407 1.968 1.736 1.00 0.00 C ATOM 0 H VAL A 29 -3.327 0.024 3.607 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.885 0.922 1.112 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.204 2.355 3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.102 4.342 1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.476 3.689 2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.284 3.366 0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.070 2.816 1.910 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.259 1.837 0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.855 1.066 2.153 1.00 0.00 H new ATOM 508 N TYR A 30 0.297 1.298 2.192 1.00 0.00 N ATOM 509 CA TYR A 30 1.624 1.465 2.856 1.00 0.00 C ATOM 510 C TYR A 30 2.172 2.878 2.641 1.00 0.00 C ATOM 511 O TYR A 30 2.486 3.261 1.531 1.00 0.00 O ATOM 512 CB TYR A 30 2.545 0.447 2.179 1.00 0.00 C ATOM 513 CG TYR A 30 2.199 -0.947 2.638 1.00 0.00 C ATOM 514 CD1 TYR A 30 0.982 -1.528 2.263 1.00 0.00 C ATOM 515 CD2 TYR A 30 3.100 -1.662 3.433 1.00 0.00 C ATOM 516 CE1 TYR A 30 0.666 -2.824 2.686 1.00 0.00 C ATOM 517 CE2 TYR A 30 2.787 -2.958 3.855 1.00 0.00 C ATOM 518 CZ TYR A 30 1.568 -3.539 3.482 1.00 0.00 C ATOM 519 OH TYR A 30 1.258 -4.818 3.899 1.00 0.00 O ATOM 0 H TYR A 30 0.326 1.239 1.174 1.00 0.00 H new ATOM 0 HA TYR A 30 1.550 1.312 3.933 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.445 0.517 1.096 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.585 0.670 2.418 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.287 -0.976 1.647 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.039 -1.213 3.722 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.274 -3.272 2.398 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.484 -3.510 4.468 1.00 0.00 H new ATOM 0 HH TYR A 30 1.993 -5.172 4.442 1.00 0.00 H new ATOM 529 N ASP A 31 2.465 3.569 3.712 1.00 0.00 N ATOM 530 CA ASP A 31 3.204 4.862 3.592 1.00 0.00 C ATOM 531 C ASP A 31 4.645 4.636 4.047 1.00 0.00 C ATOM 532 O ASP A 31 4.962 4.755 5.216 1.00 0.00 O ATOM 533 CB ASP A 31 2.485 5.831 4.530 1.00 0.00 C ATOM 534 CG ASP A 31 2.867 7.267 4.168 1.00 0.00 C ATOM 535 OD1 ASP A 31 4.042 7.513 3.956 1.00 0.00 O ATOM 536 OD2 ASP A 31 1.975 8.099 4.107 1.00 0.00 O ATOM 0 H ASP A 31 2.225 3.294 4.664 1.00 0.00 H new ATOM 0 HA ASP A 31 3.227 5.251 2.574 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.406 5.699 4.450 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.756 5.621 5.565 1.00 0.00 H new ATOM 541 N LEU A 32 5.487 4.189 3.152 1.00 0.00 N ATOM 542 CA LEU A 32 6.880 3.810 3.551 1.00 0.00 C ATOM 543 C LEU A 32 7.846 4.969 3.275 1.00 0.00 C ATOM 544 O LEU A 32 8.713 4.876 2.424 1.00 0.00 O ATOM 545 CB LEU A 32 7.259 2.579 2.696 1.00 0.00 C ATOM 546 CG LEU A 32 6.073 1.602 2.561 1.00 0.00 C ATOM 547 CD1 LEU A 32 5.417 1.779 1.185 1.00 0.00 C ATOM 548 CD2 LEU A 32 6.568 0.156 2.708 1.00 0.00 C ATOM 0 H LEU A 32 5.273 4.069 2.162 1.00 0.00 H new ATOM 0 HA LEU A 32 6.939 3.584 4.616 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.578 2.906 1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.106 2.065 3.150 1.00 0.00 H new ATOM 0 HG LEU A 32 5.345 1.814 3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.579 1.088 1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.057 2.803 1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.148 1.572 0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.725 -0.529 2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.301 -0.059 1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.030 0.027 3.687 1.00 0.00 H new ATOM 560 N THR A 33 7.739 6.036 4.027 1.00 0.00 N ATOM 561 CA THR A 33 8.692 7.176 3.854 1.00 0.00 C ATOM 562 C THR A 33 10.098 6.753 4.290 1.00 0.00 C ATOM 563 O THR A 33 11.073 7.027 3.617 1.00 0.00 O ATOM 564 CB THR A 33 8.167 8.292 4.759 1.00 0.00 C ATOM 565 OG1 THR A 33 8.145 7.840 6.105 1.00 0.00 O ATOM 566 CG2 THR A 33 6.753 8.688 4.327 1.00 0.00 C ATOM 0 H THR A 33 7.034 6.167 4.752 1.00 0.00 H new ATOM 0 HA THR A 33 8.757 7.499 2.815 1.00 0.00 H new ATOM 0 HB THR A 33 8.822 9.159 4.678 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.810 8.556 6.685 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.384 9.483 4.975 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.773 9.040 3.296 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.094 7.823 4.402 1.00 0.00 H new ATOM 574 N LYS A 34 10.197 6.029 5.380 1.00 0.00 N ATOM 575 CA LYS A 34 11.532 5.517 5.825 1.00 0.00 C ATOM 576 C LYS A 34 12.127 4.609 4.745 1.00 0.00 C ATOM 577 O LYS A 34 13.324 4.587 4.529 1.00 0.00 O ATOM 578 CB LYS A 34 11.254 4.719 7.102 1.00 0.00 C ATOM 579 CG LYS A 34 11.566 5.584 8.326 1.00 0.00 C ATOM 580 CD LYS A 34 10.585 5.249 9.452 1.00 0.00 C ATOM 581 CE LYS A 34 10.557 6.396 10.464 1.00 0.00 C ATOM 582 NZ LYS A 34 9.158 6.428 10.970 1.00 0.00 N ATOM 0 H LYS A 34 9.413 5.771 5.979 1.00 0.00 H new ATOM 0 HA LYS A 34 12.246 6.322 6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.212 4.401 7.125 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.863 3.815 7.118 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.590 5.409 8.657 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.491 6.640 8.067 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.588 5.086 9.043 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.883 4.323 9.944 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.266 6.225 11.274 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.829 7.342 9.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.059 7.191 11.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.506 6.599 10.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.929 5.517 11.416 1.00 0.00 H new ATOM 596 N PHE A 35 11.284 3.934 4.005 1.00 0.00 N ATOM 597 CA PHE A 35 11.773 3.107 2.864 1.00 0.00 C ATOM 598 C PHE A 35 12.027 4.008 1.652 1.00 0.00 C ATOM 599 O PHE A 35 13.047 3.910 0.995 1.00 0.00 O ATOM 600 CB PHE A 35 10.635 2.124 2.577 1.00 0.00 C ATOM 601 CG PHE A 35 11.021 1.212 1.436 1.00 0.00 C ATOM 602 CD1 PHE A 35 12.000 0.230 1.622 1.00 0.00 C ATOM 603 CD2 PHE A 35 10.396 1.354 0.192 1.00 0.00 C ATOM 604 CE1 PHE A 35 12.355 -0.611 0.560 1.00 0.00 C ATOM 605 CE2 PHE A 35 10.751 0.514 -0.869 1.00 0.00 C ATOM 606 CZ PHE A 35 11.730 -0.469 -0.686 1.00 0.00 C ATOM 0 H PHE A 35 10.274 3.921 4.144 1.00 0.00 H new ATOM 0 HA PHE A 35 12.707 2.590 3.085 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.418 1.535 3.468 1.00 0.00 H new ATOM 0 HB3 PHE A 35 9.725 2.670 2.326 1.00 0.00 H new ATOM 0 HD1 PHE A 35 12.481 0.121 2.583 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.640 2.112 0.051 1.00 0.00 H new ATOM 0 HE1 PHE A 35 13.111 -1.369 0.701 1.00 0.00 H new ATOM 0 HE2 PHE A 35 10.269 0.624 -1.829 1.00 0.00 H new ATOM 0 HZ PHE A 35 12.004 -1.118 -1.505 1.00 0.00 H new ATOM 616 N LEU A 36 11.127 4.920 1.394 1.00 0.00 N ATOM 617 CA LEU A 36 11.325 5.883 0.267 1.00 0.00 C ATOM 618 C LEU A 36 12.577 6.729 0.523 1.00 0.00 C ATOM 619 O LEU A 36 13.264 7.127 -0.398 1.00 0.00 O ATOM 620 CB LEU A 36 10.053 6.754 0.265 1.00 0.00 C ATOM 621 CG LEU A 36 9.972 7.659 -0.985 1.00 0.00 C ATOM 622 CD1 LEU A 36 10.988 8.797 -0.874 1.00 0.00 C ATOM 623 CD2 LEU A 36 10.241 6.850 -2.264 1.00 0.00 C ATOM 0 H LEU A 36 10.259 5.041 1.917 1.00 0.00 H new ATOM 0 HA LEU A 36 11.472 5.389 -0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.174 6.111 0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.036 7.373 1.162 1.00 0.00 H new ATOM 0 HG LEU A 36 8.966 8.074 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.924 9.430 -1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.772 9.392 0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.993 8.381 -0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.179 7.508 -3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.237 6.410 -2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.498 6.057 -2.356 1.00 0.00 H new ATOM 635 N GLU A 37 12.895 6.970 1.769 1.00 0.00 N ATOM 636 CA GLU A 37 14.127 7.749 2.097 1.00 0.00 C ATOM 637 C GLU A 37 15.368 6.865 1.948 1.00 0.00 C ATOM 638 O GLU A 37 16.437 7.336 1.606 1.00 0.00 O ATOM 639 CB GLU A 37 13.951 8.183 3.553 1.00 0.00 C ATOM 640 CG GLU A 37 15.030 9.205 3.917 1.00 0.00 C ATOM 641 CD GLU A 37 15.058 9.402 5.434 1.00 0.00 C ATOM 642 OE1 GLU A 37 14.031 9.766 5.982 1.00 0.00 O ATOM 643 OE2 GLU A 37 16.105 9.184 6.019 1.00 0.00 O ATOM 0 H GLU A 37 12.353 6.660 2.576 1.00 0.00 H new ATOM 0 HA GLU A 37 14.262 8.602 1.432 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.961 8.617 3.697 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.018 7.317 4.212 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.003 8.862 3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 37 14.829 10.154 3.420 1.00 0.00 H new ATOM 650 N GLU A 38 15.222 5.583 2.164 1.00 0.00 N ATOM 651 CA GLU A 38 16.377 4.652 1.994 1.00 0.00 C ATOM 652 C GLU A 38 16.497 4.220 0.530 1.00 0.00 C ATOM 653 O GLU A 38 17.580 3.957 0.040 1.00 0.00 O ATOM 654 CB GLU A 38 16.052 3.451 2.882 1.00 0.00 C ATOM 655 CG GLU A 38 17.352 2.812 3.374 1.00 0.00 C ATOM 656 CD GLU A 38 17.984 3.702 4.447 1.00 0.00 C ATOM 657 OE1 GLU A 38 17.549 3.625 5.584 1.00 0.00 O ATOM 658 OE2 GLU A 38 18.892 4.445 4.112 1.00 0.00 O ATOM 0 H GLU A 38 14.350 5.140 2.452 1.00 0.00 H new ATOM 0 HA GLU A 38 17.325 5.116 2.267 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.446 3.767 3.731 1.00 0.00 H new ATOM 0 HB3 GLU A 38 15.464 2.722 2.324 1.00 0.00 H new ATOM 0 HG2 GLU A 38 17.151 1.821 3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 38 18.043 2.681 2.541 1.00 0.00 H new ATOM 665 N HIS A 39 15.398 4.183 -0.179 1.00 0.00 N ATOM 666 CA HIS A 39 15.443 3.813 -1.625 1.00 0.00 C ATOM 667 C HIS A 39 14.908 4.967 -2.486 1.00 0.00 C ATOM 668 O HIS A 39 13.744 4.980 -2.835 1.00 0.00 O ATOM 669 CB HIS A 39 14.538 2.586 -1.749 1.00 0.00 C ATOM 670 CG HIS A 39 15.111 1.455 -0.941 1.00 0.00 C ATOM 671 ND1 HIS A 39 14.612 1.109 0.306 1.00 0.00 N ATOM 672 CD2 HIS A 39 16.141 0.580 -1.187 1.00 0.00 C ATOM 673 CE1 HIS A 39 15.335 0.069 0.758 1.00 0.00 C ATOM 674 NE2 HIS A 39 16.280 -0.294 -0.113 1.00 0.00 N ATOM 0 H HIS A 39 14.468 4.394 0.183 1.00 0.00 H new ATOM 0 HA HIS A 39 16.457 3.607 -1.967 1.00 0.00 H new ATOM 0 HB2 HIS A 39 13.534 2.825 -1.398 1.00 0.00 H new ATOM 0 HB3 HIS A 39 14.449 2.291 -2.795 1.00 0.00 H new ATOM 0 HD1 HIS A 39 13.837 1.561 0.792 1.00 0.00 H new ATOM 0 HD2 HIS A 39 16.750 0.572 -2.079 1.00 0.00 H new ATOM 0 HE1 HIS A 39 15.171 -0.414 1.710 1.00 0.00 H new ATOM 682 N PRO A 40 15.773 5.911 -2.808 1.00 0.00 N ATOM 683 CA PRO A 40 15.356 7.077 -3.640 1.00 0.00 C ATOM 684 C PRO A 40 14.678 6.612 -4.936 1.00 0.00 C ATOM 685 O PRO A 40 15.336 6.219 -5.882 1.00 0.00 O ATOM 686 CB PRO A 40 16.673 7.786 -3.950 1.00 0.00 C ATOM 687 CG PRO A 40 17.594 7.385 -2.844 1.00 0.00 C ATOM 688 CD PRO A 40 17.196 5.993 -2.435 1.00 0.00 C ATOM 0 HA PRO A 40 14.633 7.718 -3.134 1.00 0.00 H new ATOM 0 HB2 PRO A 40 17.066 7.483 -4.921 1.00 0.00 H new ATOM 0 HB3 PRO A 40 16.542 8.868 -3.982 1.00 0.00 H new ATOM 0 HG2 PRO A 40 18.632 7.409 -3.176 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.512 8.074 -2.003 1.00 0.00 H new ATOM 0 HD2 PRO A 40 17.789 5.239 -2.952 1.00 0.00 H new ATOM 0 HD3 PRO A 40 17.339 5.834 -1.366 1.00 0.00 H new ATOM 696 N GLY A 41 13.374 6.693 -4.995 1.00 0.00 N ATOM 697 CA GLY A 41 12.648 6.300 -6.239 1.00 0.00 C ATOM 698 C GLY A 41 11.343 7.092 -6.342 1.00 0.00 C ATOM 699 O GLY A 41 11.306 8.172 -6.901 1.00 0.00 O ATOM 0 H GLY A 41 12.779 7.016 -4.232 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.272 6.492 -7.112 1.00 0.00 H new ATOM 0 HA3 GLY A 41 12.437 5.231 -6.227 1.00 0.00 H new ATOM 703 N GLY A 42 10.283 6.577 -5.773 1.00 0.00 N ATOM 704 CA GLY A 42 8.983 7.312 -5.795 1.00 0.00 C ATOM 705 C GLY A 42 7.964 6.576 -4.924 1.00 0.00 C ATOM 706 O GLY A 42 8.319 5.900 -3.977 1.00 0.00 O ATOM 0 H GLY A 42 10.262 5.677 -5.293 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.122 8.329 -5.429 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.614 7.389 -6.818 1.00 0.00 H new ATOM 710 N GLU A 43 6.703 6.669 -5.265 1.00 0.00 N ATOM 711 CA GLU A 43 5.656 5.939 -4.487 1.00 0.00 C ATOM 712 C GLU A 43 5.778 4.432 -4.721 1.00 0.00 C ATOM 713 O GLU A 43 6.235 3.699 -3.864 1.00 0.00 O ATOM 714 CB GLU A 43 4.320 6.458 -5.024 1.00 0.00 C ATOM 715 CG GLU A 43 3.815 7.594 -4.131 1.00 0.00 C ATOM 716 CD GLU A 43 3.116 8.648 -4.990 1.00 0.00 C ATOM 717 OE1 GLU A 43 1.930 8.497 -5.232 1.00 0.00 O ATOM 718 OE2 GLU A 43 3.780 9.588 -5.394 1.00 0.00 O ATOM 0 H GLU A 43 6.353 7.219 -6.049 1.00 0.00 H new ATOM 0 HA GLU A 43 5.753 6.104 -3.414 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.441 6.813 -6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.589 5.650 -5.051 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.125 7.203 -3.383 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.648 8.044 -3.591 1.00 0.00 H new ATOM 725 N GLU A 44 5.405 3.973 -5.889 1.00 0.00 N ATOM 726 CA GLU A 44 5.532 2.517 -6.203 1.00 0.00 C ATOM 727 C GLU A 44 7.008 2.134 -6.362 1.00 0.00 C ATOM 728 O GLU A 44 7.458 1.795 -7.440 1.00 0.00 O ATOM 729 CB GLU A 44 4.769 2.319 -7.521 1.00 0.00 C ATOM 730 CG GLU A 44 5.389 3.188 -8.625 1.00 0.00 C ATOM 731 CD GLU A 44 4.279 3.864 -9.436 1.00 0.00 C ATOM 732 OE1 GLU A 44 3.679 4.793 -8.920 1.00 0.00 O ATOM 733 OE2 GLU A 44 4.050 3.442 -10.556 1.00 0.00 O ATOM 0 H GLU A 44 5.017 4.545 -6.640 1.00 0.00 H new ATOM 0 HA GLU A 44 5.130 1.888 -5.409 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.799 1.269 -7.814 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.720 2.582 -7.386 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.041 3.942 -8.184 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.008 2.574 -9.279 1.00 0.00 H new ATOM 740 N VAL A 45 7.752 2.154 -5.286 1.00 0.00 N ATOM 741 CA VAL A 45 9.191 1.755 -5.354 1.00 0.00 C ATOM 742 C VAL A 45 9.412 0.402 -4.662 1.00 0.00 C ATOM 743 O VAL A 45 10.385 -0.280 -4.926 1.00 0.00 O ATOM 744 CB VAL A 45 9.951 2.877 -4.631 1.00 0.00 C ATOM 745 CG1 VAL A 45 9.460 3.003 -3.184 1.00 0.00 C ATOM 746 CG2 VAL A 45 11.453 2.567 -4.635 1.00 0.00 C ATOM 0 H VAL A 45 7.424 2.430 -4.360 1.00 0.00 H new ATOM 0 HA VAL A 45 9.535 1.631 -6.381 1.00 0.00 H new ATOM 0 HB VAL A 45 9.769 3.817 -5.151 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.007 3.802 -2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.395 3.234 -3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.629 2.063 -2.659 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.990 3.364 -4.122 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.631 1.621 -4.123 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.807 2.495 -5.663 1.00 0.00 H new ATOM 756 N LEU A 46 8.501 -0.011 -3.813 1.00 0.00 N ATOM 757 CA LEU A 46 8.642 -1.344 -3.145 1.00 0.00 C ATOM 758 C LEU A 46 8.748 -2.453 -4.197 1.00 0.00 C ATOM 759 O LEU A 46 8.517 -2.226 -5.370 1.00 0.00 O ATOM 760 CB LEU A 46 7.372 -1.515 -2.306 1.00 0.00 C ATOM 761 CG LEU A 46 7.690 -1.246 -0.833 1.00 0.00 C ATOM 762 CD1 LEU A 46 7.681 0.262 -0.573 1.00 0.00 C ATOM 763 CD2 LEU A 46 6.638 -1.925 0.047 1.00 0.00 C ATOM 0 H LEU A 46 7.667 0.516 -3.554 1.00 0.00 H new ATOM 0 HA LEU A 46 9.540 -1.401 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.600 -0.829 -2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.978 -2.524 -2.425 1.00 0.00 H new ATOM 0 HG LEU A 46 8.676 -1.646 -0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.908 0.452 0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.432 0.744 -1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.697 0.666 -0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.863 -1.734 1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.652 -1.526 -0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.648 -2.999 -0.137 1.00 0.00 H new ATOM 775 N ARG A 47 9.077 -3.649 -3.782 1.00 0.00 N ATOM 776 CA ARG A 47 9.179 -4.781 -4.755 1.00 0.00 C ATOM 777 C ARG A 47 7.783 -5.197 -5.230 1.00 0.00 C ATOM 778 O ARG A 47 7.349 -6.314 -5.012 1.00 0.00 O ATOM 779 CB ARG A 47 9.849 -5.918 -3.979 1.00 0.00 C ATOM 780 CG ARG A 47 11.302 -5.544 -3.678 1.00 0.00 C ATOM 781 CD ARG A 47 12.096 -5.484 -4.986 1.00 0.00 C ATOM 782 NE ARG A 47 13.523 -5.681 -4.584 1.00 0.00 N ATOM 783 CZ ARG A 47 14.516 -5.300 -5.365 1.00 0.00 C ATOM 784 NH1 ARG A 47 14.298 -4.769 -6.546 1.00 0.00 N ATOM 785 NH2 ARG A 47 15.745 -5.453 -4.953 1.00 0.00 N ATOM 0 H ARG A 47 9.280 -3.892 -2.812 1.00 0.00 H new ATOM 0 HA ARG A 47 9.748 -4.511 -5.645 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.311 -6.105 -3.050 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.812 -6.840 -4.560 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.343 -4.580 -3.171 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.745 -6.277 -3.004 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.771 -6.259 -5.680 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.956 -4.527 -5.489 1.00 0.00 H new ATOM 0 HE ARG A 47 13.733 -6.119 -3.687 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.342 -4.642 -6.880 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.084 -4.483 -7.130 1.00 0.00 H new ATOM 0 HH21 ARG A 47 15.929 -5.863 -4.037 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.522 -5.163 -5.547 1.00 0.00 H new ATOM 799 N GLU A 48 7.097 -4.320 -5.919 1.00 0.00 N ATOM 800 CA GLU A 48 5.750 -4.671 -6.459 1.00 0.00 C ATOM 801 C GLU A 48 5.423 -3.796 -7.672 1.00 0.00 C ATOM 802 O GLU A 48 5.203 -2.607 -7.548 1.00 0.00 O ATOM 803 CB GLU A 48 4.776 -4.389 -5.314 1.00 0.00 C ATOM 804 CG GLU A 48 3.360 -4.788 -5.737 1.00 0.00 C ATOM 805 CD GLU A 48 2.604 -5.346 -4.529 1.00 0.00 C ATOM 806 OE1 GLU A 48 3.204 -6.093 -3.773 1.00 0.00 O ATOM 807 OE2 GLU A 48 1.439 -5.019 -4.383 1.00 0.00 O ATOM 0 H GLU A 48 7.414 -3.374 -6.131 1.00 0.00 H new ATOM 0 HA GLU A 48 5.696 -5.708 -6.792 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.072 -4.946 -4.425 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.804 -3.332 -5.051 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.833 -3.924 -6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.403 -5.535 -6.529 1.00 0.00 H new ATOM 814 N GLN A 49 5.354 -4.389 -8.837 1.00 0.00 N ATOM 815 CA GLN A 49 4.999 -3.609 -10.060 1.00 0.00 C ATOM 816 C GLN A 49 4.494 -4.554 -11.156 1.00 0.00 C ATOM 817 O GLN A 49 4.049 -5.652 -10.879 1.00 0.00 O ATOM 818 CB GLN A 49 6.305 -2.926 -10.489 1.00 0.00 C ATOM 819 CG GLN A 49 6.040 -1.449 -10.793 1.00 0.00 C ATOM 820 CD GLN A 49 5.624 -0.728 -9.509 1.00 0.00 C ATOM 821 OE1 GLN A 49 4.498 -0.290 -9.382 1.00 0.00 O ATOM 822 NE2 GLN A 49 6.493 -0.587 -8.545 1.00 0.00 N ATOM 0 H GLN A 49 5.529 -5.382 -8.994 1.00 0.00 H new ATOM 0 HA GLN A 49 4.206 -2.884 -9.877 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.050 -3.016 -9.699 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.713 -3.421 -11.370 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.935 -0.986 -11.208 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.256 -1.357 -11.544 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.438 -0.955 -8.653 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.227 -0.109 -7.684 1.00 0.00 H new ATOM 831 N ALA A 50 4.597 -4.150 -12.398 1.00 0.00 N ATOM 832 CA ALA A 50 4.165 -5.042 -13.519 1.00 0.00 C ATOM 833 C ALA A 50 5.061 -6.281 -13.583 1.00 0.00 C ATOM 834 O ALA A 50 5.976 -6.354 -14.381 1.00 0.00 O ATOM 835 CB ALA A 50 4.322 -4.200 -14.788 1.00 0.00 C ATOM 0 H ALA A 50 4.961 -3.241 -12.684 1.00 0.00 H new ATOM 0 HA ALA A 50 3.141 -5.395 -13.392 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.023 -4.789 -15.655 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.692 -3.314 -14.717 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.363 -3.897 -14.897 1.00 0.00 H new ATOM 841 N GLY A 51 4.780 -7.269 -12.771 1.00 0.00 N ATOM 842 CA GLY A 51 5.583 -8.527 -12.805 1.00 0.00 C ATOM 843 C GLY A 51 5.170 -9.430 -11.642 1.00 0.00 C ATOM 844 O GLY A 51 4.268 -10.238 -11.763 1.00 0.00 O ATOM 0 H GLY A 51 4.026 -7.257 -12.084 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.429 -9.044 -13.752 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.646 -8.294 -12.738 1.00 0.00 H new ATOM 848 N GLY A 52 5.802 -9.275 -10.507 1.00 0.00 N ATOM 849 CA GLY A 52 5.427 -10.093 -9.315 1.00 0.00 C ATOM 850 C GLY A 52 3.989 -9.772 -8.905 1.00 0.00 C ATOM 851 O GLY A 52 3.055 -10.432 -9.318 1.00 0.00 O ATOM 0 H GLY A 52 6.564 -8.615 -10.354 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.522 -11.154 -9.545 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.107 -9.884 -8.489 1.00 0.00 H new ATOM 855 N ASP A 53 3.800 -8.733 -8.124 1.00 0.00 N ATOM 856 CA ASP A 53 2.417 -8.320 -7.710 1.00 0.00 C ATOM 857 C ASP A 53 1.662 -9.500 -7.085 1.00 0.00 C ATOM 858 O ASP A 53 1.101 -10.327 -7.780 1.00 0.00 O ATOM 859 CB ASP A 53 1.725 -7.861 -8.998 1.00 0.00 C ATOM 860 CG ASP A 53 0.334 -7.320 -8.665 1.00 0.00 C ATOM 861 OD1 ASP A 53 -0.559 -8.124 -8.458 1.00 0.00 O ATOM 862 OD2 ASP A 53 0.185 -6.109 -8.623 1.00 0.00 O ATOM 0 H ASP A 53 4.549 -8.149 -7.753 1.00 0.00 H new ATOM 0 HA ASP A 53 2.441 -7.531 -6.959 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.319 -7.089 -9.488 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.645 -8.693 -9.697 1.00 0.00 H new ATOM 867 N ALA A 54 1.611 -9.557 -5.778 1.00 0.00 N ATOM 868 CA ALA A 54 0.853 -10.651 -5.098 1.00 0.00 C ATOM 869 C ALA A 54 0.678 -10.330 -3.611 1.00 0.00 C ATOM 870 O ALA A 54 1.331 -9.452 -3.076 1.00 0.00 O ATOM 871 CB ALA A 54 1.716 -11.900 -5.278 1.00 0.00 C ATOM 0 H ALA A 54 2.063 -8.891 -5.151 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.146 -10.781 -5.514 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.227 -12.751 -4.805 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.847 -12.102 -6.341 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.690 -11.739 -4.817 1.00 0.00 H new ATOM 877 N THR A 55 -0.170 -11.061 -2.933 1.00 0.00 N ATOM 878 CA THR A 55 -0.361 -10.836 -1.468 1.00 0.00 C ATOM 879 C THR A 55 0.288 -11.974 -0.669 1.00 0.00 C ATOM 880 O THR A 55 1.193 -12.631 -1.143 1.00 0.00 O ATOM 881 CB THR A 55 -1.882 -10.814 -1.262 1.00 0.00 C ATOM 882 OG1 THR A 55 -2.169 -10.617 0.116 1.00 0.00 O ATOM 883 CG2 THR A 55 -2.500 -12.136 -1.729 1.00 0.00 C ATOM 0 H THR A 55 -0.740 -11.806 -3.332 1.00 0.00 H new ATOM 0 HA THR A 55 0.103 -9.911 -1.125 1.00 0.00 H new ATOM 0 HB THR A 55 -2.308 -9.999 -1.847 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.559 -9.944 0.484 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.579 -12.107 -1.577 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.286 -12.284 -2.788 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.075 -12.959 -1.155 1.00 0.00 H new ATOM 891 N GLU A 56 -0.186 -12.223 0.530 1.00 0.00 N ATOM 892 CA GLU A 56 0.373 -13.332 1.372 1.00 0.00 C ATOM 893 C GLU A 56 1.884 -13.137 1.585 1.00 0.00 C ATOM 894 O GLU A 56 2.297 -12.512 2.544 1.00 0.00 O ATOM 895 CB GLU A 56 0.075 -14.635 0.613 1.00 0.00 C ATOM 896 CG GLU A 56 -1.284 -15.182 1.054 1.00 0.00 C ATOM 897 CD GLU A 56 -2.370 -14.688 0.097 1.00 0.00 C ATOM 898 OE1 GLU A 56 -2.250 -14.951 -1.089 1.00 0.00 O ATOM 899 OE2 GLU A 56 -3.302 -14.055 0.565 1.00 0.00 O ATOM 0 H GLU A 56 -0.945 -11.699 0.966 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.077 -13.352 2.364 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.074 -14.451 -0.461 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.856 -15.370 0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.263 -16.272 1.065 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.506 -14.857 2.071 1.00 0.00 H new ATOM 906 N ASN A 57 2.707 -13.604 0.674 1.00 0.00 N ATOM 907 CA ASN A 57 4.177 -13.373 0.800 1.00 0.00 C ATOM 908 C ASN A 57 4.524 -11.956 0.333 1.00 0.00 C ATOM 909 O ASN A 57 5.120 -11.765 -0.711 1.00 0.00 O ATOM 910 CB ASN A 57 4.824 -14.418 -0.111 1.00 0.00 C ATOM 911 CG ASN A 57 6.344 -14.370 0.054 1.00 0.00 C ATOM 912 OD1 ASN A 57 6.897 -13.343 0.399 1.00 0.00 O ATOM 913 ND2 ASN A 57 7.048 -15.443 -0.180 1.00 0.00 N ATOM 0 H ASN A 57 2.421 -14.134 -0.149 1.00 0.00 H new ATOM 0 HA ASN A 57 4.527 -13.464 1.828 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.452 -15.412 0.137 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.554 -14.227 -1.150 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.062 -15.421 -0.074 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.584 -16.304 -0.469 1.00 0.00 H new ATOM 920 N PHE A 58 4.166 -10.964 1.109 1.00 0.00 N ATOM 921 CA PHE A 58 4.485 -9.552 0.728 1.00 0.00 C ATOM 922 C PHE A 58 5.999 -9.369 0.580 1.00 0.00 C ATOM 923 O PHE A 58 6.752 -10.325 0.592 1.00 0.00 O ATOM 924 CB PHE A 58 3.952 -8.693 1.878 1.00 0.00 C ATOM 925 CG PHE A 58 2.445 -8.621 1.800 1.00 0.00 C ATOM 926 CD1 PHE A 58 1.823 -8.188 0.621 1.00 0.00 C ATOM 927 CD2 PHE A 58 1.670 -8.984 2.907 1.00 0.00 C ATOM 928 CE1 PHE A 58 0.427 -8.121 0.552 1.00 0.00 C ATOM 929 CE2 PHE A 58 0.273 -8.917 2.837 1.00 0.00 C ATOM 930 CZ PHE A 58 -0.348 -8.484 1.660 1.00 0.00 C ATOM 0 H PHE A 58 3.666 -11.070 1.992 1.00 0.00 H new ATOM 0 HA PHE A 58 4.037 -9.276 -0.226 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.257 -9.118 2.834 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.377 -7.691 1.824 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.421 -7.906 -0.233 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.150 -9.316 3.816 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.053 -7.789 -0.357 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.325 -9.199 3.691 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.425 -8.430 1.606 1.00 0.00 H new ATOM 940 N GLU A 59 6.447 -8.145 0.459 1.00 0.00 N ATOM 941 CA GLU A 59 7.912 -7.887 0.333 1.00 0.00 C ATOM 942 C GLU A 59 8.461 -7.296 1.634 1.00 0.00 C ATOM 943 O GLU A 59 8.100 -6.204 2.030 1.00 0.00 O ATOM 944 CB GLU A 59 8.042 -6.881 -0.813 1.00 0.00 C ATOM 945 CG GLU A 59 7.494 -7.499 -2.103 1.00 0.00 C ATOM 946 CD GLU A 59 8.542 -8.432 -2.717 1.00 0.00 C ATOM 947 OE1 GLU A 59 9.309 -9.010 -1.966 1.00 0.00 O ATOM 948 OE2 GLU A 59 8.556 -8.553 -3.932 1.00 0.00 O ATOM 0 H GLU A 59 5.859 -7.312 0.442 1.00 0.00 H new ATOM 0 HA GLU A 59 8.476 -8.799 0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.495 -5.969 -0.574 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.087 -6.600 -0.947 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.580 -8.053 -1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.234 -6.713 -2.812 1.00 0.00 H new ATOM 955 N ASP A 60 9.360 -7.997 2.278 1.00 0.00 N ATOM 956 CA ASP A 60 9.975 -7.469 3.532 1.00 0.00 C ATOM 957 C ASP A 60 11.486 -7.716 3.524 1.00 0.00 C ATOM 958 O ASP A 60 11.965 -8.658 2.919 1.00 0.00 O ATOM 959 CB ASP A 60 9.309 -8.256 4.660 1.00 0.00 C ATOM 960 CG ASP A 60 9.810 -7.739 6.010 1.00 0.00 C ATOM 961 OD1 ASP A 60 10.838 -8.215 6.460 1.00 0.00 O ATOM 962 OD2 ASP A 60 9.155 -6.876 6.570 1.00 0.00 O ATOM 0 H ASP A 60 9.695 -8.916 1.987 1.00 0.00 H new ATOM 0 HA ASP A 60 9.830 -6.394 3.644 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.226 -8.153 4.599 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.534 -9.318 4.559 1.00 0.00 H new ATOM 967 N VAL A 61 12.232 -6.899 4.222 1.00 0.00 N ATOM 968 CA VAL A 61 13.711 -7.104 4.296 1.00 0.00 C ATOM 969 C VAL A 61 14.312 -6.230 5.405 1.00 0.00 C ATOM 970 O VAL A 61 13.710 -5.266 5.840 1.00 0.00 O ATOM 971 CB VAL A 61 14.240 -6.691 2.916 1.00 0.00 C ATOM 972 CG1 VAL A 61 13.892 -5.224 2.638 1.00 0.00 C ATOM 973 CG2 VAL A 61 15.760 -6.868 2.875 1.00 0.00 C ATOM 0 H VAL A 61 11.881 -6.097 4.745 1.00 0.00 H new ATOM 0 HA VAL A 61 13.978 -8.134 4.535 1.00 0.00 H new ATOM 0 HB VAL A 61 13.777 -7.320 2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.271 -4.940 1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 61 12.810 -5.096 2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 61 14.347 -4.591 3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 61 16.134 -6.574 1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 61 16.220 -6.243 3.641 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.010 -7.913 3.061 1.00 0.00 H new ATOM 983 N GLY A 62 15.509 -6.541 5.832 1.00 0.00 N ATOM 984 CA GLY A 62 16.177 -5.710 6.877 1.00 0.00 C ATOM 985 C GLY A 62 16.938 -4.563 6.210 1.00 0.00 C ATOM 986 O GLY A 62 16.568 -4.097 5.149 1.00 0.00 O ATOM 0 H GLY A 62 16.054 -7.337 5.501 1.00 0.00 H new ATOM 0 HA2 GLY A 62 15.435 -5.313 7.570 1.00 0.00 H new ATOM 0 HA3 GLY A 62 16.863 -6.324 7.461 1.00 0.00 H new ATOM 990 N HIS A 63 18.019 -4.133 6.808 1.00 0.00 N ATOM 991 CA HIS A 63 18.838 -3.044 6.195 1.00 0.00 C ATOM 992 C HIS A 63 20.328 -3.388 6.282 1.00 0.00 C ATOM 993 O HIS A 63 20.957 -3.710 5.291 1.00 0.00 O ATOM 994 CB HIS A 63 18.526 -1.798 7.025 1.00 0.00 C ATOM 995 CG HIS A 63 17.370 -1.060 6.407 1.00 0.00 C ATOM 996 ND1 HIS A 63 16.189 -1.695 6.058 1.00 0.00 N ATOM 997 CD2 HIS A 63 17.199 0.259 6.068 1.00 0.00 C ATOM 998 CE1 HIS A 63 15.367 -0.767 5.536 1.00 0.00 C ATOM 999 NE2 HIS A 63 15.934 0.442 5.519 1.00 0.00 N ATOM 0 H HIS A 63 18.371 -4.490 7.696 1.00 0.00 H new ATOM 0 HA HIS A 63 18.607 -2.899 5.140 1.00 0.00 H new ATOM 0 HB2 HIS A 63 18.284 -2.082 8.049 1.00 0.00 H new ATOM 0 HB3 HIS A 63 19.402 -1.150 7.072 1.00 0.00 H new ATOM 0 HD2 HIS A 63 17.935 1.037 6.207 1.00 0.00 H new ATOM 0 HE1 HIS A 63 14.370 -0.974 5.175 1.00 0.00 H new ATOM 0 HE2 HIS A 63 15.527 1.312 5.177 1.00 0.00 H new ATOM 1007 N SER A 64 20.882 -3.357 7.467 1.00 0.00 N ATOM 1008 CA SER A 64 22.321 -3.722 7.637 1.00 0.00 C ATOM 1009 C SER A 64 22.483 -4.709 8.795 1.00 0.00 C ATOM 1010 O SER A 64 23.045 -5.777 8.636 1.00 0.00 O ATOM 1011 CB SER A 64 23.028 -2.405 7.951 1.00 0.00 C ATOM 1012 OG SER A 64 24.313 -2.680 8.493 1.00 0.00 O ATOM 0 H SER A 64 20.399 -3.094 8.326 1.00 0.00 H new ATOM 0 HA SER A 64 22.733 -4.204 6.750 1.00 0.00 H new ATOM 0 HB2 SER A 64 23.123 -1.805 7.046 1.00 0.00 H new ATOM 0 HB3 SER A 64 22.439 -1.822 8.659 1.00 0.00 H new ATOM 0 HG SER A 64 24.770 -1.837 8.694 1.00 0.00 H new ATOM 1018 N THR A 65 21.963 -4.374 9.948 1.00 0.00 N ATOM 1019 CA THR A 65 22.045 -5.308 11.113 1.00 0.00 C ATOM 1020 C THR A 65 20.676 -5.446 11.792 1.00 0.00 C ATOM 1021 O THR A 65 20.268 -6.533 12.158 1.00 0.00 O ATOM 1022 CB THR A 65 23.068 -4.677 12.067 1.00 0.00 C ATOM 1023 OG1 THR A 65 23.197 -5.494 13.222 1.00 0.00 O ATOM 1024 CG2 THR A 65 22.610 -3.276 12.484 1.00 0.00 C ATOM 0 H THR A 65 21.484 -3.493 10.134 1.00 0.00 H new ATOM 0 HA THR A 65 22.343 -6.312 10.810 1.00 0.00 H new ATOM 0 HB THR A 65 24.029 -4.598 11.558 1.00 0.00 H new ATOM 0 HG1 THR A 65 23.851 -5.095 13.833 1.00 0.00 H new ATOM 0 HG21 THR A 65 23.345 -2.839 13.161 1.00 0.00 H new ATOM 0 HG22 THR A 65 22.513 -2.647 11.599 1.00 0.00 H new ATOM 0 HG23 THR A 65 21.646 -3.344 12.989 1.00 0.00 H new ATOM 1032 N ASP A 66 19.951 -4.363 11.927 1.00 0.00 N ATOM 1033 CA ASP A 66 18.589 -4.441 12.541 1.00 0.00 C ATOM 1034 C ASP A 66 17.675 -5.326 11.690 1.00 0.00 C ATOM 1035 O ASP A 66 17.388 -5.018 10.549 1.00 0.00 O ATOM 1036 CB ASP A 66 18.071 -3.001 12.562 1.00 0.00 C ATOM 1037 CG ASP A 66 17.062 -2.836 13.700 1.00 0.00 C ATOM 1038 OD1 ASP A 66 16.331 -3.779 13.957 1.00 0.00 O ATOM 1039 OD2 ASP A 66 17.038 -1.771 14.293 1.00 0.00 O ATOM 0 H ASP A 66 20.243 -3.429 11.639 1.00 0.00 H new ATOM 0 HA ASP A 66 18.615 -4.876 13.540 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.901 -2.307 12.695 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.602 -2.758 11.608 1.00 0.00 H new ATOM 1044 N ALA A 67 17.191 -6.405 12.252 1.00 0.00 N ATOM 1045 CA ALA A 67 16.257 -7.294 11.498 1.00 0.00 C ATOM 1046 C ALA A 67 14.829 -6.746 11.570 1.00 0.00 C ATOM 1047 O ALA A 67 13.914 -7.426 11.996 1.00 0.00 O ATOM 1048 CB ALA A 67 16.352 -8.651 12.200 1.00 0.00 C ATOM 0 H ALA A 67 17.403 -6.709 13.202 1.00 0.00 H new ATOM 0 HA ALA A 67 16.514 -7.364 10.441 1.00 0.00 H new ATOM 0 HB1 ALA A 67 15.693 -9.364 11.705 1.00 0.00 H new ATOM 0 HB2 ALA A 67 17.379 -9.014 12.154 1.00 0.00 H new ATOM 0 HB3 ALA A 67 16.052 -8.543 13.242 1.00 0.00 H new ATOM 1054 N ARG A 68 14.629 -5.534 11.118 1.00 0.00 N ATOM 1055 CA ARG A 68 13.254 -4.947 11.114 1.00 0.00 C ATOM 1056 C ARG A 68 12.470 -5.447 9.897 1.00 0.00 C ATOM 1057 O ARG A 68 13.011 -6.104 9.027 1.00 0.00 O ATOM 1058 CB ARG A 68 13.469 -3.436 11.029 1.00 0.00 C ATOM 1059 CG ARG A 68 13.671 -2.870 12.436 1.00 0.00 C ATOM 1060 CD ARG A 68 13.080 -1.460 12.510 1.00 0.00 C ATOM 1061 NE ARG A 68 12.804 -1.233 13.961 1.00 0.00 N ATOM 1062 CZ ARG A 68 11.823 -1.859 14.581 1.00 0.00 C ATOM 1063 NH1 ARG A 68 11.017 -2.677 13.944 1.00 0.00 N ATOM 1064 NH2 ARG A 68 11.648 -1.661 15.860 1.00 0.00 N ATOM 0 H ARG A 68 15.360 -4.924 10.751 1.00 0.00 H new ATOM 0 HA ARG A 68 12.682 -5.228 11.998 1.00 0.00 H new ATOM 0 HB2 ARG A 68 14.338 -3.216 10.409 1.00 0.00 H new ATOM 0 HB3 ARG A 68 12.610 -2.962 10.554 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.191 -3.516 13.171 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.733 -2.844 12.680 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.777 -0.719 12.120 1.00 0.00 H new ATOM 0 HD3 ARG A 68 12.168 -1.382 11.918 1.00 0.00 H new ATOM 0 HE ARG A 68 13.387 -0.579 14.483 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.142 -2.841 12.945 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.266 -3.148 14.448 1.00 0.00 H new ATOM 0 HH21 ARG A 68 12.266 -1.028 16.367 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.893 -2.139 16.351 1.00 0.00 H new ATOM 1078 N GLU A 69 11.209 -5.108 9.814 1.00 0.00 N ATOM 1079 CA GLU A 69 10.391 -5.523 8.636 1.00 0.00 C ATOM 1080 C GLU A 69 10.000 -4.297 7.805 1.00 0.00 C ATOM 1081 O GLU A 69 9.663 -3.257 8.340 1.00 0.00 O ATOM 1082 CB GLU A 69 9.148 -6.186 9.230 1.00 0.00 C ATOM 1083 CG GLU A 69 9.451 -7.654 9.537 1.00 0.00 C ATOM 1084 CD GLU A 69 9.985 -7.780 10.964 1.00 0.00 C ATOM 1085 OE1 GLU A 69 9.376 -7.210 11.855 1.00 0.00 O ATOM 1086 OE2 GLU A 69 10.992 -8.443 11.143 1.00 0.00 O ATOM 0 H GLU A 69 10.709 -4.560 10.514 1.00 0.00 H new ATOM 0 HA GLU A 69 10.934 -6.196 7.973 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.846 -5.668 10.140 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.315 -6.114 8.531 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.548 -8.254 9.421 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.184 -8.041 8.828 1.00 0.00 H new ATOM 1093 N LEU A 70 10.010 -4.426 6.503 1.00 0.00 N ATOM 1094 CA LEU A 70 9.601 -3.285 5.628 1.00 0.00 C ATOM 1095 C LEU A 70 8.075 -3.214 5.529 1.00 0.00 C ATOM 1096 O LEU A 70 7.474 -2.200 5.827 1.00 0.00 O ATOM 1097 CB LEU A 70 10.218 -3.595 4.257 1.00 0.00 C ATOM 1098 CG LEU A 70 10.806 -2.321 3.632 1.00 0.00 C ATOM 1099 CD1 LEU A 70 9.706 -1.267 3.458 1.00 0.00 C ATOM 1100 CD2 LEU A 70 11.913 -1.763 4.532 1.00 0.00 C ATOM 0 H LEU A 70 10.284 -5.274 6.007 1.00 0.00 H new ATOM 0 HA LEU A 70 9.937 -2.324 6.018 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.999 -4.348 4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.459 -4.015 3.596 1.00 0.00 H new ATOM 0 HG LEU A 70 11.224 -2.567 2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.131 -0.367 3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.926 -1.659 2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.277 -1.024 4.430 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.326 -0.860 4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.500 -1.525 5.512 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.702 -2.507 4.642 1.00 0.00 H new ATOM 1112 N SER A 71 7.445 -4.298 5.151 1.00 0.00 N ATOM 1113 CA SER A 71 5.953 -4.315 5.077 1.00 0.00 C ATOM 1114 C SER A 71 5.358 -4.623 6.454 1.00 0.00 C ATOM 1115 O SER A 71 4.577 -5.545 6.610 1.00 0.00 O ATOM 1116 CB SER A 71 5.620 -5.429 4.083 1.00 0.00 C ATOM 1117 OG SER A 71 6.450 -6.554 4.343 1.00 0.00 O ATOM 0 H SER A 71 7.901 -5.173 4.890 1.00 0.00 H new ATOM 0 HA SER A 71 5.543 -3.355 4.764 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.570 -5.709 4.171 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.772 -5.079 3.062 1.00 0.00 H new ATOM 0 HG SER A 71 7.173 -6.587 3.682 1.00 0.00 H new ATOM 1123 N LYS A 72 5.692 -3.835 7.444 1.00 0.00 N ATOM 1124 CA LYS A 72 5.117 -4.048 8.805 1.00 0.00 C ATOM 1125 C LYS A 72 4.922 -2.706 9.517 1.00 0.00 C ATOM 1126 O LYS A 72 3.806 -2.279 9.751 1.00 0.00 O ATOM 1127 CB LYS A 72 6.150 -4.901 9.543 1.00 0.00 C ATOM 1128 CG LYS A 72 5.852 -6.383 9.305 1.00 0.00 C ATOM 1129 CD LYS A 72 6.228 -7.186 10.552 1.00 0.00 C ATOM 1130 CE LYS A 72 5.790 -8.642 10.373 1.00 0.00 C ATOM 1131 NZ LYS A 72 4.460 -8.728 11.036 1.00 0.00 N ATOM 0 H LYS A 72 6.340 -3.051 7.367 1.00 0.00 H new ATOM 0 HA LYS A 72 4.140 -4.531 8.768 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.154 -4.660 9.192 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.124 -4.681 10.610 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.795 -6.520 9.076 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.414 -6.744 8.444 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.304 -7.137 10.719 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.749 -6.757 11.432 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.723 -8.907 9.318 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.504 -9.328 10.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.094 -9.698 10.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.556 -8.477 12.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.800 -8.069 10.576 1.00 0.00 H new ATOM 1145 N THR A 73 5.996 -2.022 9.825 1.00 0.00 N ATOM 1146 CA THR A 73 5.873 -0.685 10.481 1.00 0.00 C ATOM 1147 C THR A 73 5.900 0.439 9.433 1.00 0.00 C ATOM 1148 O THR A 73 6.137 1.589 9.755 1.00 0.00 O ATOM 1149 CB THR A 73 7.074 -0.588 11.436 1.00 0.00 C ATOM 1150 OG1 THR A 73 6.960 0.593 12.216 1.00 0.00 O ATOM 1151 CG2 THR A 73 8.391 -0.552 10.650 1.00 0.00 C ATOM 0 H THR A 73 6.952 -2.332 9.650 1.00 0.00 H new ATOM 0 HA THR A 73 4.929 -0.578 11.016 1.00 0.00 H new ATOM 0 HB THR A 73 7.077 -1.465 12.083 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.754 1.352 11.632 1.00 0.00 H new ATOM 0 HG21 THR A 73 9.228 -0.483 11.345 1.00 0.00 H new ATOM 0 HG22 THR A 73 8.486 -1.462 10.057 1.00 0.00 H new ATOM 0 HG23 THR A 73 8.397 0.315 9.989 1.00 0.00 H new ATOM 1159 N TYR A 74 5.602 0.124 8.196 1.00 0.00 N ATOM 1160 CA TYR A 74 5.544 1.177 7.141 1.00 0.00 C ATOM 1161 C TYR A 74 4.115 1.294 6.603 1.00 0.00 C ATOM 1162 O TYR A 74 3.906 1.632 5.453 1.00 0.00 O ATOM 1163 CB TYR A 74 6.482 0.687 6.035 1.00 0.00 C ATOM 1164 CG TYR A 74 7.918 0.745 6.504 1.00 0.00 C ATOM 1165 CD1 TYR A 74 8.389 -0.180 7.444 1.00 0.00 C ATOM 1166 CD2 TYR A 74 8.782 1.720 5.990 1.00 0.00 C ATOM 1167 CE1 TYR A 74 9.722 -0.129 7.868 1.00 0.00 C ATOM 1168 CE2 TYR A 74 10.114 1.771 6.417 1.00 0.00 C ATOM 1169 CZ TYR A 74 10.584 0.846 7.355 1.00 0.00 C ATOM 1170 OH TYR A 74 11.898 0.897 7.775 1.00 0.00 O ATOM 0 H TYR A 74 5.396 -0.821 7.873 1.00 0.00 H new ATOM 0 HA TYR A 74 5.835 2.157 7.519 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.224 -0.335 5.756 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.358 1.302 5.144 1.00 0.00 H new ATOM 0 HD1 TYR A 74 7.724 -0.932 7.842 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.420 2.433 5.264 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.085 -0.843 8.592 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.779 2.525 6.022 1.00 0.00 H new ATOM 0 HH TYR A 74 12.359 1.633 7.320 1.00 0.00 H new ATOM 1180 N ILE A 75 3.134 0.989 7.417 1.00 0.00 N ATOM 1181 CA ILE A 75 1.718 1.050 6.939 1.00 0.00 C ATOM 1182 C ILE A 75 0.946 2.155 7.666 1.00 0.00 C ATOM 1183 O ILE A 75 1.306 2.571 8.751 1.00 0.00 O ATOM 1184 CB ILE A 75 1.116 -0.324 7.258 1.00 0.00 C ATOM 1185 CG1 ILE A 75 1.943 -1.426 6.588 1.00 0.00 C ATOM 1186 CG2 ILE A 75 -0.317 -0.384 6.725 1.00 0.00 C ATOM 1187 CD1 ILE A 75 1.538 -2.787 7.157 1.00 0.00 C ATOM 0 H ILE A 75 3.252 0.701 8.388 1.00 0.00 H new ATOM 0 HA ILE A 75 1.665 1.279 5.875 1.00 0.00 H new ATOM 0 HB ILE A 75 1.121 -0.473 8.338 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.785 -1.409 5.510 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.006 -1.251 6.757 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.748 -1.359 6.950 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.914 0.395 7.199 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.311 -0.230 5.646 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.127 -3.571 6.680 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.719 -2.801 8.232 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.479 -2.961 6.965 1.00 0.00 H new ATOM 1199 N ILE A 76 -0.124 2.619 7.073 1.00 0.00 N ATOM 1200 CA ILE A 76 -0.949 3.692 7.714 1.00 0.00 C ATOM 1201 C ILE A 76 -2.400 3.229 7.913 1.00 0.00 C ATOM 1202 O ILE A 76 -3.090 3.708 8.794 1.00 0.00 O ATOM 1203 CB ILE A 76 -0.903 4.885 6.747 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -1.272 4.434 5.324 1.00 0.00 C ATOM 1205 CG2 ILE A 76 0.506 5.476 6.742 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -2.003 5.562 4.596 1.00 0.00 C ATOM 0 H ILE A 76 -0.465 2.300 6.166 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.562 3.949 8.700 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.621 5.636 7.076 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.372 4.158 4.775 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.904 3.547 5.366 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.543 6.323 6.057 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.764 5.811 7.747 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.218 4.717 6.419 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.262 5.237 3.588 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.912 5.817 5.140 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.356 6.438 4.540 1.00 0.00 H new ATOM 1218 N GLY A 77 -2.866 2.308 7.107 1.00 0.00 N ATOM 1219 CA GLY A 77 -4.269 1.818 7.254 1.00 0.00 C ATOM 1220 C GLY A 77 -4.574 0.807 6.149 1.00 0.00 C ATOM 1221 O GLY A 77 -3.698 0.095 5.694 1.00 0.00 O ATOM 0 H GLY A 77 -2.334 1.874 6.353 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.403 1.356 8.232 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.965 2.655 7.199 1.00 0.00 H new ATOM 1225 N GLU A 78 -5.802 0.758 5.694 1.00 0.00 N ATOM 1226 CA GLU A 78 -6.154 -0.186 4.591 1.00 0.00 C ATOM 1227 C GLU A 78 -6.970 0.526 3.507 1.00 0.00 C ATOM 1228 O GLU A 78 -7.099 1.736 3.504 1.00 0.00 O ATOM 1229 CB GLU A 78 -6.995 -1.282 5.254 1.00 0.00 C ATOM 1230 CG GLU A 78 -6.143 -2.539 5.458 1.00 0.00 C ATOM 1231 CD GLU A 78 -6.987 -3.632 6.119 1.00 0.00 C ATOM 1232 OE1 GLU A 78 -7.867 -3.291 6.893 1.00 0.00 O ATOM 1233 OE2 GLU A 78 -6.739 -4.793 5.840 1.00 0.00 O ATOM 0 H GLU A 78 -6.573 1.330 6.038 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.265 -0.587 4.104 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.376 -0.931 6.213 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.860 -1.515 4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.761 -2.891 4.500 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.279 -2.307 6.080 1.00 0.00 H new ATOM 1240 N LEU A 79 -7.567 -0.232 2.623 1.00 0.00 N ATOM 1241 CA LEU A 79 -8.435 0.367 1.565 1.00 0.00 C ATOM 1242 C LEU A 79 -9.910 0.159 1.923 1.00 0.00 C ATOM 1243 O LEU A 79 -10.344 -0.952 2.166 1.00 0.00 O ATOM 1244 CB LEU A 79 -8.089 -0.416 0.287 1.00 0.00 C ATOM 1245 CG LEU A 79 -8.420 0.394 -0.983 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -9.858 0.928 -0.941 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -7.451 1.566 -1.117 1.00 0.00 C ATOM 0 H LEU A 79 -7.489 -1.248 2.589 1.00 0.00 H new ATOM 0 HA LEU A 79 -8.274 1.439 1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.029 -0.670 0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.642 -1.355 0.274 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.321 -0.270 -1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.062 1.495 -1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.554 0.093 -0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.980 1.577 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.690 2.134 -2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.540 2.213 -0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.431 1.188 -1.187 1.00 0.00 H new ATOM 1259 N HIS A 80 -10.705 1.197 1.834 1.00 0.00 N ATOM 1260 CA HIS A 80 -12.180 1.032 2.031 1.00 0.00 C ATOM 1261 C HIS A 80 -12.736 0.067 0.965 1.00 0.00 C ATOM 1262 O HIS A 80 -12.708 0.379 -0.208 1.00 0.00 O ATOM 1263 CB HIS A 80 -12.772 2.431 1.844 1.00 0.00 C ATOM 1264 CG HIS A 80 -14.015 2.566 2.677 1.00 0.00 C ATOM 1265 ND1 HIS A 80 -15.077 1.680 2.569 1.00 0.00 N ATOM 1266 CD2 HIS A 80 -14.383 3.475 3.637 1.00 0.00 C ATOM 1267 CE1 HIS A 80 -16.024 2.073 3.442 1.00 0.00 C ATOM 1268 NE2 HIS A 80 -15.651 3.163 4.118 1.00 0.00 N ATOM 0 H HIS A 80 -10.398 2.149 1.634 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.426 0.620 3.010 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -12.043 3.187 2.135 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -13.006 2.601 0.793 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -13.780 4.307 3.969 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -16.969 1.569 3.579 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -16.182 3.660 4.833 1.00 0.00 H new ATOM 1276 N PRO A 81 -13.222 -1.087 1.392 1.00 0.00 N ATOM 1277 CA PRO A 81 -13.768 -2.087 0.427 1.00 0.00 C ATOM 1278 C PRO A 81 -14.769 -1.448 -0.547 1.00 0.00 C ATOM 1279 O PRO A 81 -14.961 -1.926 -1.650 1.00 0.00 O ATOM 1280 CB PRO A 81 -14.467 -3.107 1.322 1.00 0.00 C ATOM 1281 CG PRO A 81 -13.785 -2.995 2.646 1.00 0.00 C ATOM 1282 CD PRO A 81 -13.310 -1.572 2.781 1.00 0.00 C ATOM 0 HA PRO A 81 -12.990 -2.524 -0.199 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.532 -2.892 1.408 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -14.377 -4.115 0.916 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.470 -3.251 3.455 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -12.946 -3.688 2.707 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -14.006 -0.974 3.368 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.344 -1.521 3.283 1.00 0.00 H new ATOM 1290 N ASP A 82 -15.387 -0.364 -0.156 1.00 0.00 N ATOM 1291 CA ASP A 82 -16.357 0.322 -1.067 1.00 0.00 C ATOM 1292 C ASP A 82 -15.672 0.748 -2.370 1.00 0.00 C ATOM 1293 O ASP A 82 -16.317 0.917 -3.388 1.00 0.00 O ATOM 1294 CB ASP A 82 -16.838 1.551 -0.291 1.00 0.00 C ATOM 1295 CG ASP A 82 -17.937 2.259 -1.086 1.00 0.00 C ATOM 1296 OD1 ASP A 82 -19.031 1.724 -1.152 1.00 0.00 O ATOM 1297 OD2 ASP A 82 -17.665 3.324 -1.616 1.00 0.00 O ATOM 0 H ASP A 82 -15.263 0.078 0.755 1.00 0.00 H new ATOM 0 HA ASP A 82 -17.181 -0.335 -1.347 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -17.217 1.252 0.686 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -16.005 2.232 -0.115 1.00 0.00 H new ATOM 1302 N ASP A 83 -14.377 0.954 -2.342 1.00 0.00 N ATOM 1303 CA ASP A 83 -13.662 1.404 -3.580 1.00 0.00 C ATOM 1304 C ASP A 83 -12.367 0.609 -3.823 1.00 0.00 C ATOM 1305 O ASP A 83 -11.725 0.775 -4.843 1.00 0.00 O ATOM 1306 CB ASP A 83 -13.333 2.871 -3.321 1.00 0.00 C ATOM 1307 CG ASP A 83 -14.628 3.667 -3.142 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -15.444 3.644 -4.050 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -14.783 4.284 -2.102 1.00 0.00 O ATOM 0 H ASP A 83 -13.786 0.831 -1.520 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.276 1.251 -4.467 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.713 2.962 -2.430 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.757 3.277 -4.153 1.00 0.00 H new ATOM 1314 N ARG A 84 -11.981 -0.261 -2.915 1.00 0.00 N ATOM 1315 CA ARG A 84 -10.730 -1.074 -3.120 1.00 0.00 C ATOM 1316 C ARG A 84 -10.739 -1.753 -4.498 1.00 0.00 C ATOM 1317 O ARG A 84 -9.794 -1.644 -5.256 1.00 0.00 O ATOM 1318 CB ARG A 84 -10.755 -2.132 -2.015 1.00 0.00 C ATOM 1319 CG ARG A 84 -9.404 -2.848 -1.962 1.00 0.00 C ATOM 1320 CD ARG A 84 -9.525 -4.108 -1.100 1.00 0.00 C ATOM 1321 NE ARG A 84 -10.341 -5.060 -1.916 1.00 0.00 N ATOM 1322 CZ ARG A 84 -10.979 -6.071 -1.359 1.00 0.00 C ATOM 1323 NH1 ARG A 84 -10.892 -6.314 -0.071 1.00 0.00 N ATOM 1324 NH2 ARG A 84 -11.714 -6.850 -2.105 1.00 0.00 N ATOM 0 H ARG A 84 -12.476 -0.444 -2.042 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.836 -0.452 -3.079 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.968 -1.664 -1.054 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -11.552 -2.851 -2.203 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.082 -3.113 -2.969 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.645 -2.184 -1.549 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.544 -4.525 -0.871 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -10.009 -3.890 -0.148 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.405 -4.924 -2.925 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.321 -5.714 0.524 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.396 -7.103 0.334 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.790 -6.674 -3.107 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.212 -7.635 -1.686 1.00 0.00 H new ATOM 1338 N SER A 85 -11.822 -2.404 -4.842 1.00 0.00 N ATOM 1339 CA SER A 85 -11.923 -3.037 -6.190 1.00 0.00 C ATOM 1340 C SER A 85 -12.526 -2.045 -7.193 1.00 0.00 C ATOM 1341 O SER A 85 -11.814 -1.415 -7.952 1.00 0.00 O ATOM 1342 CB SER A 85 -12.838 -4.245 -5.995 1.00 0.00 C ATOM 1343 OG SER A 85 -12.167 -5.220 -5.210 1.00 0.00 O ATOM 0 H SER A 85 -12.641 -2.524 -4.246 1.00 0.00 H new ATOM 0 HA SER A 85 -10.951 -3.331 -6.586 1.00 0.00 H new ATOM 0 HB2 SER A 85 -13.763 -3.940 -5.505 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.114 -4.667 -6.962 1.00 0.00 H new ATOM 0 HG SER A 85 -12.752 -5.996 -5.082 1.00 0.00 H new ATOM 1349 N LYS A 86 -13.826 -1.859 -7.164 1.00 0.00 N ATOM 1350 CA LYS A 86 -14.464 -0.854 -8.072 1.00 0.00 C ATOM 1351 C LYS A 86 -15.940 -0.634 -7.699 1.00 0.00 C ATOM 1352 O LYS A 86 -16.758 -0.328 -8.546 1.00 0.00 O ATOM 1353 CB LYS A 86 -14.314 -1.428 -9.499 1.00 0.00 C ATOM 1354 CG LYS A 86 -15.248 -2.632 -9.732 1.00 0.00 C ATOM 1355 CD LYS A 86 -14.741 -3.856 -8.960 1.00 0.00 C ATOM 1356 CE LYS A 86 -15.634 -4.101 -7.740 1.00 0.00 C ATOM 1357 NZ LYS A 86 -16.776 -4.906 -8.254 1.00 0.00 N ATOM 0 H LYS A 86 -14.470 -2.359 -6.552 1.00 0.00 H new ATOM 0 HA LYS A 86 -13.990 0.124 -7.991 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -14.535 -0.650 -10.229 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -13.280 -1.733 -9.661 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -16.259 -2.384 -9.410 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -15.299 -2.861 -10.797 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.744 -4.733 -9.607 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.710 -3.697 -8.643 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.095 -4.635 -6.957 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.977 -3.161 -7.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -17.433 -5.114 -7.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -17.274 -4.370 -8.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.420 -5.798 -8.654 1.00 0.00 H new ATOM 1371 N ILE A 87 -16.274 -0.746 -6.436 1.00 0.00 N ATOM 1372 CA ILE A 87 -17.683 -0.497 -6.002 1.00 0.00 C ATOM 1373 C ILE A 87 -17.875 0.983 -5.652 1.00 0.00 C ATOM 1374 O ILE A 87 -18.440 1.318 -4.629 1.00 0.00 O ATOM 1375 CB ILE A 87 -17.885 -1.373 -4.760 1.00 0.00 C ATOM 1376 CG1 ILE A 87 -17.590 -2.844 -5.101 1.00 0.00 C ATOM 1377 CG2 ILE A 87 -19.333 -1.244 -4.277 1.00 0.00 C ATOM 1378 CD1 ILE A 87 -16.224 -3.245 -4.540 1.00 0.00 C ATOM 0 H ILE A 87 -15.630 -0.999 -5.687 1.00 0.00 H new ATOM 0 HA ILE A 87 -18.401 -0.736 -6.786 1.00 0.00 H new ATOM 0 HB ILE A 87 -17.204 -1.044 -3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -18.366 -3.486 -4.684 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -17.605 -2.986 -6.182 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -19.479 -1.866 -3.394 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -19.542 -0.204 -4.027 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -20.010 -1.570 -5.066 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -16.022 -4.288 -4.785 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -15.451 -2.613 -4.977 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -16.225 -3.120 -3.457 1.00 0.00 H new ATOM 1390 N ALA A 88 -17.450 1.867 -6.520 1.00 0.00 N ATOM 1391 CA ALA A 88 -17.651 3.328 -6.270 1.00 0.00 C ATOM 1392 C ALA A 88 -18.979 3.798 -6.875 1.00 0.00 C ATOM 1393 O ALA A 88 -19.053 4.849 -7.481 1.00 0.00 O ATOM 1394 CB ALA A 88 -16.474 4.012 -6.967 1.00 0.00 C ATOM 0 H ALA A 88 -16.972 1.640 -7.392 1.00 0.00 H new ATOM 0 HA ALA A 88 -17.691 3.561 -5.206 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -16.547 5.091 -6.830 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -15.539 3.655 -6.537 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -16.496 3.779 -8.032 1.00 0.00 H new ATOM 1400 N LYS A 89 -20.038 3.048 -6.677 1.00 0.00 N ATOM 1401 CA LYS A 89 -21.385 3.465 -7.194 1.00 0.00 C ATOM 1402 C LYS A 89 -21.311 3.815 -8.695 1.00 0.00 C ATOM 1403 O LYS A 89 -21.563 4.941 -9.077 1.00 0.00 O ATOM 1404 CB LYS A 89 -21.769 4.696 -6.367 1.00 0.00 C ATOM 1405 CG LYS A 89 -21.861 4.308 -4.889 1.00 0.00 C ATOM 1406 CD LYS A 89 -22.643 5.380 -4.127 1.00 0.00 C ATOM 1407 CE LYS A 89 -23.419 4.727 -2.981 1.00 0.00 C ATOM 1408 NZ LYS A 89 -24.702 4.279 -3.591 1.00 0.00 N ATOM 0 H LYS A 89 -20.028 2.159 -6.177 1.00 0.00 H new ATOM 0 HA LYS A 89 -22.121 2.667 -7.100 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -21.028 5.484 -6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -22.724 5.094 -6.710 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -22.354 3.341 -4.786 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -20.862 4.203 -4.467 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -21.960 6.134 -3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -23.330 5.892 -4.801 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -22.868 3.887 -2.559 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -23.593 5.433 -2.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -25.290 3.820 -2.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -25.208 5.101 -3.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -24.505 3.602 -4.356 1.00 0.00 H new ATOM 1422 N PRO A 90 -20.965 2.833 -9.509 1.00 0.00 N ATOM 1423 CA PRO A 90 -20.864 3.062 -10.978 1.00 0.00 C ATOM 1424 C PRO A 90 -22.154 3.685 -11.529 1.00 0.00 C ATOM 1425 O PRO A 90 -22.138 4.404 -12.509 1.00 0.00 O ATOM 1426 CB PRO A 90 -20.663 1.660 -11.549 1.00 0.00 C ATOM 1427 CG PRO A 90 -20.072 0.870 -10.426 1.00 0.00 C ATOM 1428 CD PRO A 90 -20.636 1.442 -9.153 1.00 0.00 C ATOM 0 HA PRO A 90 -20.061 3.751 -11.240 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -21.608 1.229 -11.881 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -19.999 1.677 -12.413 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -20.324 -0.186 -10.521 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -18.984 0.940 -10.434 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -21.519 0.894 -8.825 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -19.912 1.398 -8.339 1.00 0.00 H new ATOM 1436 N SER A 91 -23.268 3.442 -10.878 1.00 0.00 N ATOM 1437 CA SER A 91 -24.569 4.045 -11.322 1.00 0.00 C ATOM 1438 C SER A 91 -24.825 3.752 -12.806 1.00 0.00 C ATOM 1439 O SER A 91 -24.611 4.594 -13.659 1.00 0.00 O ATOM 1440 CB SER A 91 -24.421 5.551 -11.091 1.00 0.00 C ATOM 1441 OG SER A 91 -25.633 6.202 -11.444 1.00 0.00 O ATOM 0 H SER A 91 -23.333 2.847 -10.052 1.00 0.00 H new ATOM 0 HA SER A 91 -25.413 3.631 -10.770 1.00 0.00 H new ATOM 0 HB2 SER A 91 -24.180 5.748 -10.046 1.00 0.00 H new ATOM 0 HB3 SER A 91 -23.597 5.943 -11.688 1.00 0.00 H new ATOM 0 HG SER A 91 -25.542 7.166 -11.296 1.00 0.00 H new ATOM 1447 N GLU A 92 -25.319 2.579 -13.111 1.00 0.00 N ATOM 1448 CA GLU A 92 -25.637 2.237 -14.530 1.00 0.00 C ATOM 1449 C GLU A 92 -27.036 2.740 -14.894 1.00 0.00 C ATOM 1450 O GLU A 92 -27.634 3.514 -14.171 1.00 0.00 O ATOM 1451 CB GLU A 92 -25.580 0.711 -14.592 1.00 0.00 C ATOM 1452 CG GLU A 92 -24.165 0.236 -14.257 1.00 0.00 C ATOM 1453 CD GLU A 92 -24.224 -1.178 -13.678 1.00 0.00 C ATOM 1454 OE1 GLU A 92 -24.244 -2.115 -14.459 1.00 0.00 O ATOM 1455 OE2 GLU A 92 -24.248 -1.301 -12.465 1.00 0.00 O ATOM 0 H GLU A 92 -25.516 1.841 -12.435 1.00 0.00 H new ATOM 0 HA GLU A 92 -24.943 2.698 -15.232 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -26.294 0.282 -13.890 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -25.864 0.367 -15.586 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -23.545 0.248 -15.153 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -23.703 0.915 -13.540 1.00 0.00 H new ATOM 1462 N THR A 93 -27.575 2.273 -15.993 1.00 0.00 N ATOM 1463 CA THR A 93 -28.955 2.684 -16.390 1.00 0.00 C ATOM 1464 C THR A 93 -29.992 1.829 -15.657 1.00 0.00 C ATOM 1465 O THR A 93 -30.777 2.330 -14.874 1.00 0.00 O ATOM 1466 CB THR A 93 -29.023 2.435 -17.897 1.00 0.00 C ATOM 1467 OG1 THR A 93 -27.832 2.912 -18.509 1.00 0.00 O ATOM 1468 CG2 THR A 93 -30.230 3.169 -18.483 1.00 0.00 C ATOM 0 H THR A 93 -27.117 1.624 -16.633 1.00 0.00 H new ATOM 0 HA THR A 93 -29.166 3.723 -16.139 1.00 0.00 H new ATOM 0 HB THR A 93 -29.125 1.366 -18.085 1.00 0.00 H new ATOM 0 HG1 THR A 93 -27.874 2.751 -19.475 1.00 0.00 H new ATOM 0 HG21 THR A 93 -30.278 2.991 -19.557 1.00 0.00 H new ATOM 0 HG22 THR A 93 -31.142 2.802 -18.013 1.00 0.00 H new ATOM 0 HG23 THR A 93 -30.131 4.238 -18.296 1.00 0.00 H new ATOM 1476 N LEU A 94 -29.973 0.539 -15.878 1.00 0.00 N ATOM 1477 CA LEU A 94 -30.927 -0.363 -15.166 1.00 0.00 C ATOM 1478 C LEU A 94 -30.274 -0.933 -13.904 1.00 0.00 C ATOM 1479 O LEU A 94 -29.169 -1.440 -14.011 1.00 0.00 O ATOM 1480 CB LEU A 94 -31.235 -1.481 -16.164 1.00 0.00 C ATOM 1481 CG LEU A 94 -32.353 -1.032 -17.104 1.00 0.00 C ATOM 1482 CD1 LEU A 94 -32.444 -1.997 -18.288 1.00 0.00 C ATOM 1483 CD2 LEU A 94 -33.684 -1.028 -16.349 1.00 0.00 C ATOM 1484 OXT LEU A 94 -30.889 -0.854 -12.855 1.00 0.00 O ATOM 0 H LEU A 94 -29.336 0.071 -16.523 1.00 0.00 H new ATOM 0 HA LEU A 94 -31.830 0.158 -14.848 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -30.341 -1.728 -16.737 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -31.533 -2.385 -15.633 1.00 0.00 H new ATOM 0 HG LEU A 94 -32.138 -0.028 -17.469 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -33.242 -1.676 -18.958 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -31.497 -2.002 -18.827 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -32.659 -3.001 -17.923 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -34.482 -0.708 -17.019 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -33.898 -2.032 -15.984 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -33.622 -0.341 -15.505 1.00 0.00 H new TER 1496 LEU A 94