USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 485 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 17 HIS : no HD1:sc= -0.229 X(o=-2.3,f=-2.1) USER MOD Set 1.2: A 30 HIS : no HD1:sc= -2.08 X(o=-2.3,f=-2.2) USER MOD Set 2.1: A 8 ASN : amide:sc= -0.869 X(o=-1.1,f=-0.82) USER MOD Set 2.2: A 66 HIS : no HD1:sc= -0.183 X(o=-1.1,f=-0.68) USER MOD Set 3.1: A 5 THR OG1 : rot -154:sc= -3.92! USER MOD Set 3.2: A 14 THR OG1 : rot 180:sc= -0.472 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -2.6 K(o=-2.6,f=-8.4!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -4.87! C(o=-4.9!,f=-4.6!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 180:sc= -1.36! USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.236 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -4.42! C(o=-4.4!,f=-4.8!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 57 ASN :FLIP amide:sc= -1.39! C(o=-1.9!,f=-1.4!) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0188 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 CYS SG : rot 180:sc= -1.34 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 2 6.557 -5.302 9.592 1.00 10.00 N ATOM 12 CA ASP A 2 7.839 -5.126 8.930 1.00 10.00 C ATOM 13 C ASP A 2 7.626 -5.103 7.415 1.00 10.00 C ATOM 14 O ASP A 2 8.086 -4.188 6.735 1.00 10.00 O ATOM 15 CB ASP A 2 8.790 -6.278 9.256 1.00 10.00 C ATOM 16 CG ASP A 2 10.000 -6.402 8.326 1.00 10.00 C ATOM 17 OD1 ASP A 2 10.336 -5.378 7.695 1.00 10.00 O ATOM 18 OD2 ASP A 2 10.560 -7.518 8.269 1.00 10.00 O ATOM 0 HA ASP A 2 8.274 -4.190 9.280 1.00 10.00 H new ATOM 0 HB2 ASP A 2 9.148 -6.156 10.278 1.00 10.00 H new ATOM 0 HB3 ASP A 2 8.229 -7.212 9.224 1.00 10.00 H new ATOM 23 N VAL A 3 6.928 -6.120 6.932 1.00 10.00 N ATOM 24 CA VAL A 3 6.650 -6.228 5.510 1.00 10.00 C ATOM 25 C VAL A 3 5.540 -7.258 5.290 1.00 10.00 C ATOM 26 O VAL A 3 5.440 -8.237 6.027 1.00 10.00 O ATOM 27 CB VAL A 3 7.934 -6.561 4.749 1.00 10.00 C ATOM 28 CG1 VAL A 3 8.467 -7.938 5.148 1.00 10.00 C ATOM 29 CG2 VAL A 3 7.712 -6.476 3.237 1.00 10.00 C ATOM 0 H VAL A 3 6.547 -6.877 7.500 1.00 10.00 H new ATOM 0 HA VAL A 3 6.294 -5.276 5.117 1.00 10.00 H new ATOM 0 HB VAL A 3 8.686 -5.820 5.020 1.00 10.00 H new ATOM 0 HG11 VAL A 3 9.380 -8.150 4.592 1.00 10.00 H new ATOM 0 HG12 VAL A 3 8.682 -7.949 6.217 1.00 10.00 H new ATOM 0 HG13 VAL A 3 7.719 -8.698 4.920 1.00 10.00 H new ATOM 0 HG21 VAL A 3 8.640 -6.717 2.719 1.00 10.00 H new ATOM 0 HG22 VAL A 3 6.937 -7.184 2.943 1.00 10.00 H new ATOM 0 HG23 VAL A 3 7.400 -5.466 2.971 1.00 10.00 H new ATOM 39 N VAL A 4 4.731 -7.001 4.271 1.00 10.00 N ATOM 40 CA VAL A 4 3.632 -7.893 3.944 1.00 10.00 C ATOM 41 C VAL A 4 3.570 -8.084 2.428 1.00 10.00 C ATOM 42 O VAL A 4 2.596 -7.687 1.788 1.00 10.00 O ATOM 43 CB VAL A 4 2.327 -7.354 4.533 1.00 10.00 C ATOM 44 CG1 VAL A 4 1.121 -8.124 3.992 1.00 10.00 C ATOM 45 CG2 VAL A 4 2.359 -7.391 6.063 1.00 10.00 C ATOM 0 H VAL A 4 4.816 -6.187 3.662 1.00 10.00 H new ATOM 0 HA VAL A 4 3.792 -8.875 4.389 1.00 10.00 H new ATOM 0 HB VAL A 4 2.226 -6.313 4.225 1.00 10.00 H new ATOM 0 HG11 VAL A 4 0.207 -7.720 4.427 1.00 10.00 H new ATOM 0 HG12 VAL A 4 1.082 -8.024 2.907 1.00 10.00 H new ATOM 0 HG13 VAL A 4 1.214 -9.178 4.256 1.00 10.00 H new ATOM 0 HG21 VAL A 4 1.420 -7.002 6.456 1.00 10.00 H new ATOM 0 HG22 VAL A 4 2.496 -8.419 6.399 1.00 10.00 H new ATOM 0 HG23 VAL A 4 3.185 -6.778 6.425 1.00 10.00 H new ATOM 55 N THR A 5 4.621 -8.691 1.896 1.00 10.00 N ATOM 56 CA THR A 5 4.697 -8.939 0.466 1.00 10.00 C ATOM 57 C THR A 5 3.548 -9.844 0.020 1.00 10.00 C ATOM 58 O THR A 5 3.026 -10.628 0.812 1.00 10.00 O ATOM 59 CB THR A 5 6.081 -9.517 0.161 1.00 10.00 C ATOM 60 OG1 THR A 5 6.965 -8.413 0.331 1.00 10.00 O ATOM 61 CG2 THR A 5 6.242 -9.900 -1.312 1.00 10.00 C ATOM 0 H THR A 5 5.427 -9.018 2.429 1.00 10.00 H new ATOM 0 HA THR A 5 4.581 -8.017 -0.103 1.00 10.00 H new ATOM 0 HB THR A 5 6.254 -10.393 0.786 1.00 10.00 H new ATOM 0 HG1 THR A 5 7.767 -8.549 -0.215 1.00 10.00 H new ATOM 0 HG21 THR A 5 7.241 -10.305 -1.476 1.00 10.00 H new ATOM 0 HG22 THR A 5 5.498 -10.652 -1.576 1.00 10.00 H new ATOM 0 HG23 THR A 5 6.102 -9.017 -1.935 1.00 10.00 H new ATOM 69 N TYR A 6 3.187 -9.708 -1.247 1.00 10.00 N ATOM 70 CA TYR A 6 2.109 -10.504 -1.809 1.00 10.00 C ATOM 71 C TYR A 6 2.503 -11.077 -3.172 1.00 10.00 C ATOM 72 O TYR A 6 3.512 -10.675 -3.751 1.00 10.00 O ATOM 73 CB TYR A 6 0.929 -9.547 -1.993 1.00 10.00 C ATOM 74 CG TYR A 6 -0.105 -9.612 -0.867 1.00 10.00 C ATOM 75 CD1 TYR A 6 0.278 -9.377 0.437 1.00 10.00 C ATOM 76 CD2 TYR A 6 -1.422 -9.905 -1.157 1.00 10.00 C ATOM 77 CE1 TYR A 6 -0.695 -9.438 1.496 1.00 10.00 C ATOM 78 CE2 TYR A 6 -2.396 -9.965 -0.098 1.00 10.00 C ATOM 79 CZ TYR A 6 -1.985 -9.729 1.176 1.00 10.00 C ATOM 80 OH TYR A 6 -2.904 -9.786 2.177 1.00 10.00 O ATOM 0 H TYR A 6 3.622 -9.058 -1.901 1.00 10.00 H new ATOM 0 HA TYR A 6 1.870 -11.342 -1.154 1.00 10.00 H new ATOM 0 HB2 TYR A 6 1.309 -8.528 -2.066 1.00 10.00 H new ATOM 0 HB3 TYR A 6 0.436 -9.772 -2.939 1.00 10.00 H new ATOM 0 HD1 TYR A 6 1.309 -9.147 0.664 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.722 -10.089 -2.178 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -0.408 -9.257 2.521 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -3.430 -10.192 -0.311 1.00 10.00 H new ATOM 0 HH TYR A 6 -3.783 -10.002 1.802 1.00 10.00 H new ATOM 90 N GLU A 7 1.686 -12.006 -3.646 1.00 10.00 N ATOM 91 CA GLU A 7 1.936 -12.638 -4.930 1.00 10.00 C ATOM 92 C GLU A 7 0.739 -12.438 -5.862 1.00 10.00 C ATOM 93 O GLU A 7 -0.372 -12.864 -5.551 1.00 10.00 O ATOM 94 CB GLU A 7 2.254 -14.124 -4.757 1.00 10.00 C ATOM 95 CG GLU A 7 3.609 -14.319 -4.072 1.00 10.00 C ATOM 96 CD GLU A 7 4.532 -15.196 -4.921 1.00 10.00 C ATOM 97 OE1 GLU A 7 4.075 -16.293 -5.307 1.00 10.00 O ATOM 98 OE2 GLU A 7 5.673 -14.749 -5.163 1.00 10.00 O ATOM 0 H GLU A 7 0.850 -12.336 -3.164 1.00 10.00 H new ATOM 0 HA GLU A 7 2.807 -12.164 -5.383 1.00 10.00 H new ATOM 0 HB2 GLU A 7 1.472 -14.601 -4.166 1.00 10.00 H new ATOM 0 HB3 GLU A 7 2.261 -14.614 -5.731 1.00 10.00 H new ATOM 0 HG2 GLU A 7 4.077 -13.350 -3.902 1.00 10.00 H new ATOM 0 HG3 GLU A 7 3.463 -14.778 -3.094 1.00 10.00 H new ATOM 105 N ASN A 8 1.007 -11.792 -6.987 1.00 10.00 N ATOM 106 CA ASN A 8 -0.034 -11.530 -7.967 1.00 10.00 C ATOM 107 C ASN A 8 0.167 -12.448 -9.174 1.00 10.00 C ATOM 108 O ASN A 8 1.115 -13.231 -9.214 1.00 10.00 O ATOM 109 CB ASN A 8 0.023 -10.082 -8.459 1.00 10.00 C ATOM 110 CG ASN A 8 -0.688 -9.144 -7.482 1.00 10.00 C ATOM 111 OD1 ASN A 8 -1.743 -9.444 -6.949 1.00 10.00 O ATOM 112 ND2 ASN A 8 -0.054 -7.992 -7.280 1.00 10.00 N ATOM 0 H ASN A 8 1.930 -11.442 -7.242 1.00 10.00 H new ATOM 0 HA ASN A 8 -0.998 -11.711 -7.492 1.00 10.00 H new ATOM 0 HB2 ASN A 8 1.062 -9.774 -8.574 1.00 10.00 H new ATOM 0 HB3 ASN A 8 -0.442 -10.009 -9.442 1.00 10.00 H new ATOM 0 HD21 ASN A 8 -0.449 -7.297 -6.647 1.00 10.00 H new ATOM 0 HD22 ASN A 8 0.827 -7.804 -7.759 1.00 10.00 H new ATOM 119 N LYS A 9 -0.743 -12.321 -10.130 1.00 10.00 N ATOM 120 CA LYS A 9 -0.678 -13.131 -11.336 1.00 10.00 C ATOM 121 C LYS A 9 0.277 -12.474 -12.334 1.00 10.00 C ATOM 122 O LYS A 9 1.061 -13.157 -12.990 1.00 10.00 O ATOM 123 CB LYS A 9 -2.081 -13.371 -11.895 1.00 10.00 C ATOM 124 CG LYS A 9 -2.438 -14.859 -11.860 1.00 10.00 C ATOM 125 CD LYS A 9 -3.863 -15.093 -12.365 1.00 10.00 C ATOM 126 CE LYS A 9 -4.776 -15.560 -11.229 1.00 10.00 C ATOM 127 NZ LYS A 9 -5.186 -14.413 -10.388 1.00 10.00 N ATOM 0 H LYS A 9 -1.528 -11.671 -10.094 1.00 10.00 H new ATOM 0 HA LYS A 9 -0.276 -14.119 -11.111 1.00 10.00 H new ATOM 0 HB2 LYS A 9 -2.809 -12.805 -11.315 1.00 10.00 H new ATOM 0 HB3 LYS A 9 -2.136 -13.004 -12.920 1.00 10.00 H new ATOM 0 HG2 LYS A 9 -1.734 -15.420 -12.474 1.00 10.00 H new ATOM 0 HG3 LYS A 9 -2.343 -15.236 -10.842 1.00 10.00 H new ATOM 0 HD2 LYS A 9 -4.256 -14.173 -12.797 1.00 10.00 H new ATOM 0 HD3 LYS A 9 -3.854 -15.839 -13.159 1.00 10.00 H new ATOM 0 HE2 LYS A 9 -5.658 -16.050 -11.642 1.00 10.00 H new ATOM 0 HE3 LYS A 9 -4.257 -16.299 -10.618 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 -5.805 -14.748 -9.622 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 -4.342 -13.963 -9.979 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 -5.699 -13.721 -10.971 1.00 10.00 H new ATOM 141 N LYS A 10 0.181 -11.155 -12.419 1.00 10.00 N ATOM 142 CA LYS A 10 1.026 -10.398 -13.325 1.00 10.00 C ATOM 143 C LYS A 10 2.138 -9.713 -12.528 1.00 10.00 C ATOM 144 O LYS A 10 2.346 -8.508 -12.654 1.00 10.00 O ATOM 145 CB LYS A 10 0.186 -9.432 -14.162 1.00 10.00 C ATOM 146 CG LYS A 10 -0.721 -10.193 -15.131 1.00 10.00 C ATOM 147 CD LYS A 10 -0.660 -9.584 -16.534 1.00 10.00 C ATOM 148 CE LYS A 10 0.426 -10.256 -17.375 1.00 10.00 C ATOM 149 NZ LYS A 10 -0.111 -10.646 -18.698 1.00 10.00 N ATOM 0 H LYS A 10 -0.471 -10.591 -11.874 1.00 10.00 H new ATOM 0 HA LYS A 10 1.509 -11.065 -14.039 1.00 10.00 H new ATOM 0 HB2 LYS A 10 -0.420 -8.808 -13.505 1.00 10.00 H new ATOM 0 HB3 LYS A 10 0.842 -8.764 -14.720 1.00 10.00 H new ATOM 0 HG2 LYS A 10 -0.419 -11.239 -15.172 1.00 10.00 H new ATOM 0 HG3 LYS A 10 -1.748 -10.172 -14.766 1.00 10.00 H new ATOM 0 HD2 LYS A 10 -1.627 -9.695 -17.025 1.00 10.00 H new ATOM 0 HD3 LYS A 10 -0.460 -8.515 -16.462 1.00 10.00 H new ATOM 0 HE2 LYS A 10 1.268 -9.576 -17.504 1.00 10.00 H new ATOM 0 HE3 LYS A 10 0.804 -11.136 -16.855 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 0.639 -11.101 -19.257 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 -0.900 -11.312 -18.570 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 -0.450 -9.800 -19.198 1.00 10.00 H new ATOM 163 N GLY A 11 2.825 -10.512 -11.724 1.00 10.00 N ATOM 164 CA GLY A 11 3.910 -9.997 -10.905 1.00 10.00 C ATOM 165 C GLY A 11 3.629 -10.224 -9.419 1.00 10.00 C ATOM 166 O GLY A 11 2.901 -11.145 -9.053 1.00 10.00 O ATOM 0 H GLY A 11 2.651 -11.512 -11.622 1.00 10.00 H new ATOM 0 HA2 GLY A 11 4.844 -10.487 -11.181 1.00 10.00 H new ATOM 0 HA3 GLY A 11 4.041 -8.932 -11.096 1.00 10.00 H new ATOM 170 N ASN A 12 4.222 -9.366 -8.601 1.00 10.00 N ATOM 171 CA ASN A 12 4.046 -9.460 -7.161 1.00 10.00 C ATOM 172 C ASN A 12 4.196 -8.070 -6.542 1.00 10.00 C ATOM 173 O ASN A 12 5.147 -7.351 -6.844 1.00 10.00 O ATOM 174 CB ASN A 12 5.101 -10.373 -6.535 1.00 10.00 C ATOM 175 CG ASN A 12 5.060 -11.769 -7.161 1.00 10.00 C ATOM 176 OD1 ASN A 12 4.038 -12.435 -7.189 1.00 10.00 O ATOM 177 ND2 ASN A 12 6.225 -12.172 -7.661 1.00 10.00 N ATOM 0 H ASN A 12 4.825 -8.603 -8.908 1.00 10.00 H new ATOM 0 HA ASN A 12 3.055 -9.871 -6.969 1.00 10.00 H new ATOM 0 HB2 ASN A 12 6.091 -9.938 -6.672 1.00 10.00 H new ATOM 0 HB3 ASN A 12 4.932 -10.447 -5.461 1.00 10.00 H new ATOM 0 HD21 ASN A 12 6.301 -13.089 -8.101 1.00 10.00 H new ATOM 0 HD22 ASN A 12 7.042 -11.564 -7.604 1.00 10.00 H new ATOM 184 N VAL A 13 3.242 -7.732 -5.686 1.00 10.00 N ATOM 185 CA VAL A 13 3.257 -6.440 -5.021 1.00 10.00 C ATOM 186 C VAL A 13 3.807 -6.606 -3.603 1.00 10.00 C ATOM 187 O VAL A 13 3.320 -7.438 -2.838 1.00 10.00 O ATOM 188 CB VAL A 13 1.858 -5.820 -5.051 1.00 10.00 C ATOM 189 CG1 VAL A 13 0.828 -6.762 -4.423 1.00 10.00 C ATOM 190 CG2 VAL A 13 1.848 -4.456 -4.357 1.00 10.00 C ATOM 0 H VAL A 13 2.454 -8.330 -5.438 1.00 10.00 H new ATOM 0 HA VAL A 13 3.916 -5.749 -5.546 1.00 10.00 H new ATOM 0 HB VAL A 13 1.581 -5.667 -6.094 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -0.158 -6.298 -4.457 1.00 10.00 H new ATOM 0 HG12 VAL A 13 0.807 -7.700 -4.978 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.100 -6.960 -3.386 1.00 10.00 H new ATOM 0 HG21 VAL A 13 0.842 -4.037 -4.392 1.00 10.00 H new ATOM 0 HG22 VAL A 13 2.156 -4.574 -3.318 1.00 10.00 H new ATOM 0 HG23 VAL A 13 2.539 -3.784 -4.866 1.00 10.00 H new ATOM 200 N THR A 14 4.814 -5.803 -3.295 1.00 10.00 N ATOM 201 CA THR A 14 5.436 -5.852 -1.983 1.00 10.00 C ATOM 202 C THR A 14 4.931 -4.700 -1.111 1.00 10.00 C ATOM 203 O THR A 14 4.881 -3.555 -1.558 1.00 10.00 O ATOM 204 CB THR A 14 6.953 -5.847 -2.177 1.00 10.00 C ATOM 205 OG1 THR A 14 7.236 -7.128 -2.734 1.00 10.00 O ATOM 206 CG2 THR A 14 7.714 -5.840 -0.850 1.00 10.00 C ATOM 0 H THR A 14 5.215 -5.114 -3.932 1.00 10.00 H new ATOM 0 HA THR A 14 5.166 -6.764 -1.451 1.00 10.00 H new ATOM 0 HB THR A 14 7.241 -4.975 -2.764 1.00 10.00 H new ATOM 0 HG1 THR A 14 8.199 -7.210 -2.893 1.00 10.00 H new ATOM 0 HG21 THR A 14 8.786 -5.837 -1.046 1.00 10.00 H new ATOM 0 HG22 THR A 14 7.446 -4.949 -0.282 1.00 10.00 H new ATOM 0 HG23 THR A 14 7.453 -6.729 -0.276 1.00 10.00 H new ATOM 214 N PHE A 15 4.572 -5.043 0.117 1.00 10.00 N ATOM 215 CA PHE A 15 4.074 -4.052 1.056 1.00 10.00 C ATOM 216 C PHE A 15 5.183 -3.585 2.001 1.00 10.00 C ATOM 217 O PHE A 15 6.326 -4.027 1.889 1.00 10.00 O ATOM 218 CB PHE A 15 2.972 -4.726 1.875 1.00 10.00 C ATOM 219 CG PHE A 15 1.677 -4.968 1.097 1.00 10.00 C ATOM 220 CD1 PHE A 15 1.692 -5.738 -0.024 1.00 10.00 C ATOM 221 CD2 PHE A 15 0.512 -4.413 1.525 1.00 10.00 C ATOM 222 CE1 PHE A 15 0.490 -5.963 -0.747 1.00 10.00 C ATOM 223 CE2 PHE A 15 -0.689 -4.638 0.803 1.00 10.00 C ATOM 224 CZ PHE A 15 -0.674 -5.408 -0.318 1.00 10.00 C ATOM 0 H PHE A 15 4.616 -5.994 0.484 1.00 10.00 H new ATOM 0 HA PHE A 15 3.704 -3.181 0.516 1.00 10.00 H new ATOM 0 HB2 PHE A 15 3.343 -5.681 2.248 1.00 10.00 H new ATOM 0 HB3 PHE A 15 2.751 -4.108 2.745 1.00 10.00 H new ATOM 0 HD1 PHE A 15 2.618 -6.178 -0.364 1.00 10.00 H new ATOM 0 HD2 PHE A 15 0.500 -3.801 2.415 1.00 10.00 H new ATOM 0 HE1 PHE A 15 0.501 -6.575 -1.637 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -1.615 -4.198 1.144 1.00 10.00 H new ATOM 0 HZ PHE A 15 -1.588 -5.579 -0.868 1.00 10.00 H new ATOM 234 N ASP A 16 4.807 -2.700 2.912 1.00 10.00 N ATOM 235 CA ASP A 16 5.756 -2.169 3.876 1.00 10.00 C ATOM 236 C ASP A 16 4.998 -1.670 5.108 1.00 10.00 C ATOM 237 O ASP A 16 4.279 -0.674 5.037 1.00 10.00 O ATOM 238 CB ASP A 16 6.535 -0.990 3.290 1.00 10.00 C ATOM 239 CG ASP A 16 7.298 -1.297 2.001 1.00 10.00 C ATOM 240 OD1 ASP A 16 8.024 -2.314 1.999 1.00 10.00 O ATOM 241 OD2 ASP A 16 7.139 -0.507 1.045 1.00 10.00 O ATOM 0 H ASP A 16 3.858 -2.337 3.003 1.00 10.00 H new ATOM 0 HA ASP A 16 6.452 -2.966 4.139 1.00 10.00 H new ATOM 0 HB2 ASP A 16 5.839 -0.174 3.097 1.00 10.00 H new ATOM 0 HB3 ASP A 16 7.244 -0.634 4.038 1.00 10.00 H new ATOM 246 N HIS A 17 5.185 -2.383 6.208 1.00 10.00 N ATOM 247 CA HIS A 17 4.529 -2.024 7.454 1.00 10.00 C ATOM 248 C HIS A 17 5.445 -1.115 8.273 1.00 10.00 C ATOM 249 O HIS A 17 5.018 -0.063 8.749 1.00 10.00 O ATOM 250 CB HIS A 17 4.097 -3.277 8.220 1.00 10.00 C ATOM 251 CG HIS A 17 2.649 -3.267 8.647 1.00 10.00 C ATOM 252 ND1 HIS A 17 2.235 -3.670 9.904 1.00 10.00 N ATOM 253 CD2 HIS A 17 1.523 -2.898 7.971 1.00 10.00 C ATOM 254 CE1 HIS A 17 0.917 -3.547 9.971 1.00 10.00 C ATOM 255 NE2 HIS A 17 0.478 -3.068 8.771 1.00 10.00 N ATOM 0 H HIS A 17 5.782 -3.208 6.263 1.00 10.00 H new ATOM 0 HA HIS A 17 3.617 -1.465 7.242 1.00 10.00 H new ATOM 0 HB2 HIS A 17 4.275 -4.152 7.595 1.00 10.00 H new ATOM 0 HB3 HIS A 17 4.725 -3.384 9.104 1.00 10.00 H new ATOM 0 HD2 HIS A 17 1.488 -2.530 6.956 1.00 10.00 H new ATOM 0 HE1 HIS A 17 0.299 -3.784 10.825 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -0.493 -2.873 8.529 1.00 10.00 H new ATOM 263 N LYS A 18 6.689 -1.551 8.414 1.00 10.00 N ATOM 264 CA LYS A 18 7.669 -0.788 9.168 1.00 10.00 C ATOM 265 C LYS A 18 8.314 0.253 8.250 1.00 10.00 C ATOM 266 O LYS A 18 8.474 1.411 8.636 1.00 10.00 O ATOM 267 CB LYS A 18 8.676 -1.725 9.838 1.00 10.00 C ATOM 268 CG LYS A 18 9.582 -0.956 10.802 1.00 10.00 C ATOM 269 CD LYS A 18 9.172 -1.202 12.255 1.00 10.00 C ATOM 270 CE LYS A 18 8.225 -0.107 12.751 1.00 10.00 C ATOM 271 NZ LYS A 18 7.573 -0.518 14.014 1.00 10.00 N ATOM 0 H LYS A 18 7.040 -2.423 8.019 1.00 10.00 H new ATOM 0 HA LYS A 18 7.186 -0.243 9.979 1.00 10.00 H new ATOM 0 HB2 LYS A 18 8.145 -2.509 10.379 1.00 10.00 H new ATOM 0 HB3 LYS A 18 9.282 -2.217 9.078 1.00 10.00 H new ATOM 0 HG2 LYS A 18 10.618 -1.263 10.656 1.00 10.00 H new ATOM 0 HG3 LYS A 18 9.531 0.110 10.582 1.00 10.00 H new ATOM 0 HD2 LYS A 18 8.686 -2.174 12.340 1.00 10.00 H new ATOM 0 HD3 LYS A 18 10.060 -1.233 12.887 1.00 10.00 H new ATOM 0 HE2 LYS A 18 8.779 0.819 12.906 1.00 10.00 H new ATOM 0 HE3 LYS A 18 7.468 0.098 11.994 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 6.934 0.237 14.336 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 7.028 -1.389 13.856 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 8.298 -0.690 14.739 1.00 10.00 H new ATOM 285 N ALA A 19 8.666 -0.195 7.055 1.00 10.00 N ATOM 286 CA ALA A 19 9.289 0.683 6.080 1.00 10.00 C ATOM 287 C ALA A 19 8.428 1.936 5.904 1.00 10.00 C ATOM 288 O ALA A 19 8.942 3.008 5.588 1.00 10.00 O ATOM 289 CB ALA A 19 9.493 -0.074 4.766 1.00 10.00 C ATOM 0 H ALA A 19 8.532 -1.156 6.739 1.00 10.00 H new ATOM 0 HA ALA A 19 10.271 1.004 6.426 1.00 10.00 H new ATOM 0 HB1 ALA A 19 9.961 0.586 4.035 1.00 10.00 H new ATOM 0 HB2 ALA A 19 10.136 -0.937 4.939 1.00 10.00 H new ATOM 0 HB3 ALA A 19 8.528 -0.410 4.386 1.00 10.00 H new ATOM 295 N HIS A 20 7.132 1.759 6.115 1.00 10.00 N ATOM 296 CA HIS A 20 6.194 2.861 5.983 1.00 10.00 C ATOM 297 C HIS A 20 5.965 3.505 7.351 1.00 10.00 C ATOM 298 O HIS A 20 6.189 4.702 7.524 1.00 10.00 O ATOM 299 CB HIS A 20 4.896 2.393 5.323 1.00 10.00 C ATOM 300 CG HIS A 20 5.013 2.159 3.836 1.00 10.00 C ATOM 301 ND1 HIS A 20 6.231 2.051 3.187 1.00 10.00 N ATOM 302 CD2 HIS A 20 4.054 2.011 2.878 1.00 10.00 C ATOM 303 CE1 HIS A 20 6.003 1.849 1.898 1.00 10.00 C ATOM 304 NE2 HIS A 20 4.652 1.824 1.709 1.00 10.00 N ATOM 0 H HIS A 20 6.709 0.868 6.377 1.00 10.00 H new ATOM 0 HA HIS A 20 6.612 3.624 5.326 1.00 10.00 H new ATOM 0 HB2 HIS A 20 4.570 1.469 5.801 1.00 10.00 H new ATOM 0 HB3 HIS A 20 4.120 3.137 5.503 1.00 10.00 H new ATOM 0 HD2 HIS A 20 2.987 2.041 3.043 1.00 10.00 H new ATOM 0 HE1 HIS A 20 6.754 1.726 1.132 1.00 10.00 H new ATOM 0 HE2 HIS A 20 4.180 1.684 0.816 1.00 10.00 H new ATOM 312 N ALA A 21 5.520 2.683 8.290 1.00 10.00 N ATOM 313 CA ALA A 21 5.258 3.158 9.638 1.00 10.00 C ATOM 314 C ALA A 21 6.363 4.130 10.056 1.00 10.00 C ATOM 315 O ALA A 21 6.082 5.236 10.514 1.00 10.00 O ATOM 316 CB ALA A 21 5.143 1.963 10.587 1.00 10.00 C ATOM 0 H ALA A 21 5.334 1.691 8.144 1.00 10.00 H new ATOM 0 HA ALA A 21 4.312 3.698 9.677 1.00 10.00 H new ATOM 0 HB1 ALA A 21 4.946 2.319 11.598 1.00 10.00 H new ATOM 0 HB2 ALA A 21 4.325 1.319 10.264 1.00 10.00 H new ATOM 0 HB3 ALA A 21 6.075 1.399 10.576 1.00 10.00 H new ATOM 322 N GLU A 22 7.598 3.681 9.883 1.00 10.00 N ATOM 323 CA GLU A 22 8.746 4.498 10.237 1.00 10.00 C ATOM 324 C GLU A 22 8.484 5.965 9.888 1.00 10.00 C ATOM 325 O GLU A 22 8.990 6.865 10.555 1.00 10.00 O ATOM 326 CB GLU A 22 10.013 3.989 9.547 1.00 10.00 C ATOM 327 CG GLU A 22 9.852 4.001 8.026 1.00 10.00 C ATOM 328 CD GLU A 22 11.103 4.561 7.345 1.00 10.00 C ATOM 329 OE1 GLU A 22 11.291 5.794 7.430 1.00 10.00 O ATOM 330 OE2 GLU A 22 11.842 3.745 6.756 1.00 10.00 O ATOM 0 H GLU A 22 7.828 2.763 9.503 1.00 10.00 H new ATOM 0 HA GLU A 22 8.901 4.424 11.313 1.00 10.00 H new ATOM 0 HB2 GLU A 22 10.861 4.612 9.831 1.00 10.00 H new ATOM 0 HB3 GLU A 22 10.233 2.976 9.885 1.00 10.00 H new ATOM 0 HG2 GLU A 22 9.662 2.989 7.669 1.00 10.00 H new ATOM 0 HG3 GLU A 22 8.985 4.603 7.753 1.00 10.00 H new ATOM 337 N LYS A 23 7.691 6.158 8.844 1.00 10.00 N ATOM 338 CA LYS A 23 7.354 7.500 8.398 1.00 10.00 C ATOM 339 C LYS A 23 5.942 7.849 8.869 1.00 10.00 C ATOM 340 O LYS A 23 5.734 8.878 9.512 1.00 10.00 O ATOM 341 CB LYS A 23 7.546 7.625 6.886 1.00 10.00 C ATOM 342 CG LYS A 23 8.909 8.238 6.556 1.00 10.00 C ATOM 343 CD LYS A 23 8.886 9.757 6.739 1.00 10.00 C ATOM 344 CE LYS A 23 10.001 10.424 5.930 1.00 10.00 C ATOM 345 NZ LYS A 23 9.433 11.361 4.936 1.00 10.00 N ATOM 0 H LYS A 23 7.272 5.408 8.294 1.00 10.00 H new ATOM 0 HA LYS A 23 8.029 8.231 8.844 1.00 10.00 H new ATOM 0 HB2 LYS A 23 7.463 6.642 6.423 1.00 10.00 H new ATOM 0 HB3 LYS A 23 6.753 8.243 6.465 1.00 10.00 H new ATOM 0 HG2 LYS A 23 9.673 7.802 7.200 1.00 10.00 H new ATOM 0 HG3 LYS A 23 9.181 7.996 5.529 1.00 10.00 H new ATOM 0 HD2 LYS A 23 7.919 10.150 6.425 1.00 10.00 H new ATOM 0 HD3 LYS A 23 9.002 10.001 7.795 1.00 10.00 H new ATOM 0 HE2 LYS A 23 10.674 10.960 6.600 1.00 10.00 H new ATOM 0 HE3 LYS A 23 10.595 9.663 5.423 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 10.204 11.804 4.397 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 8.810 10.841 4.286 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 8.886 12.097 5.426 1.00 10.00 H new ATOM 359 N LEU A 24 5.006 6.973 8.533 1.00 10.00 N ATOM 360 CA LEU A 24 3.619 7.177 8.914 1.00 10.00 C ATOM 361 C LEU A 24 3.498 7.112 10.437 1.00 10.00 C ATOM 362 O LEU A 24 3.839 8.070 11.131 1.00 10.00 O ATOM 363 CB LEU A 24 2.711 6.184 8.184 1.00 10.00 C ATOM 364 CG LEU A 24 2.645 6.330 6.662 1.00 10.00 C ATOM 365 CD1 LEU A 24 3.981 5.953 6.017 1.00 10.00 C ATOM 366 CD2 LEU A 24 1.481 5.524 6.083 1.00 10.00 C ATOM 0 H LEU A 24 5.181 6.120 8.001 1.00 10.00 H new ATOM 0 HA LEU A 24 3.283 8.168 8.608 1.00 10.00 H new ATOM 0 HB2 LEU A 24 3.048 5.174 8.418 1.00 10.00 H new ATOM 0 HB3 LEU A 24 1.702 6.284 8.583 1.00 10.00 H new ATOM 0 HG LEU A 24 2.458 7.378 6.427 1.00 10.00 H new ATOM 0 HD11 LEU A 24 3.907 6.065 4.935 1.00 10.00 H new ATOM 0 HD12 LEU A 24 4.766 6.607 6.397 1.00 10.00 H new ATOM 0 HD13 LEU A 24 4.222 4.918 6.259 1.00 10.00 H new ATOM 0 HD21 LEU A 24 1.457 5.646 5.000 1.00 10.00 H new ATOM 0 HD22 LEU A 24 1.611 4.470 6.327 1.00 10.00 H new ATOM 0 HD23 LEU A 24 0.543 5.882 6.509 1.00 10.00 H new ATOM 378 N GLY A 25 3.012 5.975 10.914 1.00 10.00 N ATOM 379 CA GLY A 25 2.842 5.774 12.343 1.00 10.00 C ATOM 380 C GLY A 25 1.440 5.250 12.661 1.00 10.00 C ATOM 381 O GLY A 25 0.802 5.707 13.608 1.00 10.00 O ATOM 0 H GLY A 25 2.731 5.183 10.336 1.00 10.00 H new ATOM 0 HA2 GLY A 25 3.589 5.068 12.706 1.00 10.00 H new ATOM 0 HA3 GLY A 25 3.010 6.714 12.868 1.00 10.00 H new ATOM 385 N CYS A 26 1.001 4.299 11.850 1.00 10.00 N ATOM 386 CA CYS A 26 -0.314 3.709 12.032 1.00 10.00 C ATOM 387 C CYS A 26 -1.340 4.839 12.126 1.00 10.00 C ATOM 388 O CYS A 26 -1.460 5.488 13.164 1.00 10.00 O ATOM 389 CB CYS A 26 -0.358 2.794 13.257 1.00 10.00 C ATOM 390 SG CYS A 26 1.234 2.621 14.144 1.00 10.00 S ATOM 0 H CYS A 26 1.533 3.922 11.065 1.00 10.00 H new ATOM 0 HA CYS A 26 -0.552 3.075 11.178 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -1.105 3.177 13.952 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -0.692 1.805 12.943 1.00 10.00 H new ATOM 0 HG CYS A 26 1.079 1.828 15.162 1.00 10.00 H new ATOM 395 N ASP A 27 -2.053 5.041 11.028 1.00 10.00 N ATOM 396 CA ASP A 27 -3.066 6.082 10.974 1.00 10.00 C ATOM 397 C ASP A 27 -3.425 6.363 9.513 1.00 10.00 C ATOM 398 O ASP A 27 -4.551 6.753 9.212 1.00 10.00 O ATOM 399 CB ASP A 27 -2.551 7.383 11.593 1.00 10.00 C ATOM 400 CG ASP A 27 -3.322 7.863 12.824 1.00 10.00 C ATOM 401 OD1 ASP A 27 -4.570 7.866 12.746 1.00 10.00 O ATOM 402 OD2 ASP A 27 -2.647 8.217 13.814 1.00 10.00 O ATOM 0 H ASP A 27 -1.950 4.502 10.168 1.00 10.00 H new ATOM 0 HA ASP A 27 -3.936 5.736 11.532 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -1.505 7.248 11.868 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -2.583 8.166 10.835 1.00 10.00 H new ATOM 407 N ALA A 28 -2.446 6.153 8.646 1.00 10.00 N ATOM 408 CA ALA A 28 -2.644 6.377 7.224 1.00 10.00 C ATOM 409 C ALA A 28 -3.498 5.247 6.647 1.00 10.00 C ATOM 410 O ALA A 28 -4.197 5.436 5.652 1.00 10.00 O ATOM 411 CB ALA A 28 -1.286 6.494 6.530 1.00 10.00 C ATOM 0 H ALA A 28 -1.513 5.830 8.901 1.00 10.00 H new ATOM 0 HA ALA A 28 -3.178 7.312 7.055 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -1.436 6.662 5.463 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -0.731 7.331 6.955 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -0.722 5.573 6.677 1.00 10.00 H new ATOM 417 N CYS A 29 -3.413 4.094 7.296 1.00 10.00 N ATOM 418 CA CYS A 29 -4.169 2.933 6.860 1.00 10.00 C ATOM 419 C CYS A 29 -5.205 2.601 7.937 1.00 10.00 C ATOM 420 O CYS A 29 -6.378 2.390 7.631 1.00 10.00 O ATOM 421 CB CYS A 29 -3.255 1.742 6.562 1.00 10.00 C ATOM 422 SG CYS A 29 -1.719 2.162 5.661 1.00 10.00 S ATOM 0 H CYS A 29 -2.832 3.940 8.120 1.00 10.00 H new ATOM 0 HA CYS A 29 -4.679 3.159 5.924 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -2.988 1.262 7.504 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -3.814 1.010 5.979 1.00 10.00 H new ATOM 0 HG CYS A 29 -1.022 1.082 5.465 1.00 10.00 H new ATOM 427 N HIS A 30 -4.733 2.565 9.175 1.00 10.00 N ATOM 428 CA HIS A 30 -5.603 2.263 10.299 1.00 10.00 C ATOM 429 C HIS A 30 -6.005 3.561 11.001 1.00 10.00 C ATOM 430 O HIS A 30 -5.576 4.644 10.605 1.00 10.00 O ATOM 431 CB HIS A 30 -4.940 1.258 11.244 1.00 10.00 C ATOM 432 CG HIS A 30 -4.180 0.161 10.538 1.00 10.00 C ATOM 433 ND1 HIS A 30 -4.778 -1.013 10.115 1.00 10.00 N ATOM 434 CD2 HIS A 30 -2.865 0.072 10.186 1.00 10.00 C ATOM 435 CE1 HIS A 30 -3.855 -1.767 9.537 1.00 10.00 C ATOM 436 NE2 HIS A 30 -2.670 -1.093 9.583 1.00 10.00 N ATOM 0 H HIS A 30 -3.759 2.740 9.424 1.00 10.00 H new ATOM 0 HA HIS A 30 -6.516 1.788 9.939 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -4.257 1.792 11.905 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -5.706 0.807 11.875 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -2.110 0.823 10.368 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -4.013 -2.744 9.105 1.00 10.00 H new ATOM 0 HE2 HIS A 30 -1.780 -1.430 9.214 1.00 10.00 H new ATOM 444 N GLU A 31 -6.825 3.411 12.031 1.00 10.00 N ATOM 445 CA GLU A 31 -7.289 4.558 12.792 1.00 10.00 C ATOM 446 C GLU A 31 -8.388 4.136 13.769 1.00 10.00 C ATOM 447 O GLU A 31 -9.564 4.418 13.546 1.00 10.00 O ATOM 448 CB GLU A 31 -7.779 5.670 11.862 1.00 10.00 C ATOM 449 CG GLU A 31 -8.694 5.110 10.772 1.00 10.00 C ATOM 450 CD GLU A 31 -9.055 6.191 9.751 1.00 10.00 C ATOM 451 OE1 GLU A 31 -8.113 6.697 9.102 1.00 10.00 O ATOM 452 OE2 GLU A 31 -10.264 6.487 9.641 1.00 10.00 O ATOM 0 H GLU A 31 -7.180 2.512 12.356 1.00 10.00 H new ATOM 0 HA GLU A 31 -6.451 4.953 13.366 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -8.315 6.423 12.440 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -6.925 6.169 11.404 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -8.200 4.279 10.268 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -9.603 4.713 11.224 1.00 10.00 H new ATOM 459 N GLY A 32 -7.965 3.468 14.833 1.00 10.00 N ATOM 460 CA GLY A 32 -8.899 3.005 15.845 1.00 10.00 C ATOM 461 C GLY A 32 -8.666 1.529 16.172 1.00 10.00 C ATOM 462 O GLY A 32 -8.576 1.154 17.340 1.00 10.00 O ATOM 0 H GLY A 32 -6.989 3.237 15.016 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -8.787 3.603 16.749 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -9.921 3.146 15.494 1.00 10.00 H new ATOM 466 N THR A 33 -8.574 0.730 15.119 1.00 10.00 N ATOM 467 CA THR A 33 -8.352 -0.697 15.279 1.00 10.00 C ATOM 468 C THR A 33 -7.519 -1.242 14.117 1.00 10.00 C ATOM 469 O THR A 33 -8.018 -1.378 13.002 1.00 10.00 O ATOM 470 CB THR A 33 -9.717 -1.374 15.417 1.00 10.00 C ATOM 471 OG1 THR A 33 -10.190 -0.945 16.691 1.00 10.00 O ATOM 472 CG2 THR A 33 -9.605 -2.894 15.554 1.00 10.00 C ATOM 0 H THR A 33 -8.649 1.044 14.151 1.00 10.00 H new ATOM 0 HA THR A 33 -7.774 -0.909 16.179 1.00 10.00 H new ATOM 0 HB THR A 33 -10.332 -1.132 14.550 1.00 10.00 H new ATOM 0 HG1 THR A 33 -11.072 -1.336 16.861 1.00 10.00 H new ATOM 0 HG21 THR A 33 -10.602 -3.325 15.649 1.00 10.00 H new ATOM 0 HG22 THR A 33 -9.115 -3.304 14.671 1.00 10.00 H new ATOM 0 HG23 THR A 33 -9.019 -3.137 16.440 1.00 10.00 H new ATOM 480 N PRO A 34 -6.229 -1.545 14.428 1.00 10.00 N ATOM 481 CA PRO A 34 -5.322 -2.071 13.423 1.00 10.00 C ATOM 482 C PRO A 34 -5.631 -3.539 13.119 1.00 10.00 C ATOM 483 O PRO A 34 -5.034 -4.437 13.710 1.00 10.00 O ATOM 484 CB PRO A 34 -3.931 -1.863 14.001 1.00 10.00 C ATOM 485 CG PRO A 34 -4.128 -1.659 15.494 1.00 10.00 C ATOM 486 CD PRO A 34 -5.605 -1.396 15.739 1.00 10.00 C ATOM 0 HA PRO A 34 -5.419 -1.565 12.462 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -3.293 -2.725 13.805 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -3.445 -0.998 13.549 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -3.801 -2.540 16.046 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -3.528 -0.821 15.847 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -6.019 -2.103 16.458 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -5.768 -0.397 16.144 1.00 10.00 H new ATOM 494 N ALA A 35 -6.563 -3.736 12.199 1.00 10.00 N ATOM 495 CA ALA A 35 -6.958 -5.078 11.810 1.00 10.00 C ATOM 496 C ALA A 35 -6.496 -5.347 10.376 1.00 10.00 C ATOM 497 O ALA A 35 -5.892 -4.483 9.743 1.00 10.00 O ATOM 498 CB ALA A 35 -8.472 -5.232 11.971 1.00 10.00 C ATOM 0 H ALA A 35 -7.056 -2.988 11.711 1.00 10.00 H new ATOM 0 HA ALA A 35 -6.483 -5.818 12.454 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -8.768 -6.239 11.679 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -8.747 -5.060 13.012 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -8.981 -4.506 11.337 1.00 10.00 H new ATOM 504 N LYS A 36 -6.796 -6.549 9.907 1.00 10.00 N ATOM 505 CA LYS A 36 -6.418 -6.942 8.560 1.00 10.00 C ATOM 506 C LYS A 36 -7.269 -6.169 7.550 1.00 10.00 C ATOM 507 O LYS A 36 -8.480 -6.371 7.470 1.00 10.00 O ATOM 508 CB LYS A 36 -6.504 -8.462 8.401 1.00 10.00 C ATOM 509 CG LYS A 36 -7.954 -8.941 8.489 1.00 10.00 C ATOM 510 CD LYS A 36 -8.412 -9.545 7.159 1.00 10.00 C ATOM 511 CE LYS A 36 -9.678 -8.852 6.651 1.00 10.00 C ATOM 512 NZ LYS A 36 -10.812 -9.804 6.619 1.00 10.00 N ATOM 0 H LYS A 36 -7.296 -7.264 10.435 1.00 10.00 H new ATOM 0 HA LYS A 36 -5.377 -6.683 8.365 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -6.078 -8.756 7.442 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -5.910 -8.947 9.176 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -8.048 -9.683 9.282 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -8.601 -8.106 8.756 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -7.618 -9.448 6.419 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -8.602 -10.611 7.285 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -9.922 -8.008 7.296 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -9.504 -8.450 5.653 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -11.664 -9.318 6.272 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -10.583 -10.596 5.985 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -10.987 -10.167 7.578 1.00 10.00 H new ATOM 526 N ILE A 37 -6.601 -5.301 6.804 1.00 10.00 N ATOM 527 CA ILE A 37 -7.281 -4.497 5.803 1.00 10.00 C ATOM 528 C ILE A 37 -7.591 -5.366 4.582 1.00 10.00 C ATOM 529 O ILE A 37 -6.973 -6.412 4.387 1.00 10.00 O ATOM 530 CB ILE A 37 -6.465 -3.246 5.475 1.00 10.00 C ATOM 531 CG1 ILE A 37 -6.198 -2.419 6.734 1.00 10.00 C ATOM 532 CG2 ILE A 37 -7.142 -2.420 4.380 1.00 10.00 C ATOM 533 CD1 ILE A 37 -5.004 -1.485 6.535 1.00 10.00 C ATOM 0 H ILE A 37 -5.597 -5.137 6.873 1.00 10.00 H new ATOM 0 HA ILE A 37 -8.234 -4.135 6.189 1.00 10.00 H new ATOM 0 HB ILE A 37 -5.497 -3.563 5.087 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -7.083 -1.834 6.984 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -6.007 -3.084 7.576 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.541 -1.536 4.166 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -7.236 -3.022 3.476 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -8.132 -2.112 4.716 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -4.837 -0.909 7.445 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -4.115 -2.074 6.310 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -5.208 -0.805 5.708 1.00 10.00 H new ATOM 545 N ALA A 38 -8.547 -4.901 3.791 1.00 10.00 N ATOM 546 CA ALA A 38 -8.946 -5.622 2.595 1.00 10.00 C ATOM 547 C ALA A 38 -8.280 -4.985 1.374 1.00 10.00 C ATOM 548 O ALA A 38 -8.821 -4.052 0.784 1.00 10.00 O ATOM 549 CB ALA A 38 -10.473 -5.630 2.489 1.00 10.00 C ATOM 0 H ALA A 38 -9.057 -4.033 3.956 1.00 10.00 H new ATOM 0 HA ALA A 38 -8.617 -6.660 2.645 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -10.773 -6.171 1.591 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -10.896 -6.120 3.366 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -10.839 -4.605 2.434 1.00 10.00 H new ATOM 555 N ILE A 39 -7.114 -5.514 1.033 1.00 10.00 N ATOM 556 CA ILE A 39 -6.368 -5.009 -0.107 1.00 10.00 C ATOM 557 C ILE A 39 -6.509 -5.984 -1.277 1.00 10.00 C ATOM 558 O ILE A 39 -6.356 -7.193 -1.105 1.00 10.00 O ATOM 559 CB ILE A 39 -4.916 -4.726 0.285 1.00 10.00 C ATOM 560 CG1 ILE A 39 -4.807 -3.426 1.084 1.00 10.00 C ATOM 561 CG2 ILE A 39 -4.006 -4.721 -0.945 1.00 10.00 C ATOM 562 CD1 ILE A 39 -5.081 -2.212 0.194 1.00 10.00 C ATOM 0 H ILE A 39 -6.668 -6.287 1.526 1.00 10.00 H new ATOM 0 HA ILE A 39 -6.778 -4.054 -0.436 1.00 10.00 H new ATOM 0 HB ILE A 39 -4.575 -5.532 0.934 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.516 -3.443 1.911 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -3.811 -3.345 1.520 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -2.980 -4.518 -0.638 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -4.052 -5.693 -1.435 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -4.337 -3.949 -1.639 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.997 -1.301 0.786 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -4.355 -2.185 -0.618 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -6.086 -2.284 -0.221 1.00 10.00 H new ATOM 574 N ASP A 40 -6.801 -5.423 -2.442 1.00 10.00 N ATOM 575 CA ASP A 40 -6.965 -6.228 -3.640 1.00 10.00 C ATOM 576 C ASP A 40 -7.461 -5.340 -4.782 1.00 10.00 C ATOM 577 O ASP A 40 -7.943 -4.232 -4.548 1.00 10.00 O ATOM 578 CB ASP A 40 -7.997 -7.337 -3.421 1.00 10.00 C ATOM 579 CG ASP A 40 -7.605 -8.705 -3.983 1.00 10.00 C ATOM 580 OD1 ASP A 40 -7.316 -8.758 -5.197 1.00 10.00 O ATOM 581 OD2 ASP A 40 -7.603 -9.666 -3.184 1.00 10.00 O ATOM 0 H ASP A 40 -6.928 -4.421 -2.581 1.00 10.00 H new ATOM 0 HA ASP A 40 -6.000 -6.675 -3.881 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -8.177 -7.439 -2.351 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -8.939 -7.031 -3.875 1.00 10.00 H new ATOM 586 N LYS A 41 -7.324 -5.857 -5.994 1.00 10.00 N ATOM 587 CA LYS A 41 -7.751 -5.125 -7.174 1.00 10.00 C ATOM 588 C LYS A 41 -8.955 -4.250 -6.817 1.00 10.00 C ATOM 589 O LYS A 41 -9.886 -4.708 -6.156 1.00 10.00 O ATOM 590 CB LYS A 41 -8.012 -6.085 -8.336 1.00 10.00 C ATOM 591 CG LYS A 41 -8.168 -5.321 -9.653 1.00 10.00 C ATOM 592 CD LYS A 41 -9.577 -5.494 -10.223 1.00 10.00 C ATOM 593 CE LYS A 41 -9.527 -5.916 -11.692 1.00 10.00 C ATOM 594 NZ LYS A 41 -9.797 -4.758 -12.574 1.00 10.00 N ATOM 0 H LYS A 41 -6.923 -6.775 -6.184 1.00 10.00 H new ATOM 0 HA LYS A 41 -6.960 -4.457 -7.515 1.00 10.00 H new ATOM 0 HB2 LYS A 41 -7.189 -6.795 -8.418 1.00 10.00 H new ATOM 0 HB3 LYS A 41 -8.914 -6.664 -8.138 1.00 10.00 H new ATOM 0 HG2 LYS A 41 -7.965 -4.263 -9.490 1.00 10.00 H new ATOM 0 HG3 LYS A 41 -7.433 -5.679 -10.374 1.00 10.00 H new ATOM 0 HD2 LYS A 41 -10.118 -6.243 -9.644 1.00 10.00 H new ATOM 0 HD3 LYS A 41 -10.129 -4.559 -10.128 1.00 10.00 H new ATOM 0 HE2 LYS A 41 -8.548 -6.336 -11.923 1.00 10.00 H new ATOM 0 HE3 LYS A 41 -10.261 -6.700 -11.876 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 -9.759 -5.062 -13.568 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 -10.741 -4.375 -12.365 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 -9.081 -4.022 -12.410 1.00 10.00 H new ATOM 608 N LYS A 42 -8.898 -3.007 -7.272 1.00 10.00 N ATOM 609 CA LYS A 42 -9.973 -2.064 -7.008 1.00 10.00 C ATOM 610 C LYS A 42 -9.670 -1.299 -5.719 1.00 10.00 C ATOM 611 O LYS A 42 -9.399 -0.100 -5.754 1.00 10.00 O ATOM 612 CB LYS A 42 -11.323 -2.782 -6.994 1.00 10.00 C ATOM 613 CG LYS A 42 -12.460 -1.818 -7.339 1.00 10.00 C ATOM 614 CD LYS A 42 -13.796 -2.557 -7.442 1.00 10.00 C ATOM 615 CE LYS A 42 -14.927 -1.599 -7.817 1.00 10.00 C ATOM 616 NZ LYS A 42 -15.925 -1.523 -6.727 1.00 10.00 N ATOM 0 H LYS A 42 -8.125 -2.631 -7.821 1.00 10.00 H new ATOM 0 HA LYS A 42 -10.038 -1.327 -7.808 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -11.309 -3.604 -7.709 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -11.497 -3.218 -6.010 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -12.528 -1.042 -6.576 1.00 10.00 H new ATOM 0 HG3 LYS A 42 -12.243 -1.318 -8.283 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -13.722 -3.347 -8.189 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -14.023 -3.038 -6.491 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -14.521 -0.607 -8.016 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -15.408 -1.936 -8.735 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -16.686 -0.868 -6.998 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -16.325 -2.468 -6.556 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -15.466 -1.180 -5.859 1.00 10.00 H new ATOM 630 N SER A 43 -9.725 -2.024 -4.611 1.00 10.00 N ATOM 631 CA SER A 43 -9.460 -1.428 -3.313 1.00 10.00 C ATOM 632 C SER A 43 -8.069 -0.790 -3.305 1.00 10.00 C ATOM 633 O SER A 43 -7.943 0.430 -3.194 1.00 10.00 O ATOM 634 CB SER A 43 -9.573 -2.469 -2.196 1.00 10.00 C ATOM 635 OG SER A 43 -10.559 -2.111 -1.231 1.00 10.00 O ATOM 0 H SER A 43 -9.949 -3.019 -4.586 1.00 10.00 H new ATOM 0 HA SER A 43 -10.208 -0.656 -3.131 1.00 10.00 H new ATOM 0 HB2 SER A 43 -9.823 -3.438 -2.628 1.00 10.00 H new ATOM 0 HB3 SER A 43 -8.607 -2.579 -1.704 1.00 10.00 H new ATOM 0 HG SER A 43 -10.602 -2.801 -0.536 1.00 10.00 H new ATOM 641 N ALA A 44 -7.061 -1.642 -3.421 1.00 10.00 N ATOM 642 CA ALA A 44 -5.685 -1.176 -3.428 1.00 10.00 C ATOM 643 C ALA A 44 -5.512 -0.128 -4.529 1.00 10.00 C ATOM 644 O ALA A 44 -4.548 0.637 -4.517 1.00 10.00 O ATOM 645 CB ALA A 44 -4.743 -2.368 -3.605 1.00 10.00 C ATOM 0 H ALA A 44 -7.170 -2.652 -3.511 1.00 10.00 H new ATOM 0 HA ALA A 44 -5.436 -0.702 -2.479 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -3.711 -2.018 -3.610 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -4.885 -3.069 -2.782 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -4.962 -2.868 -4.549 1.00 10.00 H new ATOM 651 N HIS A 45 -6.460 -0.126 -5.455 1.00 10.00 N ATOM 652 CA HIS A 45 -6.424 0.816 -6.560 1.00 10.00 C ATOM 653 C HIS A 45 -7.278 2.039 -6.221 1.00 10.00 C ATOM 654 O HIS A 45 -7.514 2.892 -7.074 1.00 10.00 O ATOM 655 CB HIS A 45 -6.850 0.140 -7.865 1.00 10.00 C ATOM 656 CG HIS A 45 -5.742 -0.624 -8.551 1.00 10.00 C ATOM 657 ND1 HIS A 45 -5.615 -0.685 -9.928 1.00 10.00 N ATOM 658 CD2 HIS A 45 -4.714 -1.356 -8.036 1.00 10.00 C ATOM 659 CE1 HIS A 45 -4.554 -1.423 -10.217 1.00 10.00 C ATOM 660 NE2 HIS A 45 -3.997 -1.839 -9.045 1.00 10.00 N ATOM 0 H HIS A 45 -7.257 -0.762 -5.462 1.00 10.00 H new ATOM 0 HA HIS A 45 -5.402 1.161 -6.714 1.00 10.00 H new ATOM 0 HB2 HIS A 45 -7.673 -0.543 -7.656 1.00 10.00 H new ATOM 0 HB3 HIS A 45 -7.231 0.899 -8.548 1.00 10.00 H new ATOM 0 HD2 HIS A 45 -4.516 -1.516 -6.986 1.00 10.00 H new ATOM 0 HE1 HIS A 45 -4.193 -1.655 -11.208 1.00 10.00 H new ATOM 0 HE2 HIS A 45 -3.167 -2.425 -8.957 1.00 10.00 H new ATOM 668 N LYS A 46 -7.718 2.086 -4.972 1.00 10.00 N ATOM 669 CA LYS A 46 -8.541 3.190 -4.509 1.00 10.00 C ATOM 670 C LYS A 46 -7.838 3.891 -3.345 1.00 10.00 C ATOM 671 O LYS A 46 -6.609 3.920 -3.284 1.00 10.00 O ATOM 672 CB LYS A 46 -9.951 2.703 -4.171 1.00 10.00 C ATOM 673 CG LYS A 46 -11.007 3.695 -4.661 1.00 10.00 C ATOM 674 CD LYS A 46 -12.418 3.199 -4.338 1.00 10.00 C ATOM 675 CE LYS A 46 -12.903 3.757 -2.999 1.00 10.00 C ATOM 676 NZ LYS A 46 -14.288 3.316 -2.725 1.00 10.00 N ATOM 0 H LYS A 46 -7.520 1.377 -4.266 1.00 10.00 H new ATOM 0 HA LYS A 46 -8.665 3.930 -5.300 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -10.122 1.729 -4.629 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -10.045 2.570 -3.093 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -10.843 4.666 -4.194 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -10.905 3.838 -5.737 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -13.103 3.500 -5.131 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -12.426 2.109 -4.306 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -12.243 3.422 -2.198 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -12.858 4.846 -3.014 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -14.602 3.704 -1.812 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -14.917 3.657 -3.480 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -14.321 2.277 -2.689 1.00 10.00 H new ATOM 690 N ASP A 47 -8.646 4.440 -2.451 1.00 10.00 N ATOM 691 CA ASP A 47 -8.116 5.139 -1.292 1.00 10.00 C ATOM 692 C ASP A 47 -6.904 4.379 -0.753 1.00 10.00 C ATOM 693 O ASP A 47 -5.887 4.983 -0.416 1.00 10.00 O ATOM 694 CB ASP A 47 -9.158 5.222 -0.175 1.00 10.00 C ATOM 695 CG ASP A 47 -9.548 6.642 0.242 1.00 10.00 C ATOM 696 OD1 ASP A 47 -8.637 7.373 0.684 1.00 10.00 O ATOM 697 OD2 ASP A 47 -10.749 6.961 0.109 1.00 10.00 O ATOM 0 H ASP A 47 -9.664 4.415 -2.505 1.00 10.00 H new ATOM 0 HA ASP A 47 -7.840 6.147 -1.603 1.00 10.00 H new ATOM 0 HB2 ASP A 47 -10.056 4.694 -0.497 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -8.775 4.695 0.699 1.00 10.00 H new ATOM 702 N ALA A 48 -7.051 3.063 -0.688 1.00 10.00 N ATOM 703 CA ALA A 48 -5.980 2.213 -0.195 1.00 10.00 C ATOM 704 C ALA A 48 -4.632 2.837 -0.561 1.00 10.00 C ATOM 705 O ALA A 48 -3.952 3.399 0.297 1.00 10.00 O ATOM 706 CB ALA A 48 -6.144 0.804 -0.765 1.00 10.00 C ATOM 0 H ALA A 48 -7.896 2.565 -0.969 1.00 10.00 H new ATOM 0 HA ALA A 48 -6.022 2.132 0.891 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -5.341 0.166 -0.395 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -7.105 0.395 -0.453 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -6.103 0.845 -1.853 1.00 10.00 H new ATOM 712 N CYS A 49 -4.285 2.716 -1.833 1.00 10.00 N ATOM 713 CA CYS A 49 -3.030 3.261 -2.322 1.00 10.00 C ATOM 714 C CYS A 49 -3.341 4.489 -3.180 1.00 10.00 C ATOM 715 O CYS A 49 -3.653 5.555 -2.654 1.00 10.00 O ATOM 716 CB CYS A 49 -2.222 2.215 -3.093 1.00 10.00 C ATOM 717 SG CYS A 49 -1.587 0.832 -2.077 1.00 10.00 S ATOM 0 H CYS A 49 -4.851 2.248 -2.541 1.00 10.00 H new ATOM 0 HA CYS A 49 -2.406 3.557 -1.479 1.00 10.00 H new ATOM 0 HB2 CYS A 49 -2.847 1.807 -3.887 1.00 10.00 H new ATOM 0 HB3 CYS A 49 -1.379 2.710 -3.574 1.00 10.00 H new ATOM 0 HG CYS A 49 -0.922 0.009 -2.832 1.00 10.00 H new ATOM 722 N LYS A 50 -3.244 4.297 -4.488 1.00 10.00 N ATOM 723 CA LYS A 50 -3.510 5.376 -5.424 1.00 10.00 C ATOM 724 C LYS A 50 -2.936 6.681 -4.869 1.00 10.00 C ATOM 725 O LYS A 50 -1.777 7.008 -5.117 1.00 10.00 O ATOM 726 CB LYS A 50 -5.005 5.448 -5.745 1.00 10.00 C ATOM 727 CG LYS A 50 -5.285 4.955 -7.165 1.00 10.00 C ATOM 728 CD LYS A 50 -4.866 5.999 -8.202 1.00 10.00 C ATOM 729 CE LYS A 50 -6.091 6.637 -8.863 1.00 10.00 C ATOM 730 NZ LYS A 50 -5.744 7.155 -10.206 1.00 10.00 N ATOM 0 H LYS A 50 -2.985 3.411 -4.921 1.00 10.00 H new ATOM 0 HA LYS A 50 -3.011 5.188 -6.375 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -5.564 4.844 -5.030 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -5.355 6.475 -5.637 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -4.747 4.024 -7.343 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -6.347 4.735 -7.274 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -4.263 6.771 -7.723 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -4.240 5.531 -8.962 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -6.891 5.902 -8.946 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -6.467 7.448 -8.240 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -6.586 7.584 -10.641 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -4.995 7.872 -10.119 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -5.407 6.373 -10.803 1.00 10.00 H new ATOM 744 N THR A 51 -3.773 7.391 -4.128 1.00 10.00 N ATOM 745 CA THR A 51 -3.364 8.653 -3.535 1.00 10.00 C ATOM 746 C THR A 51 -1.920 8.564 -3.037 1.00 10.00 C ATOM 747 O THR A 51 -1.085 9.394 -3.394 1.00 10.00 O ATOM 748 CB THR A 51 -4.365 9.006 -2.434 1.00 10.00 C ATOM 749 OG1 THR A 51 -4.089 10.372 -2.138 1.00 10.00 O ATOM 750 CG2 THR A 51 -4.076 8.273 -1.122 1.00 10.00 C ATOM 0 H THR A 51 -4.734 7.116 -3.924 1.00 10.00 H new ATOM 0 HA THR A 51 -3.373 9.457 -4.271 1.00 10.00 H new ATOM 0 HB THR A 51 -5.373 8.764 -2.770 1.00 10.00 H new ATOM 0 HG1 THR A 51 -4.695 10.683 -1.434 1.00 10.00 H new ATOM 0 HG21 THR A 51 -4.816 8.560 -0.375 1.00 10.00 H new ATOM 0 HG22 THR A 51 -4.126 7.197 -1.288 1.00 10.00 H new ATOM 0 HG23 THR A 51 -3.080 8.540 -0.768 1.00 10.00 H new ATOM 758 N CYS A 52 -1.671 7.551 -2.220 1.00 10.00 N ATOM 759 CA CYS A 52 -0.342 7.343 -1.669 1.00 10.00 C ATOM 760 C CYS A 52 0.656 7.290 -2.829 1.00 10.00 C ATOM 761 O CYS A 52 0.261 7.146 -3.985 1.00 10.00 O ATOM 762 CB CYS A 52 -0.279 6.083 -0.804 1.00 10.00 C ATOM 763 SG CYS A 52 0.285 6.360 0.915 1.00 10.00 S ATOM 0 H CYS A 52 -2.367 6.865 -1.926 1.00 10.00 H new ATOM 0 HA CYS A 52 -0.086 8.171 -1.008 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -1.269 5.627 -0.778 1.00 10.00 H new ATOM 0 HB3 CYS A 52 0.390 5.366 -1.280 1.00 10.00 H new ATOM 0 HG CYS A 52 0.298 5.229 1.555 1.00 10.00 H new ATOM 768 N HIS A 53 1.928 7.410 -2.478 1.00 10.00 N ATOM 769 CA HIS A 53 2.985 7.376 -3.474 1.00 10.00 C ATOM 770 C HIS A 53 2.968 8.676 -4.282 1.00 10.00 C ATOM 771 O HIS A 53 3.961 9.402 -4.318 1.00 10.00 O ATOM 772 CB HIS A 53 2.863 6.131 -4.354 1.00 10.00 C ATOM 773 CG HIS A 53 2.894 4.832 -3.585 1.00 10.00 C ATOM 774 ND1 HIS A 53 1.880 3.892 -3.659 1.00 10.00 N ATOM 775 CD2 HIS A 53 3.826 4.325 -2.727 1.00 10.00 C ATOM 776 CE1 HIS A 53 2.198 2.871 -2.876 1.00 10.00 C ATOM 777 NE2 HIS A 53 3.404 3.141 -2.299 1.00 10.00 N ATOM 0 H HIS A 53 2.250 7.531 -1.518 1.00 10.00 H new ATOM 0 HA HIS A 53 3.954 7.307 -2.980 1.00 10.00 H new ATOM 0 HB2 HIS A 53 1.931 6.186 -4.917 1.00 10.00 H new ATOM 0 HB3 HIS A 53 3.675 6.131 -5.081 1.00 10.00 H new ATOM 0 HD2 HIS A 53 4.751 4.806 -2.444 1.00 10.00 H new ATOM 0 HE1 HIS A 53 1.606 1.981 -2.722 1.00 10.00 H new ATOM 0 HE2 HIS A 53 3.900 2.534 -1.646 1.00 10.00 H new ATOM 785 N LYS A 54 1.830 8.930 -4.911 1.00 10.00 N ATOM 786 CA LYS A 54 1.671 10.130 -5.716 1.00 10.00 C ATOM 787 C LYS A 54 1.801 11.362 -4.819 1.00 10.00 C ATOM 788 O LYS A 54 0.801 11.983 -4.462 1.00 10.00 O ATOM 789 CB LYS A 54 0.360 10.077 -6.503 1.00 10.00 C ATOM 790 CG LYS A 54 0.480 9.140 -7.706 1.00 10.00 C ATOM 791 CD LYS A 54 -0.633 9.406 -8.722 1.00 10.00 C ATOM 792 CE LYS A 54 -0.505 8.476 -9.931 1.00 10.00 C ATOM 793 NZ LYS A 54 -1.194 9.057 -11.106 1.00 10.00 N ATOM 0 H LYS A 54 1.009 8.326 -4.880 1.00 10.00 H new ATOM 0 HA LYS A 54 2.462 10.195 -6.463 1.00 10.00 H new ATOM 0 HB2 LYS A 54 -0.446 9.737 -5.852 1.00 10.00 H new ATOM 0 HB3 LYS A 54 0.095 11.078 -6.842 1.00 10.00 H new ATOM 0 HG2 LYS A 54 1.451 9.276 -8.182 1.00 10.00 H new ATOM 0 HG3 LYS A 54 0.431 8.104 -7.371 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -1.604 9.262 -8.249 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -0.590 10.444 -9.051 1.00 10.00 H new ATOM 0 HE2 LYS A 54 0.548 8.313 -10.163 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -0.934 7.502 -9.695 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -1.098 8.414 -11.918 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -2.202 9.190 -10.887 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -0.767 9.976 -11.340 1.00 10.00 H new ATOM 807 N SER A 55 3.042 11.680 -4.480 1.00 10.00 N ATOM 808 CA SER A 55 3.316 12.827 -3.631 1.00 10.00 C ATOM 809 C SER A 55 4.815 12.918 -3.342 1.00 10.00 C ATOM 810 O SER A 55 5.421 13.974 -3.515 1.00 10.00 O ATOM 811 CB SER A 55 2.526 12.745 -2.322 1.00 10.00 C ATOM 812 OG SER A 55 1.744 13.913 -2.097 1.00 10.00 O ATOM 0 H SER A 55 3.869 11.163 -4.778 1.00 10.00 H new ATOM 0 HA SER A 55 2.999 13.727 -4.159 1.00 10.00 H new ATOM 0 HB2 SER A 55 1.874 11.872 -2.346 1.00 10.00 H new ATOM 0 HB3 SER A 55 3.216 12.605 -1.490 1.00 10.00 H new ATOM 0 HG SER A 55 1.254 13.821 -1.253 1.00 10.00 H new ATOM 818 N ASN A 56 5.371 11.797 -2.905 1.00 10.00 N ATOM 819 CA ASN A 56 6.788 11.737 -2.590 1.00 10.00 C ATOM 820 C ASN A 56 7.542 11.113 -3.766 1.00 10.00 C ATOM 821 O ASN A 56 8.236 11.812 -4.503 1.00 10.00 O ATOM 822 CB ASN A 56 7.041 10.871 -1.354 1.00 10.00 C ATOM 823 CG ASN A 56 6.465 11.527 -0.097 1.00 10.00 C ATOM 824 OD1 ASN A 56 5.272 11.500 0.157 1.00 10.00 O ATOM 825 ND2 ASN A 56 7.376 12.115 0.672 1.00 10.00 N ATOM 0 H ASN A 56 4.865 10.923 -2.762 1.00 10.00 H new ATOM 0 HA ASN A 56 7.133 12.753 -2.396 1.00 10.00 H new ATOM 0 HB2 ASN A 56 6.590 9.889 -1.495 1.00 10.00 H new ATOM 0 HB3 ASN A 56 8.112 10.714 -1.228 1.00 10.00 H new ATOM 0 HD21 ASN A 56 7.092 12.581 1.534 1.00 10.00 H new ATOM 0 HD22 ASN A 56 8.359 12.100 0.400 1.00 10.00 H new ATOM 832 N ASN A 57 7.379 9.807 -3.906 1.00 10.00 N ATOM 833 CA ASN A 57 8.035 9.081 -4.980 1.00 10.00 C ATOM 834 C ASN A 57 7.663 7.600 -4.892 1.00 10.00 C ATOM 835 O ASN A 57 7.228 7.127 -3.843 1.00 10.00 O ATOM 836 CB ASN A 57 9.558 9.193 -4.871 1.00 10.00 C ATOM 837 CG ASN A 57 10.249 8.116 -5.708 1.00 10.00 C ATOM 838 OD1 ASN A 57 10.521 7.001 -5.037 1.00 10.00 O flip ATOM 839 ND2 ASN A 57 10.516 8.286 -6.886 1.00 10.00 N flip ATOM 0 H ASN A 57 6.802 9.231 -3.293 1.00 10.00 H new ATOM 0 HA ASN A 57 7.708 9.512 -5.926 1.00 10.00 H new ATOM 0 HB2 ASN A 57 9.878 10.180 -5.206 1.00 10.00 H new ATOM 0 HB3 ASN A 57 9.859 9.097 -3.828 1.00 10.00 H new ATOM 0 HD21 ASN A 57 10.279 9.168 -7.341 1.00 10.00 H new ATOM 0 HD22 ASN A 57 10.976 7.546 -7.417 1.00 10.00 H new ATOM 846 N GLY A 58 7.848 6.908 -6.007 1.00 10.00 N ATOM 847 CA GLY A 58 7.537 5.490 -6.069 1.00 10.00 C ATOM 848 C GLY A 58 6.625 5.180 -7.257 1.00 10.00 C ATOM 849 O GLY A 58 6.875 5.636 -8.372 1.00 10.00 O ATOM 0 H GLY A 58 8.210 7.303 -6.875 1.00 10.00 H new ATOM 0 HA2 GLY A 58 8.459 4.915 -6.154 1.00 10.00 H new ATOM 0 HA3 GLY A 58 7.052 5.180 -5.143 1.00 10.00 H new ATOM 853 N PRO A 59 5.558 4.387 -6.971 1.00 10.00 N ATOM 854 CA PRO A 59 4.607 4.010 -8.003 1.00 10.00 C ATOM 855 C PRO A 59 3.686 5.181 -8.354 1.00 10.00 C ATOM 856 O PRO A 59 2.844 5.576 -7.549 1.00 10.00 O ATOM 857 CB PRO A 59 3.859 2.816 -7.433 1.00 10.00 C ATOM 858 CG PRO A 59 4.092 2.857 -5.932 1.00 10.00 C ATOM 859 CD PRO A 59 5.230 3.829 -5.663 1.00 10.00 C ATOM 0 HA PRO A 59 5.090 3.747 -8.944 1.00 10.00 H new ATOM 0 HB2 PRO A 59 2.796 2.874 -7.665 1.00 10.00 H new ATOM 0 HB3 PRO A 59 4.228 1.884 -7.860 1.00 10.00 H new ATOM 0 HG2 PRO A 59 3.187 3.176 -5.414 1.00 10.00 H new ATOM 0 HG3 PRO A 59 4.341 1.864 -5.557 1.00 10.00 H new ATOM 0 HD2 PRO A 59 4.928 4.609 -4.964 1.00 10.00 H new ATOM 0 HD3 PRO A 59 6.088 3.322 -5.222 1.00 10.00 H new ATOM 867 N THR A 60 3.877 5.703 -9.556 1.00 10.00 N ATOM 868 CA THR A 60 3.075 6.820 -10.023 1.00 10.00 C ATOM 869 C THR A 60 2.505 6.524 -11.412 1.00 10.00 C ATOM 870 O THR A 60 1.333 6.785 -11.676 1.00 10.00 O ATOM 871 CB THR A 60 3.944 8.078 -9.979 1.00 10.00 C ATOM 872 OG1 THR A 60 3.018 9.147 -10.153 1.00 10.00 O ATOM 873 CG2 THR A 60 4.874 8.191 -11.190 1.00 10.00 C ATOM 0 H THR A 60 4.576 5.373 -10.221 1.00 10.00 H new ATOM 0 HA THR A 60 2.211 6.982 -9.379 1.00 10.00 H new ATOM 0 HB THR A 60 4.537 8.076 -9.064 1.00 10.00 H new ATOM 0 HG1 THR A 60 3.498 10.001 -10.136 1.00 10.00 H new ATOM 0 HG21 THR A 60 5.468 9.101 -11.109 1.00 10.00 H new ATOM 0 HG22 THR A 60 5.537 7.326 -11.221 1.00 10.00 H new ATOM 0 HG23 THR A 60 4.280 8.226 -12.103 1.00 10.00 H new ATOM 881 N LYS A 61 3.363 5.982 -12.265 1.00 10.00 N ATOM 882 CA LYS A 61 2.960 5.648 -13.620 1.00 10.00 C ATOM 883 C LYS A 61 1.839 4.607 -13.572 1.00 10.00 C ATOM 884 O LYS A 61 0.776 4.860 -13.007 1.00 10.00 O ATOM 885 CB LYS A 61 4.170 5.210 -14.447 1.00 10.00 C ATOM 886 CG LYS A 61 5.291 6.249 -14.371 1.00 10.00 C ATOM 887 CD LYS A 61 5.151 7.287 -15.486 1.00 10.00 C ATOM 888 CE LYS A 61 5.387 8.701 -14.950 1.00 10.00 C ATOM 889 NZ LYS A 61 6.547 9.324 -15.624 1.00 10.00 N ATOM 0 H LYS A 61 4.335 5.766 -12.043 1.00 10.00 H new ATOM 0 HA LYS A 61 2.559 6.527 -14.125 1.00 10.00 H new ATOM 0 HB2 LYS A 61 4.535 4.249 -14.084 1.00 10.00 H new ATOM 0 HB3 LYS A 61 3.872 5.066 -15.486 1.00 10.00 H new ATOM 0 HG2 LYS A 61 5.266 6.746 -13.401 1.00 10.00 H new ATOM 0 HG3 LYS A 61 6.258 5.753 -14.450 1.00 10.00 H new ATOM 0 HD2 LYS A 61 5.865 7.071 -16.281 1.00 10.00 H new ATOM 0 HD3 LYS A 61 4.156 7.222 -15.926 1.00 10.00 H new ATOM 0 HE2 LYS A 61 4.497 9.310 -15.109 1.00 10.00 H new ATOM 0 HE3 LYS A 61 5.560 8.664 -13.875 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 6.693 10.283 -15.248 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 7.398 8.751 -15.451 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 6.367 9.377 -16.647 1.00 10.00 H new ATOM 903 N CYS A 62 2.114 3.459 -14.173 1.00 10.00 N ATOM 904 CA CYS A 62 1.143 2.379 -14.206 1.00 10.00 C ATOM 905 C CYS A 62 1.545 1.338 -13.161 1.00 10.00 C ATOM 906 O CYS A 62 0.943 1.263 -12.090 1.00 10.00 O ATOM 907 CB CYS A 62 1.024 1.767 -15.604 1.00 10.00 C ATOM 908 SG CYS A 62 0.024 0.238 -15.689 1.00 10.00 S ATOM 0 H CYS A 62 2.996 3.253 -14.641 1.00 10.00 H new ATOM 0 HA CYS A 62 0.154 2.770 -13.966 1.00 10.00 H new ATOM 0 HB2 CYS A 62 0.587 2.508 -16.274 1.00 10.00 H new ATOM 0 HB3 CYS A 62 2.025 1.551 -15.977 1.00 10.00 H new ATOM 0 HG CYS A 62 -0.011 -0.190 -16.916 1.00 10.00 H new ATOM 913 N GLY A 63 2.561 0.561 -13.506 1.00 10.00 N ATOM 914 CA GLY A 63 3.051 -0.473 -12.609 1.00 10.00 C ATOM 915 C GLY A 63 3.532 0.130 -11.288 1.00 10.00 C ATOM 916 O GLY A 63 2.792 0.146 -10.304 1.00 10.00 O ATOM 0 H GLY A 63 3.059 0.626 -14.394 1.00 10.00 H new ATOM 0 HA2 GLY A 63 2.259 -1.197 -12.416 1.00 10.00 H new ATOM 0 HA3 GLY A 63 3.869 -1.015 -13.085 1.00 10.00 H new ATOM 920 N GLY A 64 4.765 0.612 -11.307 1.00 10.00 N ATOM 921 CA GLY A 64 5.352 1.214 -10.121 1.00 10.00 C ATOM 922 C GLY A 64 5.526 0.179 -9.009 1.00 10.00 C ATOM 923 O GLY A 64 6.644 -0.073 -8.560 1.00 10.00 O ATOM 0 H GLY A 64 5.375 0.598 -12.125 1.00 10.00 H new ATOM 0 HA2 GLY A 64 6.319 1.650 -10.371 1.00 10.00 H new ATOM 0 HA3 GLY A 64 4.717 2.027 -9.769 1.00 10.00 H new ATOM 927 N CYS A 65 4.406 -0.395 -8.597 1.00 10.00 N ATOM 928 CA CYS A 65 4.421 -1.398 -7.546 1.00 10.00 C ATOM 929 C CYS A 65 4.693 -2.761 -8.186 1.00 10.00 C ATOM 930 O CYS A 65 5.620 -3.464 -7.786 1.00 10.00 O ATOM 931 CB CYS A 65 3.119 -1.396 -6.743 1.00 10.00 C ATOM 932 SG CYS A 65 2.184 0.177 -6.800 1.00 10.00 S ATOM 0 H CYS A 65 3.481 -0.185 -8.972 1.00 10.00 H new ATOM 0 HA CYS A 65 5.212 -1.168 -6.832 1.00 10.00 H new ATOM 0 HB2 CYS A 65 2.479 -2.197 -7.114 1.00 10.00 H new ATOM 0 HB3 CYS A 65 3.350 -1.628 -5.703 1.00 10.00 H new ATOM 0 HG CYS A 65 1.101 0.064 -6.089 1.00 10.00 H new ATOM 937 N HIS A 66 3.871 -3.093 -9.169 1.00 10.00 N ATOM 938 CA HIS A 66 4.011 -4.359 -9.869 1.00 10.00 C ATOM 939 C HIS A 66 5.361 -4.400 -10.589 1.00 10.00 C ATOM 940 O HIS A 66 5.713 -3.468 -11.309 1.00 10.00 O ATOM 941 CB HIS A 66 2.829 -4.592 -10.811 1.00 10.00 C ATOM 942 CG HIS A 66 1.487 -4.618 -10.121 1.00 10.00 C ATOM 943 ND1 HIS A 66 0.879 -5.790 -9.707 1.00 10.00 N ATOM 944 CD2 HIS A 66 0.645 -3.603 -9.772 1.00 10.00 C ATOM 945 CE1 HIS A 66 -0.279 -5.483 -9.139 1.00 10.00 C ATOM 946 NE2 HIS A 66 -0.421 -4.127 -9.181 1.00 10.00 N ATOM 0 H HIS A 66 3.104 -2.507 -9.498 1.00 10.00 H new ATOM 0 HA HIS A 66 3.996 -5.180 -9.152 1.00 10.00 H new ATOM 0 HB2 HIS A 66 2.821 -3.808 -11.568 1.00 10.00 H new ATOM 0 HB3 HIS A 66 2.975 -5.537 -11.333 1.00 10.00 H new ATOM 0 HD2 HIS A 66 0.817 -2.551 -9.947 1.00 10.00 H new ATOM 0 HE1 HIS A 66 -0.985 -6.183 -8.717 1.00 10.00 H new ATOM 0 HE2 HIS A 66 -1.216 -3.602 -8.818 1.00 10.00 H new ATOM 954 N ILE A 67 6.080 -5.490 -10.366 1.00 10.00 N ATOM 955 CA ILE A 67 7.383 -5.665 -10.985 1.00 10.00 C ATOM 956 C ILE A 67 7.208 -6.311 -12.359 1.00 10.00 C ATOM 957 O ILE A 67 7.483 -7.499 -12.531 1.00 10.00 O ATOM 958 CB ILE A 67 8.318 -6.442 -10.055 1.00 10.00 C ATOM 959 CG1 ILE A 67 8.315 -5.840 -8.647 1.00 10.00 C ATOM 960 CG2 ILE A 67 9.728 -6.525 -10.639 1.00 10.00 C ATOM 961 CD1 ILE A 67 9.232 -4.617 -8.572 1.00 10.00 C ATOM 0 H ILE A 67 5.785 -6.260 -9.766 1.00 10.00 H new ATOM 0 HA ILE A 67 7.861 -4.699 -11.146 1.00 10.00 H new ATOM 0 HB ILE A 67 7.945 -7.463 -9.970 1.00 10.00 H new ATOM 0 HG12 ILE A 67 7.300 -5.555 -8.371 1.00 10.00 H new ATOM 0 HG13 ILE A 67 8.642 -6.589 -7.926 1.00 10.00 H new ATOM 0 HG21 ILE A 67 10.372 -7.082 -9.958 1.00 10.00 H new ATOM 0 HG22 ILE A 67 9.693 -7.033 -11.603 1.00 10.00 H new ATOM 0 HG23 ILE A 67 10.126 -5.519 -10.773 1.00 10.00 H new ATOM 0 HD11 ILE A 67 9.212 -4.208 -7.562 1.00 10.00 H new ATOM 0 HD12 ILE A 67 10.251 -4.910 -8.824 1.00 10.00 H new ATOM 0 HD13 ILE A 67 8.887 -3.860 -9.276 1.00 10.00 H new ATOM 973 N LYS A 68 6.753 -5.503 -13.305 1.00 10.00 N ATOM 974 CA LYS A 68 6.538 -5.982 -14.660 1.00 10.00 C ATOM 975 C LYS A 68 7.876 -6.414 -15.262 1.00 10.00 C ATOM 976 O LYS A 68 8.353 -5.810 -16.222 1.00 10.00 O ATOM 977 CB LYS A 68 5.802 -4.928 -15.490 1.00 10.00 C ATOM 978 CG LYS A 68 6.651 -3.665 -15.648 1.00 10.00 C ATOM 979 CD LYS A 68 6.661 -3.190 -17.104 1.00 10.00 C ATOM 980 CE LYS A 68 7.771 -2.164 -17.337 1.00 10.00 C ATOM 981 NZ LYS A 68 7.879 -1.835 -18.776 1.00 10.00 N ATOM 0 H LYS A 68 6.527 -4.519 -13.160 1.00 10.00 H new ATOM 0 HA LYS A 68 5.892 -6.860 -14.656 1.00 10.00 H new ATOM 0 HB2 LYS A 68 5.563 -5.335 -16.472 1.00 10.00 H new ATOM 0 HB3 LYS A 68 4.856 -4.677 -15.010 1.00 10.00 H new ATOM 0 HG2 LYS A 68 6.258 -2.876 -15.007 1.00 10.00 H new ATOM 0 HG3 LYS A 68 7.671 -3.865 -15.320 1.00 10.00 H new ATOM 0 HD2 LYS A 68 6.804 -4.043 -17.768 1.00 10.00 H new ATOM 0 HD3 LYS A 68 5.696 -2.750 -17.354 1.00 10.00 H new ATOM 0 HE2 LYS A 68 7.564 -1.259 -16.766 1.00 10.00 H new ATOM 0 HE3 LYS A 68 8.721 -2.559 -16.976 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 8.637 -1.137 -18.917 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 8.098 -2.698 -19.314 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 6.977 -1.439 -19.110 1.00 10.00 H new