USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 610 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 45 HIS : no HD1:sc= -2.37 X(o=-2.4,f=-2.5) USER MOD Set 1.2: A 47 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 25 CYS SG : rot 3:sc= 0.832 USER MOD Set 2.2: A 32 GLN : amide:sc= 0.353 K(o=1.7,f=-0.063) USER MOD Set 2.3: A 53 TYR OH : rot -52:sc= 0.527 USER MOD Set 3.1: A 10 TYR OH : rot -175:sc= 1.06 USER MOD Set 3.2: A 38 HIS : no HE2:sc= 0.65 K(o=1.7,f=-7.3!) USER MOD Single : A 4 LYS NZ :NH3+ -179:sc= 1.4 (180deg=1.35) USER MOD Single : A 5 ASN : amide:sc= -0.1 X(o=-0.1,f=0) USER MOD Single : A 6 SER OG : rot 1:sc= 1.11 USER MOD Single : A 8 SER OG : rot -26:sc= 0.057 USER MOD Single : A 11 THR OG1 : rot -110:sc= 1.15 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 152:sc= -0.153! (180deg=-1.45!) USER MOD Single : A 17 LYS NZ :NH3+ -173:sc= 2.56 (180deg=2.21) USER MOD Single : A 24 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 179:sc= 1.9 (180deg=1.88) USER MOD Single : A 31 LYS NZ :NH3+ 159:sc= 1.39 (180deg=0.707!) USER MOD Single : A 35 ASN : amide:sc= -5.43! C(o=-5.4!,f=-6.1!) USER MOD Single : A 41 SER OG : rot 127:sc= 1.21 USER MOD Single : A 43 THR OG1 : rot 119:sc= 1.28 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0676 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.396 X(o=0.4,f=-0.045) USER MOD Single : A 59 ASN : amide:sc= -0.58 K(o=-0.58,f=-2.2) USER MOD Single : A 62 SER OG : rot 47:sc= 0.782 USER MOD Single : A 68 LYS NZ :NH3+ -128:sc= 1.45 (180deg=-0.989) USER MOD Single : A 71 LYS NZ :NH3+ -149:sc= 0.799 (180deg=0.461) USER MOD Single : A 77 ASN : amide:sc= 0.569 K(o=0.57,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -177:sc= 1.71 (180deg=1.65) USER MOD Single : A 80 SER OG : rot 66:sc= 1.31 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N LEU A 3 12.728 4.781 -1.957 1.00 0.00 N ATOM 34 CA LEU A 3 11.329 4.517 -1.710 1.00 0.00 C ATOM 35 C LEU A 3 10.542 5.826 -1.662 1.00 0.00 C ATOM 36 O LEU A 3 10.999 6.807 -1.067 1.00 0.00 O ATOM 37 CB LEU A 3 11.120 3.698 -0.428 1.00 0.00 C ATOM 38 CG LEU A 3 11.563 2.223 -0.500 1.00 0.00 C ATOM 39 CD1 LEU A 3 11.151 1.521 0.796 1.00 0.00 C ATOM 40 CD2 LEU A 3 10.973 1.449 -1.689 1.00 0.00 C ATOM 0 HA LEU A 3 10.952 3.915 -2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.663 4.182 0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 3 10.062 3.729 -0.167 1.00 0.00 H new ATOM 0 HG LEU A 3 12.644 2.230 -0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.459 0.476 0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.632 2.010 1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.069 1.576 0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.333 0.420 -1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.885 1.454 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.282 1.923 -2.621 1.00 0.00 H new ATOM 52 N LYS A 4 9.386 5.848 -2.330 1.00 0.00 N ATOM 53 CA LYS A 4 8.700 7.087 -2.677 1.00 0.00 C ATOM 54 C LYS A 4 8.389 7.886 -1.440 1.00 0.00 C ATOM 55 O LYS A 4 7.834 7.383 -0.470 1.00 0.00 O ATOM 56 CB LYS A 4 7.510 6.862 -3.611 1.00 0.00 C ATOM 57 CG LYS A 4 7.830 6.017 -4.852 1.00 0.00 C ATOM 58 CD LYS A 4 9.024 6.591 -5.641 1.00 0.00 C ATOM 59 CE LYS A 4 8.808 6.538 -7.149 1.00 0.00 C ATOM 60 NZ LYS A 4 7.733 7.450 -7.593 1.00 0.00 N ATOM 0 H LYS A 4 8.903 5.006 -2.644 1.00 0.00 H new ATOM 0 HA LYS A 4 9.378 7.701 -3.269 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.711 6.376 -3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.129 7.831 -3.934 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.053 4.994 -4.548 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.954 5.974 -5.499 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.193 7.624 -5.338 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.925 6.033 -5.387 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.736 6.800 -7.656 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.561 5.518 -7.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.611 7.367 -8.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.844 7.196 -7.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.987 8.429 -7.352 1.00 0.00 H new ATOM 74 N ASN A 5 8.832 9.141 -1.468 1.00 0.00 N ATOM 75 CA ASN A 5 9.028 9.919 -0.252 1.00 0.00 C ATOM 76 C ASN A 5 7.689 10.353 0.339 1.00 0.00 C ATOM 77 O ASN A 5 7.663 11.021 1.371 1.00 0.00 O ATOM 78 CB ASN A 5 9.948 11.129 -0.521 1.00 0.00 C ATOM 79 CG ASN A 5 11.370 10.788 -0.981 1.00 0.00 C ATOM 80 OD1 ASN A 5 12.109 11.670 -1.412 1.00 0.00 O ATOM 81 ND2 ASN A 5 11.797 9.537 -0.920 1.00 0.00 N ATOM 0 H ASN A 5 9.063 9.641 -2.326 1.00 0.00 H new ATOM 0 HA ASN A 5 9.521 9.286 0.485 1.00 0.00 H new ATOM 0 HB2 ASN A 5 9.480 11.757 -1.279 1.00 0.00 H new ATOM 0 HB3 ASN A 5 10.012 11.724 0.390 1.00 0.00 H new ATOM 0 HD21 ASN A 5 12.740 9.304 -1.231 1.00 0.00 H new ATOM 0 HD22 ASN A 5 11.183 8.805 -0.562 1.00 0.00 H new ATOM 88 N SER A 6 6.571 10.035 -0.316 1.00 0.00 N ATOM 89 CA SER A 6 5.224 10.199 0.173 1.00 0.00 C ATOM 90 C SER A 6 4.268 9.384 -0.681 1.00 0.00 C ATOM 91 O SER A 6 4.577 9.034 -1.820 1.00 0.00 O ATOM 92 CB SER A 6 4.834 11.653 -0.004 1.00 0.00 C ATOM 93 OG SER A 6 5.557 12.556 0.806 1.00 0.00 O ATOM 0 H SER A 6 6.596 9.634 -1.254 1.00 0.00 H new ATOM 0 HA SER A 6 5.176 9.883 1.215 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.975 11.929 -1.049 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.771 11.760 0.214 1.00 0.00 H new ATOM 0 HG SER A 6 6.209 12.062 1.346 1.00 0.00 H new ATOM 99 N ILE A 7 3.038 9.230 -0.198 1.00 0.00 N ATOM 100 CA ILE A 7 1.953 8.631 -0.951 1.00 0.00 C ATOM 101 C ILE A 7 1.701 9.325 -2.292 1.00 0.00 C ATOM 102 O ILE A 7 1.347 8.661 -3.260 1.00 0.00 O ATOM 103 CB ILE A 7 0.712 8.543 -0.041 1.00 0.00 C ATOM 104 CG1 ILE A 7 0.657 7.149 0.587 1.00 0.00 C ATOM 105 CG2 ILE A 7 -0.638 8.893 -0.681 1.00 0.00 C ATOM 106 CD1 ILE A 7 0.348 5.987 -0.350 1.00 0.00 C ATOM 0 H ILE A 7 2.769 9.524 0.741 1.00 0.00 H new ATOM 0 HA ILE A 7 2.230 7.618 -1.243 1.00 0.00 H new ATOM 0 HB ILE A 7 0.850 9.325 0.705 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.616 6.954 1.066 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.096 7.160 1.375 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.430 8.793 0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.612 9.919 -1.047 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.833 8.216 -1.513 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.338 5.056 0.216 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.627 6.142 -0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.112 5.932 -1.125 1.00 0.00 H new ATOM 118 N SER A 8 1.903 10.641 -2.402 1.00 0.00 N ATOM 119 CA SER A 8 1.665 11.323 -3.678 1.00 0.00 C ATOM 120 C SER A 8 2.732 10.973 -4.721 1.00 0.00 C ATOM 121 O SER A 8 2.475 11.145 -5.913 1.00 0.00 O ATOM 122 CB SER A 8 1.585 12.837 -3.451 1.00 0.00 C ATOM 123 OG SER A 8 1.098 13.491 -4.606 1.00 0.00 O ATOM 0 H SER A 8 2.223 11.244 -1.644 1.00 0.00 H new ATOM 0 HA SER A 8 0.712 10.975 -4.077 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.932 13.049 -2.605 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.572 13.224 -3.197 1.00 0.00 H new ATOM 0 HG SER A 8 1.306 12.953 -5.399 1.00 0.00 H new ATOM 129 N ASP A 9 3.900 10.498 -4.288 1.00 0.00 N ATOM 130 CA ASP A 9 4.984 10.005 -5.133 1.00 0.00 C ATOM 131 C ASP A 9 4.784 8.504 -5.402 1.00 0.00 C ATOM 132 O ASP A 9 5.320 7.956 -6.359 1.00 0.00 O ATOM 133 CB ASP A 9 6.304 10.307 -4.398 1.00 0.00 C ATOM 134 CG ASP A 9 7.600 10.024 -5.165 1.00 0.00 C ATOM 135 OD1 ASP A 9 7.584 9.916 -6.414 1.00 0.00 O ATOM 136 OD2 ASP A 9 8.628 9.907 -4.461 1.00 0.00 O ATOM 0 H ASP A 9 4.125 10.445 -3.294 1.00 0.00 H new ATOM 0 HA ASP A 9 5.001 10.494 -6.107 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.301 11.359 -4.112 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.321 9.726 -3.476 1.00 0.00 H new ATOM 141 N TYR A 10 3.934 7.823 -4.628 1.00 0.00 N ATOM 142 CA TYR A 10 3.639 6.398 -4.748 1.00 0.00 C ATOM 143 C TYR A 10 2.476 6.179 -5.692 1.00 0.00 C ATOM 144 O TYR A 10 1.454 5.607 -5.340 1.00 0.00 O ATOM 145 CB TYR A 10 3.332 5.808 -3.375 1.00 0.00 C ATOM 146 CG TYR A 10 4.480 5.072 -2.771 1.00 0.00 C ATOM 147 CD1 TYR A 10 5.036 4.000 -3.482 1.00 0.00 C ATOM 148 CD2 TYR A 10 4.978 5.437 -1.518 1.00 0.00 C ATOM 149 CE1 TYR A 10 6.147 3.320 -2.976 1.00 0.00 C ATOM 150 CE2 TYR A 10 6.121 4.781 -1.028 1.00 0.00 C ATOM 151 CZ TYR A 10 6.716 3.734 -1.763 1.00 0.00 C ATOM 152 OH TYR A 10 7.851 3.132 -1.337 1.00 0.00 O ATOM 0 H TYR A 10 3.414 8.269 -3.872 1.00 0.00 H new ATOM 0 HA TYR A 10 4.513 5.892 -5.157 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.032 6.612 -2.702 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.482 5.131 -3.462 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.604 3.698 -4.425 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.494 6.208 -0.937 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.564 2.482 -3.515 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.547 5.081 -0.082 1.00 0.00 H new ATOM 0 HH TYR A 10 8.082 3.464 -0.444 1.00 0.00 H new ATOM 162 N THR A 11 2.633 6.672 -6.906 1.00 0.00 N ATOM 163 CA THR A 11 1.728 6.485 -8.018 1.00 0.00 C ATOM 164 C THR A 11 1.092 5.109 -7.976 1.00 0.00 C ATOM 165 O THR A 11 1.718 4.138 -7.571 1.00 0.00 O ATOM 166 CB THR A 11 2.416 6.682 -9.364 1.00 0.00 C ATOM 167 OG1 THR A 11 3.320 5.674 -9.704 1.00 0.00 O ATOM 168 CG2 THR A 11 3.131 8.036 -9.486 1.00 0.00 C ATOM 0 H THR A 11 3.440 7.244 -7.153 1.00 0.00 H new ATOM 0 HA THR A 11 0.955 7.247 -7.917 1.00 0.00 H new ATOM 0 HB THR A 11 1.584 6.644 -10.068 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.233 6.028 -9.670 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.600 8.113 -10.467 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.407 8.842 -9.366 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.894 8.115 -8.712 1.00 0.00 H new ATOM 176 N GLU A 12 -0.148 5.034 -8.431 1.00 0.00 N ATOM 177 CA GLU A 12 -0.947 3.827 -8.287 1.00 0.00 C ATOM 178 C GLU A 12 -0.228 2.549 -8.704 1.00 0.00 C ATOM 179 O GLU A 12 -0.469 1.515 -8.092 1.00 0.00 O ATOM 180 CB GLU A 12 -2.244 3.952 -9.077 1.00 0.00 C ATOM 181 CG GLU A 12 -3.382 3.358 -8.270 1.00 0.00 C ATOM 182 CD GLU A 12 -4.673 3.434 -9.052 1.00 0.00 C ATOM 183 OE1 GLU A 12 -4.932 2.458 -9.782 1.00 0.00 O ATOM 184 OE2 GLU A 12 -5.339 4.491 -8.902 1.00 0.00 O ATOM 0 H GLU A 12 -0.626 5.800 -8.906 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.150 3.739 -7.220 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.448 4.999 -9.299 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.152 3.436 -10.033 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.159 2.320 -8.023 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.488 3.895 -7.327 1.00 0.00 H new ATOM 191 N THR A 13 0.638 2.612 -9.718 1.00 0.00 N ATOM 192 CA THR A 13 1.415 1.456 -10.144 1.00 0.00 C ATOM 193 C THR A 13 2.637 1.260 -9.236 1.00 0.00 C ATOM 194 O THR A 13 2.975 0.122 -8.920 1.00 0.00 O ATOM 195 CB THR A 13 1.838 1.638 -11.612 1.00 0.00 C ATOM 196 OG1 THR A 13 0.749 2.111 -12.385 1.00 0.00 O ATOM 197 CG2 THR A 13 2.346 0.338 -12.242 1.00 0.00 C ATOM 0 H THR A 13 0.816 3.458 -10.259 1.00 0.00 H new ATOM 0 HA THR A 13 0.800 0.559 -10.064 1.00 0.00 H new ATOM 0 HB THR A 13 2.652 2.363 -11.609 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.033 2.224 -13.316 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.631 0.523 -13.278 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.212 -0.022 -11.686 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.557 -0.414 -12.211 1.00 0.00 H new ATOM 205 N GLU A 14 3.308 2.329 -8.793 1.00 0.00 N ATOM 206 CA GLU A 14 4.450 2.194 -7.896 1.00 0.00 C ATOM 207 C GLU A 14 4.027 1.663 -6.516 1.00 0.00 C ATOM 208 O GLU A 14 4.675 0.742 -6.005 1.00 0.00 O ATOM 209 CB GLU A 14 5.201 3.530 -7.839 1.00 0.00 C ATOM 210 CG GLU A 14 5.793 3.832 -9.230 1.00 0.00 C ATOM 211 CD GLU A 14 6.467 5.202 -9.301 1.00 0.00 C ATOM 212 OE1 GLU A 14 5.764 6.217 -9.087 1.00 0.00 O ATOM 213 OE2 GLU A 14 7.688 5.288 -9.543 1.00 0.00 O ATOM 0 H GLU A 14 3.078 3.291 -9.042 1.00 0.00 H new ATOM 0 HA GLU A 14 5.139 1.444 -8.283 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.525 4.329 -7.536 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.995 3.484 -7.094 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.520 3.061 -9.486 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.000 3.783 -9.976 1.00 0.00 H new ATOM 220 N PHE A 15 2.927 2.163 -5.924 1.00 0.00 N ATOM 221 CA PHE A 15 2.425 1.567 -4.692 1.00 0.00 C ATOM 222 C PHE A 15 2.001 0.131 -4.952 1.00 0.00 C ATOM 223 O PHE A 15 2.348 -0.716 -4.146 1.00 0.00 O ATOM 224 CB PHE A 15 1.283 2.371 -4.056 1.00 0.00 C ATOM 225 CG PHE A 15 1.171 2.255 -2.534 1.00 0.00 C ATOM 226 CD1 PHE A 15 2.280 2.551 -1.716 1.00 0.00 C ATOM 227 CD2 PHE A 15 -0.045 1.919 -1.908 1.00 0.00 C ATOM 228 CE1 PHE A 15 2.163 2.580 -0.317 1.00 0.00 C ATOM 229 CE2 PHE A 15 -0.160 1.966 -0.503 1.00 0.00 C ATOM 230 CZ PHE A 15 0.929 2.349 0.303 1.00 0.00 C ATOM 0 H PHE A 15 2.388 2.956 -6.273 1.00 0.00 H new ATOM 0 HA PHE A 15 3.241 1.582 -3.969 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.412 3.422 -4.315 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.341 2.047 -4.499 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.236 2.759 -2.173 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.894 1.624 -2.507 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.035 2.783 0.288 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.099 1.704 -0.038 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.816 2.462 1.371 1.00 0.00 H new ATOM 240 N LYS A 16 1.355 -0.198 -6.082 1.00 0.00 N ATOM 241 CA LYS A 16 1.084 -1.580 -6.438 1.00 0.00 C ATOM 242 C LYS A 16 2.372 -2.352 -6.333 1.00 0.00 C ATOM 243 O LYS A 16 2.319 -3.352 -5.662 1.00 0.00 O ATOM 244 CB LYS A 16 0.617 -1.648 -7.904 1.00 0.00 C ATOM 245 CG LYS A 16 -0.656 -2.458 -8.125 1.00 0.00 C ATOM 246 CD LYS A 16 -1.847 -1.524 -7.911 1.00 0.00 C ATOM 247 CE LYS A 16 -2.249 -0.787 -9.208 1.00 0.00 C ATOM 248 NZ LYS A 16 -3.569 -0.118 -9.115 1.00 0.00 N ATOM 0 H LYS A 16 1.014 0.484 -6.760 1.00 0.00 H new ATOM 0 HA LYS A 16 0.319 -1.988 -5.778 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.455 -0.633 -8.268 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.416 -2.079 -8.507 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.674 -2.875 -9.132 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.700 -3.298 -7.432 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.697 -2.099 -7.543 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.600 -0.793 -7.141 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.488 -0.044 -9.446 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.268 -1.500 -10.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.588 0.703 -9.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.317 -0.787 -9.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.729 0.200 -8.138 1.00 0.00 H new ATOM 262 N LYS A 17 3.513 -1.937 -6.898 1.00 0.00 N ATOM 263 CA LYS A 17 4.684 -2.785 -6.840 1.00 0.00 C ATOM 264 C LYS A 17 5.025 -3.127 -5.390 1.00 0.00 C ATOM 265 O LYS A 17 5.367 -4.279 -5.168 1.00 0.00 O ATOM 266 CB LYS A 17 5.854 -2.135 -7.587 1.00 0.00 C ATOM 267 CG LYS A 17 6.690 -3.117 -8.434 1.00 0.00 C ATOM 268 CD LYS A 17 7.074 -4.489 -7.838 1.00 0.00 C ATOM 269 CE LYS A 17 7.999 -4.426 -6.613 1.00 0.00 C ATOM 270 NZ LYS A 17 8.083 -5.736 -5.935 1.00 0.00 N ATOM 0 H LYS A 17 3.638 -1.048 -7.382 1.00 0.00 H new ATOM 0 HA LYS A 17 4.472 -3.727 -7.345 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.464 -1.352 -8.238 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.508 -1.650 -6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.142 -3.303 -9.358 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.614 -2.609 -8.709 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.161 -5.016 -7.559 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.561 -5.082 -8.612 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.995 -4.110 -6.923 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.630 -3.676 -5.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.617 -5.634 -5.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.124 -6.080 -5.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.567 -6.417 -6.554 1.00 0.00 H new ATOM 284 N ILE A 18 4.924 -2.196 -4.430 1.00 0.00 N ATOM 285 CA ILE A 18 5.112 -2.516 -3.002 1.00 0.00 C ATOM 286 C ILE A 18 4.047 -3.486 -2.477 1.00 0.00 C ATOM 287 O ILE A 18 4.340 -4.500 -1.857 1.00 0.00 O ATOM 288 CB ILE A 18 5.264 -1.223 -2.162 1.00 0.00 C ATOM 289 CG1 ILE A 18 6.532 -1.453 -1.305 1.00 0.00 C ATOM 290 CG2 ILE A 18 4.108 -0.658 -1.311 1.00 0.00 C ATOM 291 CD1 ILE A 18 6.697 -0.494 -0.139 1.00 0.00 C ATOM 0 H ILE A 18 4.713 -1.215 -4.614 1.00 0.00 H new ATOM 0 HA ILE A 18 6.051 -3.059 -2.894 1.00 0.00 H new ATOM 0 HB ILE A 18 5.301 -0.419 -2.897 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.512 -2.472 -0.919 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.408 -1.373 -1.949 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.437 0.251 -0.808 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.260 -0.429 -1.956 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.809 -1.396 -0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.613 -0.733 0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.753 0.528 -0.514 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.844 -0.588 0.533 1.00 0.00 H new ATOM 303 N ILE A 19 2.794 -3.184 -2.764 1.00 0.00 N ATOM 304 CA ILE A 19 1.623 -3.902 -2.273 1.00 0.00 C ATOM 305 C ILE A 19 1.518 -5.327 -2.899 1.00 0.00 C ATOM 306 O ILE A 19 1.041 -6.295 -2.300 1.00 0.00 O ATOM 307 CB ILE A 19 0.424 -2.958 -2.551 1.00 0.00 C ATOM 308 CG1 ILE A 19 0.441 -1.629 -1.758 1.00 0.00 C ATOM 309 CG2 ILE A 19 -0.952 -3.537 -2.296 1.00 0.00 C ATOM 310 CD1 ILE A 19 0.758 -1.744 -0.271 1.00 0.00 C ATOM 0 H ILE A 19 2.550 -2.401 -3.370 1.00 0.00 H new ATOM 0 HA ILE A 19 1.667 -4.120 -1.206 1.00 0.00 H new ATOM 0 HB ILE A 19 0.579 -2.794 -3.617 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.174 -0.965 -2.216 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.533 -1.152 -1.866 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.710 -2.788 -2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.102 -4.411 -2.930 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.035 -3.830 -1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.742 -0.753 0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.013 -2.376 0.212 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.746 -2.186 -0.143 1.00 0.00 H new ATOM 322 N GLU A 20 1.995 -5.498 -4.120 1.00 0.00 N ATOM 323 CA GLU A 20 2.135 -6.725 -4.844 1.00 0.00 C ATOM 324 C GLU A 20 3.345 -7.488 -4.330 1.00 0.00 C ATOM 325 O GLU A 20 3.265 -8.701 -4.198 1.00 0.00 O ATOM 326 CB GLU A 20 2.325 -6.337 -6.309 1.00 0.00 C ATOM 327 CG GLU A 20 1.750 -7.367 -7.258 1.00 0.00 C ATOM 328 CD GLU A 20 2.517 -7.379 -8.584 1.00 0.00 C ATOM 329 OE1 GLU A 20 2.380 -6.395 -9.346 1.00 0.00 O ATOM 330 OE2 GLU A 20 3.266 -8.360 -8.800 1.00 0.00 O ATOM 0 H GLU A 20 2.320 -4.702 -4.669 1.00 0.00 H new ATOM 0 HA GLU A 20 1.265 -7.370 -4.722 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.849 -5.373 -6.491 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.388 -6.212 -6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.794 -8.355 -6.799 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.698 -7.149 -7.444 1.00 0.00 H new ATOM 337 N ASP A 21 4.447 -6.786 -4.037 1.00 0.00 N ATOM 338 CA ASP A 21 5.696 -7.332 -3.478 1.00 0.00 C ATOM 339 C ASP A 21 5.372 -8.321 -2.373 1.00 0.00 C ATOM 340 O ASP A 21 5.760 -9.489 -2.420 1.00 0.00 O ATOM 341 CB ASP A 21 6.582 -6.220 -2.881 1.00 0.00 C ATOM 342 CG ASP A 21 8.013 -6.653 -2.695 1.00 0.00 C ATOM 343 OD1 ASP A 21 8.286 -7.573 -1.904 1.00 0.00 O ATOM 344 OD2 ASP A 21 8.879 -6.064 -3.381 1.00 0.00 O ATOM 0 H ASP A 21 4.497 -5.779 -4.189 1.00 0.00 H new ATOM 0 HA ASP A 21 6.234 -7.819 -4.291 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.553 -5.348 -3.534 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.172 -5.912 -1.919 1.00 0.00 H new ATOM 349 N ILE A 22 4.584 -7.822 -1.425 1.00 0.00 N ATOM 350 CA ILE A 22 4.104 -8.529 -0.266 1.00 0.00 C ATOM 351 C ILE A 22 3.164 -9.664 -0.631 1.00 0.00 C ATOM 352 O ILE A 22 3.446 -10.809 -0.293 1.00 0.00 O ATOM 353 CB ILE A 22 3.474 -7.530 0.714 1.00 0.00 C ATOM 354 CG1 ILE A 22 2.389 -6.571 0.207 1.00 0.00 C ATOM 355 CG2 ILE A 22 4.621 -6.676 1.265 1.00 0.00 C ATOM 356 CD1 ILE A 22 1.951 -5.448 1.154 1.00 0.00 C ATOM 0 H ILE A 22 4.251 -6.858 -1.457 1.00 0.00 H new ATOM 0 HA ILE A 22 4.950 -9.008 0.228 1.00 0.00 H new ATOM 0 HB ILE A 22 2.942 -8.155 1.431 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.746 -6.115 -0.716 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.509 -7.161 -0.048 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.225 -5.946 1.970 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.341 -7.318 1.773 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.115 -6.156 0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.181 -4.845 0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.552 -5.881 2.071 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.808 -4.818 1.393 1.00 0.00 H new ATOM 368 N ILE A 23 2.050 -9.349 -1.289 1.00 0.00 N ATOM 369 CA ILE A 23 1.050 -10.368 -1.638 1.00 0.00 C ATOM 370 C ILE A 23 1.647 -11.553 -2.434 1.00 0.00 C ATOM 371 O ILE A 23 1.202 -12.684 -2.247 1.00 0.00 O ATOM 372 CB ILE A 23 -0.146 -9.702 -2.352 1.00 0.00 C ATOM 373 CG1 ILE A 23 -0.938 -8.744 -1.423 1.00 0.00 C ATOM 374 CG2 ILE A 23 -1.138 -10.712 -2.957 1.00 0.00 C ATOM 375 CD1 ILE A 23 -1.603 -9.375 -0.191 1.00 0.00 C ATOM 0 H ILE A 23 1.814 -8.404 -1.592 1.00 0.00 H new ATOM 0 HA ILE A 23 0.686 -10.817 -0.714 1.00 0.00 H new ATOM 0 HB ILE A 23 0.314 -9.133 -3.160 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.259 -7.963 -1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.712 -8.257 -2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.953 -10.175 -3.443 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.624 -11.332 -3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.541 -11.345 -2.166 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.124 -8.604 0.376 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.316 -10.134 -0.511 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.841 -9.835 0.438 1.00 0.00 H new ATOM 387 N ASN A 24 2.638 -11.340 -3.307 1.00 0.00 N ATOM 388 CA ASN A 24 3.407 -12.355 -3.982 1.00 0.00 C ATOM 389 C ASN A 24 4.303 -13.087 -2.991 1.00 0.00 C ATOM 390 O ASN A 24 4.332 -14.314 -2.956 1.00 0.00 O ATOM 391 CB ASN A 24 4.333 -11.580 -4.908 1.00 0.00 C ATOM 392 CG ASN A 24 3.841 -11.332 -6.298 1.00 0.00 C ATOM 393 OD1 ASN A 24 3.607 -12.235 -7.094 1.00 0.00 O ATOM 394 ND2 ASN A 24 3.795 -10.059 -6.580 1.00 0.00 N ATOM 0 H ASN A 24 2.930 -10.398 -3.566 1.00 0.00 H new ATOM 0 HA ASN A 24 2.757 -13.073 -4.482 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.547 -10.616 -4.446 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.278 -12.119 -4.973 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.550 -9.754 -7.522 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.004 -9.369 -5.859 1.00 0.00 H new ATOM 401 N CYS A 25 5.094 -12.270 -2.288 1.00 0.00 N ATOM 402 CA CYS A 25 6.165 -12.545 -1.327 1.00 0.00 C ATOM 403 C CYS A 25 7.500 -12.587 -2.076 1.00 0.00 C ATOM 404 O CYS A 25 8.158 -13.627 -2.153 1.00 0.00 O ATOM 405 CB CYS A 25 5.945 -13.815 -0.485 1.00 0.00 C ATOM 406 SG CYS A 25 4.488 -13.659 0.583 1.00 0.00 S ATOM 0 H CYS A 25 4.980 -11.262 -2.396 1.00 0.00 H new ATOM 0 HA CYS A 25 6.168 -11.735 -0.598 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.824 -14.674 -1.145 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.827 -14.005 0.126 1.00 0.00 H new ATOM 0 HG CYS A 25 3.909 -12.516 0.363 1.00 0.00 H new ATOM 411 N GLU A 26 7.918 -11.457 -2.649 1.00 0.00 N ATOM 412 CA GLU A 26 9.126 -11.271 -3.412 1.00 0.00 C ATOM 413 C GLU A 26 10.384 -11.263 -2.518 1.00 0.00 C ATOM 414 O GLU A 26 11.184 -10.326 -2.541 1.00 0.00 O ATOM 415 CB GLU A 26 8.950 -9.986 -4.240 1.00 0.00 C ATOM 416 CG GLU A 26 9.964 -9.869 -5.376 1.00 0.00 C ATOM 417 CD GLU A 26 10.190 -8.405 -5.787 1.00 0.00 C ATOM 418 OE1 GLU A 26 11.063 -7.743 -5.177 1.00 0.00 O ATOM 419 OE2 GLU A 26 9.469 -7.910 -6.686 1.00 0.00 O ATOM 0 H GLU A 26 7.375 -10.596 -2.580 1.00 0.00 H new ATOM 0 HA GLU A 26 9.289 -12.112 -4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.942 -9.962 -4.655 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.045 -9.121 -3.584 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.911 -10.310 -5.065 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.614 -10.439 -6.237 1.00 0.00 H new ATOM 426 N GLY A 27 10.593 -12.304 -1.716 1.00 0.00 N ATOM 427 CA GLY A 27 11.807 -12.441 -0.923 1.00 0.00 C ATOM 428 C GLY A 27 11.696 -13.422 0.233 1.00 0.00 C ATOM 429 O GLY A 27 12.115 -14.568 0.096 1.00 0.00 O ATOM 0 H GLY A 27 9.930 -13.070 -1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.619 -12.759 -1.577 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.081 -11.463 -0.528 1.00 0.00 H new ATOM 433 N ASP A 28 11.237 -12.947 1.391 1.00 0.00 N ATOM 434 CA ASP A 28 11.401 -13.493 2.704 1.00 0.00 C ATOM 435 C ASP A 28 10.363 -12.760 3.560 1.00 0.00 C ATOM 436 O ASP A 28 9.808 -11.727 3.167 1.00 0.00 O ATOM 437 CB ASP A 28 12.819 -13.152 3.193 1.00 0.00 C ATOM 438 CG ASP A 28 13.048 -13.620 4.629 1.00 0.00 C ATOM 439 OD1 ASP A 28 12.739 -14.798 4.893 1.00 0.00 O ATOM 440 OD2 ASP A 28 13.433 -12.772 5.462 1.00 0.00 O ATOM 0 H ASP A 28 10.690 -12.086 1.416 1.00 0.00 H new ATOM 0 HA ASP A 28 11.271 -14.574 2.745 1.00 0.00 H new ATOM 0 HB2 ASP A 28 13.553 -13.619 2.536 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.976 -12.075 3.132 1.00 0.00 H new ATOM 445 N GLU A 29 10.172 -13.274 4.753 1.00 0.00 N ATOM 446 CA GLU A 29 9.455 -12.688 5.884 1.00 0.00 C ATOM 447 C GLU A 29 9.902 -11.246 6.096 1.00 0.00 C ATOM 448 O GLU A 29 9.047 -10.358 6.135 1.00 0.00 O ATOM 449 CB GLU A 29 9.654 -13.536 7.158 1.00 0.00 C ATOM 450 CG GLU A 29 8.994 -14.927 7.073 1.00 0.00 C ATOM 451 CD GLU A 29 9.154 -15.793 8.339 1.00 0.00 C ATOM 452 OE1 GLU A 29 9.496 -15.249 9.416 1.00 0.00 O ATOM 453 OE2 GLU A 29 8.898 -17.016 8.232 1.00 0.00 O ATOM 0 H GLU A 29 10.544 -14.195 4.987 1.00 0.00 H new ATOM 0 HA GLU A 29 8.388 -12.683 5.661 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.721 -13.658 7.342 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.243 -12.998 8.012 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.931 -14.798 6.869 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.418 -15.465 6.225 1.00 0.00 H new ATOM 460 N LYS A 30 11.208 -10.939 6.151 1.00 0.00 N ATOM 461 CA LYS A 30 11.674 -9.607 6.268 1.00 0.00 C ATOM 462 C LYS A 30 11.194 -8.683 5.217 1.00 0.00 C ATOM 463 O LYS A 30 10.940 -7.547 5.554 1.00 0.00 O ATOM 464 CB LYS A 30 13.187 -9.706 6.242 1.00 0.00 C ATOM 465 CG LYS A 30 13.621 -10.285 7.597 1.00 0.00 C ATOM 466 CD LYS A 30 13.277 -9.356 8.777 1.00 0.00 C ATOM 467 CE LYS A 30 13.673 -7.924 8.417 1.00 0.00 C ATOM 468 NZ LYS A 30 12.560 -6.992 8.097 1.00 0.00 N ATOM 0 H LYS A 30 11.952 -11.636 6.113 1.00 0.00 H new ATOM 0 HA LYS A 30 11.283 -9.174 7.189 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.518 -10.347 5.425 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.635 -8.726 6.080 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.138 -11.250 7.747 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.696 -10.465 7.583 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.211 -9.407 8.998 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.804 -9.678 9.675 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.240 -7.507 9.249 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.345 -7.960 7.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.946 -6.050 7.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.038 -7.346 7.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.916 -6.928 8.911 1.00 0.00 H new ATOM 482 N LYS A 31 11.083 -9.141 3.993 1.00 0.00 N ATOM 483 CA LYS A 31 10.725 -8.327 2.884 1.00 0.00 C ATOM 484 C LYS A 31 9.275 -7.858 3.050 1.00 0.00 C ATOM 485 O LYS A 31 8.997 -6.694 2.771 1.00 0.00 O ATOM 486 CB LYS A 31 11.003 -9.188 1.654 1.00 0.00 C ATOM 487 CG LYS A 31 11.651 -8.434 0.497 1.00 0.00 C ATOM 488 CD LYS A 31 10.908 -7.179 0.022 1.00 0.00 C ATOM 489 CE LYS A 31 11.415 -6.706 -1.352 1.00 0.00 C ATOM 490 NZ LYS A 31 10.971 -7.599 -2.439 1.00 0.00 N ATOM 0 H LYS A 31 11.246 -10.117 3.747 1.00 0.00 H new ATOM 0 HA LYS A 31 11.295 -7.402 2.792 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.651 -10.015 1.942 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.065 -9.623 1.309 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.659 -8.146 0.794 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.750 -9.116 -0.347 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.840 -7.388 -0.036 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.037 -6.381 0.753 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.056 -5.695 -1.543 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.504 -6.661 -1.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.012 -7.090 -3.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.594 -8.431 -2.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.994 -7.907 -2.258 1.00 0.00 H new ATOM 504 N GLN A 32 8.371 -8.708 3.563 1.00 0.00 N ATOM 505 CA GLN A 32 7.079 -8.247 4.042 1.00 0.00 C ATOM 506 C GLN A 32 7.229 -7.268 5.193 1.00 0.00 C ATOM 507 O GLN A 32 6.656 -6.196 5.099 1.00 0.00 O ATOM 508 CB GLN A 32 6.175 -9.386 4.520 1.00 0.00 C ATOM 509 CG GLN A 32 5.885 -10.448 3.461 1.00 0.00 C ATOM 510 CD GLN A 32 4.582 -11.190 3.789 1.00 0.00 C ATOM 511 OE1 GLN A 32 3.579 -10.602 4.192 1.00 0.00 O ATOM 512 NE2 GLN A 32 4.571 -12.505 3.665 1.00 0.00 N ATOM 0 H GLN A 32 8.520 -9.713 3.652 1.00 0.00 H new ATOM 0 HA GLN A 32 6.617 -7.763 3.181 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.640 -9.866 5.381 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.230 -8.964 4.863 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.807 -9.980 2.480 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.712 -11.157 3.412 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.402 -12.993 3.331 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.731 -13.033 3.903 1.00 0.00 H new ATOM 521 N ASP A 33 7.931 -7.616 6.274 1.00 0.00 N ATOM 522 CA ASP A 33 8.088 -6.741 7.460 1.00 0.00 C ATOM 523 C ASP A 33 8.590 -5.346 7.087 1.00 0.00 C ATOM 524 O ASP A 33 8.123 -4.325 7.585 1.00 0.00 O ATOM 525 CB ASP A 33 9.101 -7.405 8.392 1.00 0.00 C ATOM 526 CG ASP A 33 9.411 -6.663 9.692 1.00 0.00 C ATOM 527 OD1 ASP A 33 8.471 -6.367 10.456 1.00 0.00 O ATOM 528 OD2 ASP A 33 10.634 -6.523 9.952 1.00 0.00 O ATOM 0 H ASP A 33 8.411 -8.512 6.361 1.00 0.00 H new ATOM 0 HA ASP A 33 7.116 -6.618 7.937 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.733 -8.399 8.645 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.033 -7.540 7.844 1.00 0.00 H new ATOM 533 N ASP A 34 9.506 -5.324 6.131 1.00 0.00 N ATOM 534 CA ASP A 34 10.229 -4.190 5.633 1.00 0.00 C ATOM 535 C ASP A 34 9.259 -3.304 4.841 1.00 0.00 C ATOM 536 O ASP A 34 9.235 -2.085 5.003 1.00 0.00 O ATOM 537 CB ASP A 34 11.370 -4.718 4.735 1.00 0.00 C ATOM 538 CG ASP A 34 12.658 -5.164 5.456 1.00 0.00 C ATOM 539 OD1 ASP A 34 12.904 -4.763 6.617 1.00 0.00 O ATOM 540 OD2 ASP A 34 13.402 -5.992 4.880 1.00 0.00 O ATOM 0 H ASP A 34 9.778 -6.181 5.649 1.00 0.00 H new ATOM 0 HA ASP A 34 10.657 -3.594 6.439 1.00 0.00 H new ATOM 0 HB2 ASP A 34 10.990 -5.563 4.161 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.631 -3.938 4.020 1.00 0.00 H new ATOM 545 N ASN A 35 8.408 -3.919 4.006 1.00 0.00 N ATOM 546 CA ASN A 35 7.239 -3.258 3.426 1.00 0.00 C ATOM 547 C ASN A 35 6.281 -2.796 4.509 1.00 0.00 C ATOM 548 O ASN A 35 5.625 -1.786 4.320 1.00 0.00 O ATOM 549 CB ASN A 35 6.457 -4.203 2.493 1.00 0.00 C ATOM 550 CG ASN A 35 5.084 -3.625 2.136 1.00 0.00 C ATOM 551 OD1 ASN A 35 4.917 -2.969 1.121 1.00 0.00 O ATOM 552 ND2 ASN A 35 4.066 -3.856 2.956 1.00 0.00 N ATOM 0 H ASN A 35 8.515 -4.891 3.716 1.00 0.00 H new ATOM 0 HA ASN A 35 7.619 -2.407 2.861 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.030 -4.373 1.582 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.331 -5.172 2.976 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.141 -3.485 2.738 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.208 -4.405 3.804 1.00 0.00 H new ATOM 559 N LEU A 36 6.063 -3.579 5.558 1.00 0.00 N ATOM 560 CA LEU A 36 4.935 -3.438 6.447 1.00 0.00 C ATOM 561 C LEU A 36 5.056 -2.171 7.270 1.00 0.00 C ATOM 562 O LEU A 36 4.089 -1.418 7.360 1.00 0.00 O ATOM 563 CB LEU A 36 4.778 -4.767 7.211 1.00 0.00 C ATOM 564 CG LEU A 36 3.826 -5.731 6.489 1.00 0.00 C ATOM 565 CD1 LEU A 36 4.008 -7.169 6.993 1.00 0.00 C ATOM 566 CD2 LEU A 36 2.359 -5.337 6.668 1.00 0.00 C ATOM 0 H LEU A 36 6.685 -4.346 5.813 1.00 0.00 H new ATOM 0 HA LEU A 36 3.992 -3.284 5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.754 -5.238 7.325 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.401 -4.567 8.214 1.00 0.00 H new ATOM 0 HG LEU A 36 4.081 -5.671 5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.321 -7.830 6.464 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.033 -7.491 6.811 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.799 -7.209 8.062 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.724 -6.048 6.140 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.107 -5.344 7.728 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.199 -4.338 6.264 1.00 0.00 H new ATOM 578 N GLU A 37 6.268 -1.866 7.713 1.00 0.00 N ATOM 579 CA GLU A 37 6.645 -0.533 8.190 1.00 0.00 C ATOM 580 C GLU A 37 6.280 0.483 7.125 1.00 0.00 C ATOM 581 O GLU A 37 5.572 1.437 7.413 1.00 0.00 O ATOM 582 CB GLU A 37 8.153 -0.472 8.514 1.00 0.00 C ATOM 583 CG GLU A 37 8.645 0.859 9.129 1.00 0.00 C ATOM 584 CD GLU A 37 8.728 2.091 8.197 1.00 0.00 C ATOM 585 OE1 GLU A 37 9.058 1.957 6.997 1.00 0.00 O ATOM 586 OE2 GLU A 37 8.501 3.213 8.710 1.00 0.00 O ATOM 0 H GLU A 37 7.030 -2.543 7.754 1.00 0.00 H new ATOM 0 HA GLU A 37 6.106 -0.308 9.110 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.392 -1.282 9.203 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.712 -0.658 7.597 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.985 1.110 9.959 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.636 0.689 9.550 1.00 0.00 H new ATOM 593 N HIS A 38 6.723 0.268 5.894 1.00 0.00 N ATOM 594 CA HIS A 38 6.611 1.247 4.837 1.00 0.00 C ATOM 595 C HIS A 38 5.160 1.600 4.479 1.00 0.00 C ATOM 596 O HIS A 38 4.813 2.767 4.347 1.00 0.00 O ATOM 597 CB HIS A 38 7.393 0.743 3.627 1.00 0.00 C ATOM 598 CG HIS A 38 7.805 1.911 2.810 1.00 0.00 C ATOM 599 ND1 HIS A 38 8.694 2.869 3.238 1.00 0.00 N ATOM 600 CD2 HIS A 38 7.210 2.328 1.656 1.00 0.00 C ATOM 601 CE1 HIS A 38 8.662 3.859 2.338 1.00 0.00 C ATOM 602 NE2 HIS A 38 7.806 3.558 1.347 1.00 0.00 N ATOM 0 H HIS A 38 7.173 -0.600 5.605 1.00 0.00 H new ATOM 0 HA HIS A 38 7.039 2.185 5.192 1.00 0.00 H new ATOM 0 HB2 HIS A 38 8.268 0.180 3.950 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.778 0.065 3.035 1.00 0.00 H new ATOM 0 HD1 HIS A 38 9.268 2.832 4.080 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.440 1.817 1.097 1.00 0.00 H new ATOM 0 HE1 HIS A 38 9.241 4.769 2.399 1.00 0.00 H new ATOM 610 N PHE A 39 4.304 0.599 4.319 1.00 0.00 N ATOM 611 CA PHE A 39 2.853 0.677 4.160 1.00 0.00 C ATOM 612 C PHE A 39 2.172 1.339 5.371 1.00 0.00 C ATOM 613 O PHE A 39 1.071 1.866 5.212 1.00 0.00 O ATOM 614 CB PHE A 39 2.376 -0.767 3.977 1.00 0.00 C ATOM 615 CG PHE A 39 0.886 -0.893 3.784 1.00 0.00 C ATOM 616 CD1 PHE A 39 0.318 -0.337 2.631 1.00 0.00 C ATOM 617 CD2 PHE A 39 0.085 -1.605 4.692 1.00 0.00 C ATOM 618 CE1 PHE A 39 -1.033 -0.551 2.325 1.00 0.00 C ATOM 619 CE2 PHE A 39 -1.272 -1.814 4.391 1.00 0.00 C ATOM 620 CZ PHE A 39 -1.832 -1.278 3.224 1.00 0.00 C ATOM 0 H PHE A 39 4.630 -0.367 4.295 1.00 0.00 H new ATOM 0 HA PHE A 39 2.590 1.300 3.305 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.883 -1.201 3.115 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.671 -1.351 4.849 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.927 0.263 1.971 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.507 -1.987 5.610 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.455 -0.162 1.410 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.888 -2.392 5.064 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.881 -1.424 3.015 1.00 0.00 H new ATOM 630 N ILE A 40 2.769 1.364 6.568 1.00 0.00 N ATOM 631 CA ILE A 40 2.354 2.371 7.553 1.00 0.00 C ATOM 632 C ILE A 40 2.892 3.710 7.064 1.00 0.00 C ATOM 633 O ILE A 40 2.126 4.641 6.856 1.00 0.00 O ATOM 634 CB ILE A 40 2.816 2.079 9.017 1.00 0.00 C ATOM 635 CG1 ILE A 40 1.827 1.137 9.724 1.00 0.00 C ATOM 636 CG2 ILE A 40 2.881 3.341 9.908 1.00 0.00 C ATOM 637 CD1 ILE A 40 2.056 -0.284 9.256 1.00 0.00 C ATOM 0 H ILE A 40 3.508 0.730 6.870 1.00 0.00 H new ATOM 0 HA ILE A 40 1.266 2.364 7.617 1.00 0.00 H new ATOM 0 HB ILE A 40 3.810 1.646 8.907 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.958 1.200 10.804 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.803 1.441 9.509 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.209 3.063 10.910 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.587 4.053 9.480 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.893 3.798 9.964 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.354 -0.950 9.758 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.903 -0.341 8.178 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.076 -0.586 9.494 1.00 0.00 H new ATOM 649 N SER A 41 4.206 3.783 6.885 1.00 0.00 N ATOM 650 CA SER A 41 4.980 4.989 6.868 1.00 0.00 C ATOM 651 C SER A 41 4.523 6.043 5.849 1.00 0.00 C ATOM 652 O SER A 41 4.406 7.219 6.202 1.00 0.00 O ATOM 653 CB SER A 41 6.466 4.635 6.713 1.00 0.00 C ATOM 654 OG SER A 41 7.268 5.251 7.698 1.00 0.00 O ATOM 0 H SER A 41 4.777 2.950 6.741 1.00 0.00 H new ATOM 0 HA SER A 41 4.814 5.480 7.827 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.588 3.553 6.772 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.809 4.941 5.725 1.00 0.00 H new ATOM 0 HG SER A 41 7.806 4.571 8.154 1.00 0.00 H new ATOM 660 N VAL A 42 4.317 5.689 4.571 1.00 0.00 N ATOM 661 CA VAL A 42 3.924 6.617 3.561 1.00 0.00 C ATOM 662 C VAL A 42 2.456 7.002 3.664 1.00 0.00 C ATOM 663 O VAL A 42 2.104 8.127 3.293 1.00 0.00 O ATOM 664 CB VAL A 42 4.274 6.028 2.214 1.00 0.00 C ATOM 665 CG1 VAL A 42 5.607 6.593 1.768 1.00 0.00 C ATOM 666 CG2 VAL A 42 4.258 4.522 1.985 1.00 0.00 C ATOM 0 H VAL A 42 4.426 4.734 4.231 1.00 0.00 H new ATOM 0 HA VAL A 42 4.468 7.552 3.698 1.00 0.00 H new ATOM 0 HB VAL A 42 3.416 6.332 1.614 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.872 6.176 0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.535 7.678 1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.375 6.332 2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.539 4.308 0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.967 4.044 2.661 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.257 4.135 2.176 1.00 0.00 H new ATOM 676 N THR A 43 1.599 6.064 4.059 1.00 0.00 N ATOM 677 CA THR A 43 0.182 6.272 4.126 1.00 0.00 C ATOM 678 C THR A 43 -0.206 6.971 5.412 1.00 0.00 C ATOM 679 O THR A 43 0.412 6.898 6.464 1.00 0.00 O ATOM 680 CB THR A 43 -0.574 4.938 3.966 1.00 0.00 C ATOM 681 OG1 THR A 43 0.286 3.840 3.725 1.00 0.00 O ATOM 682 CG2 THR A 43 -1.414 4.924 2.704 1.00 0.00 C ATOM 0 H THR A 43 1.889 5.128 4.343 1.00 0.00 H new ATOM 0 HA THR A 43 -0.104 6.922 3.299 1.00 0.00 H new ATOM 0 HB THR A 43 -1.137 4.855 4.896 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.191 3.185 4.448 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.933 3.969 2.623 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.145 5.732 2.744 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.769 5.061 1.836 1.00 0.00 H new ATOM 690 N GLU A 44 -1.347 7.619 5.309 1.00 0.00 N ATOM 691 CA GLU A 44 -2.045 8.287 6.339 1.00 0.00 C ATOM 692 C GLU A 44 -3.141 7.365 6.897 1.00 0.00 C ATOM 693 O GLU A 44 -3.865 7.762 7.804 1.00 0.00 O ATOM 694 CB GLU A 44 -2.530 9.667 5.854 1.00 0.00 C ATOM 695 CG GLU A 44 -1.446 10.504 5.131 1.00 0.00 C ATOM 696 CD GLU A 44 -1.451 10.340 3.599 1.00 0.00 C ATOM 697 OE1 GLU A 44 -1.712 9.226 3.088 1.00 0.00 O ATOM 698 OE2 GLU A 44 -1.434 11.372 2.888 1.00 0.00 O ATOM 0 H GLU A 44 -1.836 7.686 4.416 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.387 8.506 7.180 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.374 9.526 5.179 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.898 10.232 6.711 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.591 11.557 5.375 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.466 10.220 5.514 1.00 0.00 H new ATOM 705 N HIS A 45 -3.285 6.163 6.313 1.00 0.00 N ATOM 706 CA HIS A 45 -4.286 5.155 6.616 1.00 0.00 C ATOM 707 C HIS A 45 -3.971 4.529 7.992 1.00 0.00 C ATOM 708 O HIS A 45 -3.059 3.708 8.081 1.00 0.00 O ATOM 709 CB HIS A 45 -4.344 4.090 5.495 1.00 0.00 C ATOM 710 CG HIS A 45 -5.553 3.188 5.680 1.00 0.00 C ATOM 711 ND1 HIS A 45 -5.779 2.427 6.808 1.00 0.00 N ATOM 712 CD2 HIS A 45 -6.677 3.081 4.890 1.00 0.00 C ATOM 713 CE1 HIS A 45 -7.035 1.958 6.749 1.00 0.00 C ATOM 714 NE2 HIS A 45 -7.617 2.335 5.605 1.00 0.00 N ATOM 0 H HIS A 45 -2.657 5.861 5.568 1.00 0.00 H new ATOM 0 HA HIS A 45 -5.273 5.616 6.664 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.394 4.580 4.522 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.432 3.493 5.505 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.807 3.497 3.902 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.508 1.362 7.515 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.569 2.118 5.310 1.00 0.00 H new ATOM 722 N PRO A 46 -4.724 4.843 9.060 1.00 0.00 N ATOM 723 CA PRO A 46 -4.341 4.559 10.441 1.00 0.00 C ATOM 724 C PRO A 46 -4.195 3.067 10.750 1.00 0.00 C ATOM 725 O PRO A 46 -3.376 2.702 11.587 1.00 0.00 O ATOM 726 CB PRO A 46 -5.422 5.218 11.311 1.00 0.00 C ATOM 727 CG PRO A 46 -6.619 5.407 10.375 1.00 0.00 C ATOM 728 CD PRO A 46 -5.960 5.591 9.022 1.00 0.00 C ATOM 0 HA PRO A 46 -3.348 4.960 10.643 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.682 4.589 12.163 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.079 6.172 11.712 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.283 4.543 10.388 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.218 6.273 10.654 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.607 5.229 8.223 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.769 6.646 8.824 1.00 0.00 H new ATOM 736 N SER A 47 -4.990 2.216 10.102 1.00 0.00 N ATOM 737 CA SER A 47 -5.028 0.780 10.350 1.00 0.00 C ATOM 738 C SER A 47 -3.788 0.028 9.840 1.00 0.00 C ATOM 739 O SER A 47 -3.567 -1.107 10.253 1.00 0.00 O ATOM 740 CB SER A 47 -6.288 0.242 9.670 1.00 0.00 C ATOM 741 OG SER A 47 -7.414 1.054 9.968 1.00 0.00 O ATOM 0 H SER A 47 -5.639 2.515 9.374 1.00 0.00 H new ATOM 0 HA SER A 47 -5.038 0.616 11.428 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.136 0.207 8.591 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.475 -0.780 9.999 1.00 0.00 H new ATOM 0 HG SER A 47 -8.207 0.691 9.521 1.00 0.00 H new ATOM 747 N GLY A 48 -2.981 0.628 8.950 1.00 0.00 N ATOM 748 CA GLY A 48 -1.832 -0.036 8.345 1.00 0.00 C ATOM 749 C GLY A 48 -2.163 -1.452 7.875 1.00 0.00 C ATOM 750 O GLY A 48 -3.111 -1.676 7.117 1.00 0.00 O ATOM 0 H GLY A 48 -3.114 1.589 8.634 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.479 0.553 7.498 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.016 -0.076 9.067 1.00 0.00 H new ATOM 754 N SER A 49 -1.361 -2.390 8.364 1.00 0.00 N ATOM 755 CA SER A 49 -1.317 -3.816 8.065 1.00 0.00 C ATOM 756 C SER A 49 -2.642 -4.568 8.203 1.00 0.00 C ATOM 757 O SER A 49 -2.739 -5.669 7.662 1.00 0.00 O ATOM 758 CB SER A 49 -0.270 -4.464 8.980 1.00 0.00 C ATOM 759 OG SER A 49 0.859 -3.615 9.135 1.00 0.00 O ATOM 0 H SER A 49 -0.650 -2.144 9.053 1.00 0.00 H new ATOM 0 HA SER A 49 -1.063 -3.892 7.008 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.711 -4.672 9.955 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.043 -5.420 8.562 1.00 0.00 H new ATOM 0 HG SER A 49 1.514 -4.046 9.723 1.00 0.00 H new ATOM 765 N ASP A 50 -3.666 -4.009 8.850 1.00 0.00 N ATOM 766 CA ASP A 50 -5.006 -4.558 8.916 1.00 0.00 C ATOM 767 C ASP A 50 -5.510 -4.852 7.504 1.00 0.00 C ATOM 768 O ASP A 50 -6.098 -5.897 7.252 1.00 0.00 O ATOM 769 CB ASP A 50 -5.894 -3.488 9.565 1.00 0.00 C ATOM 770 CG ASP A 50 -5.990 -3.489 11.097 1.00 0.00 C ATOM 771 OD1 ASP A 50 -5.453 -4.419 11.737 1.00 0.00 O ATOM 772 OD2 ASP A 50 -6.624 -2.539 11.617 1.00 0.00 O ATOM 0 H ASP A 50 -3.573 -3.130 9.358 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.023 -5.485 9.490 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.529 -2.510 9.250 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.902 -3.597 9.164 1.00 0.00 H new ATOM 777 N LEU A 51 -5.213 -3.974 6.543 1.00 0.00 N ATOM 778 CA LEU A 51 -5.656 -4.099 5.158 1.00 0.00 C ATOM 779 C LEU A 51 -4.965 -5.248 4.425 1.00 0.00 C ATOM 780 O LEU A 51 -5.392 -5.605 3.330 1.00 0.00 O ATOM 781 CB LEU A 51 -5.343 -2.777 4.452 1.00 0.00 C ATOM 782 CG LEU A 51 -6.383 -1.666 4.678 1.00 0.00 C ATOM 783 CD1 LEU A 51 -6.834 -1.442 6.127 1.00 0.00 C ATOM 784 CD2 LEU A 51 -5.754 -0.377 4.160 1.00 0.00 C ATOM 0 H LEU A 51 -4.647 -3.142 6.712 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.724 -4.318 5.149 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.371 -2.420 4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.258 -2.964 3.382 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.289 -1.973 4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.566 -0.635 6.160 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.284 -2.356 6.514 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.973 -1.175 6.739 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.452 0.449 4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.837 -0.172 4.713 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.522 -0.485 3.100 1.00 0.00 H new ATOM 796 N ILE A 52 -3.901 -5.813 4.991 1.00 0.00 N ATOM 797 CA ILE A 52 -3.158 -6.924 4.415 1.00 0.00 C ATOM 798 C ILE A 52 -3.538 -8.209 5.177 1.00 0.00 C ATOM 799 O ILE A 52 -3.599 -9.273 4.565 1.00 0.00 O ATOM 800 CB ILE A 52 -1.658 -6.588 4.420 1.00 0.00 C ATOM 801 CG1 ILE A 52 -1.330 -5.350 3.552 1.00 0.00 C ATOM 802 CG2 ILE A 52 -0.736 -7.739 3.977 1.00 0.00 C ATOM 803 CD1 ILE A 52 0.008 -4.716 3.942 1.00 0.00 C ATOM 0 H ILE A 52 -3.525 -5.500 5.886 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.414 -7.098 3.370 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.454 -6.383 5.471 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.301 -5.641 2.502 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.125 -4.612 3.657 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.302 -7.408 4.013 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.869 -8.590 4.646 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.987 -8.035 2.959 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.199 -3.850 3.308 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.029 -4.401 4.985 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.808 -5.445 3.812 1.00 0.00 H new ATOM 815 N TYR A 53 -3.816 -8.130 6.490 1.00 0.00 N ATOM 816 CA TYR A 53 -3.896 -9.290 7.370 1.00 0.00 C ATOM 817 C TYR A 53 -5.305 -9.578 7.902 1.00 0.00 C ATOM 818 O TYR A 53 -5.593 -10.734 8.216 1.00 0.00 O ATOM 819 CB TYR A 53 -2.888 -9.097 8.512 1.00 0.00 C ATOM 820 CG TYR A 53 -1.472 -9.481 8.115 1.00 0.00 C ATOM 821 CD1 TYR A 53 -0.629 -8.560 7.464 1.00 0.00 C ATOM 822 CD2 TYR A 53 -1.023 -10.795 8.338 1.00 0.00 C ATOM 823 CE1 TYR A 53 0.634 -8.965 6.989 1.00 0.00 C ATOM 824 CE2 TYR A 53 0.249 -11.197 7.895 1.00 0.00 C ATOM 825 CZ TYR A 53 1.076 -10.294 7.191 1.00 0.00 C ATOM 826 OH TYR A 53 2.286 -10.727 6.736 1.00 0.00 O ATOM 0 H TYR A 53 -3.992 -7.246 6.967 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.646 -10.174 6.783 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.902 -8.055 8.831 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.196 -9.697 9.369 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.952 -7.538 7.328 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.659 -11.500 8.853 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.266 -8.260 6.470 1.00 0.00 H new ATOM 0 HE2 TYR A 53 0.595 -12.200 8.094 1.00 0.00 H new ATOM 0 HH TYR A 53 2.372 -10.514 5.783 1.00 0.00 H new ATOM 836 N TYR A 54 -6.199 -8.586 7.955 1.00 0.00 N ATOM 837 CA TYR A 54 -7.606 -8.733 8.330 1.00 0.00 C ATOM 838 C TYR A 54 -8.497 -8.049 7.270 1.00 0.00 C ATOM 839 O TYR A 54 -9.220 -7.104 7.588 1.00 0.00 O ATOM 840 CB TYR A 54 -7.818 -8.170 9.751 1.00 0.00 C ATOM 841 CG TYR A 54 -6.880 -8.708 10.824 1.00 0.00 C ATOM 842 CD1 TYR A 54 -6.712 -10.095 11.001 1.00 0.00 C ATOM 843 CD2 TYR A 54 -6.149 -7.815 11.631 1.00 0.00 C ATOM 844 CE1 TYR A 54 -5.793 -10.588 11.944 1.00 0.00 C ATOM 845 CE2 TYR A 54 -5.241 -8.297 12.589 1.00 0.00 C ATOM 846 CZ TYR A 54 -5.048 -9.687 12.739 1.00 0.00 C ATOM 847 OH TYR A 54 -4.138 -10.160 13.636 1.00 0.00 O ATOM 0 H TYR A 54 -5.952 -7.623 7.729 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.892 -9.784 8.355 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.711 -7.086 9.712 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.844 -8.378 10.054 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.294 -10.785 10.408 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.287 -6.750 11.513 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.656 -11.653 12.061 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.692 -7.605 13.210 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.713 -9.408 14.099 1.00 0.00 H new ATOM 857 N PRO A 55 -8.431 -8.471 5.994 1.00 0.00 N ATOM 858 CA PRO A 55 -9.002 -7.710 4.888 1.00 0.00 C ATOM 859 C PRO A 55 -10.523 -7.897 4.734 1.00 0.00 C ATOM 860 O PRO A 55 -11.058 -8.966 5.035 1.00 0.00 O ATOM 861 CB PRO A 55 -8.247 -8.255 3.680 1.00 0.00 C ATOM 862 CG PRO A 55 -8.006 -9.711 4.001 1.00 0.00 C ATOM 863 CD PRO A 55 -7.699 -9.631 5.491 1.00 0.00 C ATOM 0 HA PRO A 55 -8.893 -6.635 5.032 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.830 -8.143 2.766 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.308 -7.723 3.527 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.879 -10.330 3.792 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.176 -10.128 3.430 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.012 -10.541 6.003 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.628 -9.521 5.663 1.00 0.00 H new ATOM 871 N GLU A 56 -11.219 -6.888 4.187 1.00 0.00 N ATOM 872 CA GLU A 56 -12.666 -6.850 4.019 1.00 0.00 C ATOM 873 C GLU A 56 -13.061 -6.229 2.672 1.00 0.00 C ATOM 874 O GLU A 56 -12.247 -5.628 1.991 1.00 0.00 O ATOM 875 CB GLU A 56 -13.276 -5.971 5.102 1.00 0.00 C ATOM 876 CG GLU A 56 -12.861 -6.288 6.539 1.00 0.00 C ATOM 877 CD GLU A 56 -14.048 -6.021 7.482 1.00 0.00 C ATOM 878 OE1 GLU A 56 -14.940 -6.901 7.553 1.00 0.00 O ATOM 879 OE2 GLU A 56 -14.123 -4.907 8.050 1.00 0.00 O ATOM 0 H GLU A 56 -10.763 -6.045 3.838 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.026 -7.877 4.074 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.014 -4.934 4.890 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.361 -6.046 5.034 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.546 -7.329 6.618 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.008 -5.674 6.827 1.00 0.00 H new ATOM 886 N GLY A 57 -14.340 -6.251 2.296 1.00 0.00 N ATOM 887 CA GLY A 57 -14.839 -5.309 1.288 1.00 0.00 C ATOM 888 C GLY A 57 -14.336 -5.519 -0.131 1.00 0.00 C ATOM 889 O GLY A 57 -13.973 -4.578 -0.843 1.00 0.00 O ATOM 0 H GLY A 57 -15.039 -6.896 2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.928 -5.363 1.278 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.573 -4.299 1.600 1.00 0.00 H new ATOM 893 N ASN A 58 -14.386 -6.781 -0.541 1.00 0.00 N ATOM 894 CA ASN A 58 -13.815 -7.309 -1.783 1.00 0.00 C ATOM 895 C ASN A 58 -12.289 -7.141 -1.800 1.00 0.00 C ATOM 896 O ASN A 58 -11.656 -7.168 -2.861 1.00 0.00 O ATOM 897 CB ASN A 58 -14.509 -6.722 -3.031 1.00 0.00 C ATOM 898 CG ASN A 58 -14.639 -7.714 -4.157 1.00 0.00 C ATOM 899 OD1 ASN A 58 -15.735 -8.116 -4.531 1.00 0.00 O ATOM 900 ND2 ASN A 58 -13.518 -8.085 -4.714 1.00 0.00 N ATOM 0 H ASN A 58 -14.849 -7.504 0.010 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.010 -8.381 -1.818 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -15.501 -6.365 -2.753 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.945 -5.857 -3.380 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -13.529 -8.738 -5.497 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.631 -7.722 -4.366 1.00 0.00 H new ATOM 907 N ASN A 59 -11.685 -6.923 -0.631 1.00 0.00 N ATOM 908 CA ASN A 59 -10.267 -7.179 -0.413 1.00 0.00 C ATOM 909 C ASN A 59 -10.064 -8.676 -0.253 1.00 0.00 C ATOM 910 O ASN A 59 -9.933 -9.224 0.835 1.00 0.00 O ATOM 911 CB ASN A 59 -9.775 -6.320 0.748 1.00 0.00 C ATOM 912 CG ASN A 59 -8.281 -6.210 0.924 1.00 0.00 C ATOM 913 OD1 ASN A 59 -7.494 -6.477 0.023 1.00 0.00 O ATOM 914 ND2 ASN A 59 -7.910 -5.786 2.121 1.00 0.00 N ATOM 0 H ASN A 59 -12.170 -6.563 0.191 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.653 -6.886 -1.264 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.178 -5.315 0.622 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -10.198 -6.720 1.670 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -6.920 -5.665 2.335 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.614 -5.580 2.830 1.00 0.00 H new ATOM 921 N ASP A 60 -10.154 -9.328 -1.404 1.00 0.00 N ATOM 922 CA ASP A 60 -10.059 -10.764 -1.641 1.00 0.00 C ATOM 923 C ASP A 60 -9.515 -11.005 -3.051 1.00 0.00 C ATOM 924 O ASP A 60 -8.839 -12.001 -3.294 1.00 0.00 O ATOM 925 CB ASP A 60 -11.435 -11.446 -1.484 1.00 0.00 C ATOM 926 CG ASP A 60 -12.392 -11.223 -2.667 1.00 0.00 C ATOM 927 OD1 ASP A 60 -12.600 -10.044 -3.042 1.00 0.00 O ATOM 928 OD2 ASP A 60 -12.945 -12.215 -3.185 1.00 0.00 O ATOM 0 H ASP A 60 -10.309 -8.820 -2.275 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.384 -11.197 -0.903 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.283 -12.517 -1.352 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.909 -11.077 -0.574 1.00 0.00 H new ATOM 933 N GLY A 61 -9.771 -10.075 -3.981 1.00 0.00 N ATOM 934 CA GLY A 61 -9.520 -10.301 -5.393 1.00 0.00 C ATOM 935 C GLY A 61 -8.045 -10.180 -5.768 1.00 0.00 C ATOM 936 O GLY A 61 -7.559 -10.942 -6.605 1.00 0.00 O ATOM 0 H GLY A 61 -10.155 -9.154 -3.768 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.877 -11.294 -5.665 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.097 -9.584 -5.977 1.00 0.00 H new ATOM 940 N SER A 62 -7.337 -9.161 -5.264 1.00 0.00 N ATOM 941 CA SER A 62 -6.020 -8.784 -5.700 1.00 0.00 C ATOM 942 C SER A 62 -5.470 -7.675 -4.783 1.00 0.00 C ATOM 943 O SER A 62 -6.277 -6.992 -4.150 1.00 0.00 O ATOM 944 CB SER A 62 -6.251 -8.204 -7.088 1.00 0.00 C ATOM 945 OG SER A 62 -5.987 -9.174 -8.076 1.00 0.00 O ATOM 0 H SER A 62 -7.693 -8.566 -4.516 1.00 0.00 H new ATOM 0 HA SER A 62 -5.315 -9.615 -5.687 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.280 -7.856 -7.177 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.607 -7.337 -7.239 1.00 0.00 H new ATOM 0 HG SER A 62 -6.426 -10.016 -7.833 1.00 0.00 H new ATOM 951 N PRO A 63 -4.157 -7.363 -4.833 1.00 0.00 N ATOM 952 CA PRO A 63 -3.536 -6.230 -4.121 1.00 0.00 C ATOM 953 C PRO A 63 -4.138 -4.860 -4.484 1.00 0.00 C ATOM 954 O PRO A 63 -3.993 -3.870 -3.771 1.00 0.00 O ATOM 955 CB PRO A 63 -2.044 -6.287 -4.488 1.00 0.00 C ATOM 956 CG PRO A 63 -1.961 -7.163 -5.733 1.00 0.00 C ATOM 957 CD PRO A 63 -3.156 -8.095 -5.599 1.00 0.00 C ATOM 0 HA PRO A 63 -3.713 -6.325 -3.050 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.650 -5.290 -4.684 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.456 -6.708 -3.673 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.017 -6.569 -6.645 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.023 -7.717 -5.771 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.543 -8.375 -6.579 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.875 -9.018 -5.091 1.00 0.00 H new ATOM 965 N GLU A 64 -4.875 -4.804 -5.584 1.00 0.00 N ATOM 966 CA GLU A 64 -5.675 -3.702 -6.069 1.00 0.00 C ATOM 967 C GLU A 64 -6.703 -3.278 -5.040 1.00 0.00 C ATOM 968 O GLU A 64 -7.016 -2.101 -4.912 1.00 0.00 O ATOM 969 CB GLU A 64 -6.412 -4.211 -7.309 1.00 0.00 C ATOM 970 CG GLU A 64 -5.494 -4.235 -8.535 1.00 0.00 C ATOM 971 CD GLU A 64 -5.149 -2.832 -9.054 1.00 0.00 C ATOM 972 OE1 GLU A 64 -5.531 -1.821 -8.423 1.00 0.00 O ATOM 973 OE2 GLU A 64 -4.396 -2.711 -10.041 1.00 0.00 O ATOM 0 H GLU A 64 -4.929 -5.605 -6.213 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.037 -2.845 -6.284 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.795 -5.214 -7.120 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.273 -3.573 -7.510 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.573 -4.759 -8.282 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.975 -4.803 -9.331 1.00 0.00 H new ATOM 980 N ALA A 65 -7.228 -4.237 -4.289 1.00 0.00 N ATOM 981 CA ALA A 65 -8.117 -3.959 -3.189 1.00 0.00 C ATOM 982 C ALA A 65 -7.422 -3.309 -1.999 1.00 0.00 C ATOM 983 O ALA A 65 -8.107 -2.641 -1.237 1.00 0.00 O ATOM 984 CB ALA A 65 -8.832 -5.233 -2.793 1.00 0.00 C ATOM 0 H ALA A 65 -7.043 -5.230 -4.433 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.845 -3.222 -3.528 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.506 -5.028 -1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.406 -5.607 -3.641 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.100 -5.982 -2.491 1.00 0.00 H new ATOM 990 N VAL A 66 -6.096 -3.363 -1.880 1.00 0.00 N ATOM 991 CA VAL A 66 -5.460 -2.433 -0.935 1.00 0.00 C ATOM 992 C VAL A 66 -5.405 -1.047 -1.580 1.00 0.00 C ATOM 993 O VAL A 66 -5.539 -0.041 -0.889 1.00 0.00 O ATOM 994 CB VAL A 66 -4.067 -2.914 -0.520 1.00 0.00 C ATOM 995 CG1 VAL A 66 -3.398 -1.915 0.407 1.00 0.00 C ATOM 996 CG2 VAL A 66 -4.080 -4.309 0.137 1.00 0.00 C ATOM 0 H VAL A 66 -5.473 -3.993 -2.385 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.052 -2.386 -0.021 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.492 -2.995 -1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.410 -2.282 0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.298 -0.956 -0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.004 -1.788 1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.063 -4.593 0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.701 -4.284 1.033 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.485 -5.038 -0.565 1.00 0.00 H new ATOM 1006 N ILE A 67 -5.233 -0.943 -2.901 1.00 0.00 N ATOM 1007 CA ILE A 67 -5.198 0.377 -3.539 1.00 0.00 C ATOM 1008 C ILE A 67 -6.540 1.047 -3.365 1.00 0.00 C ATOM 1009 O ILE A 67 -6.564 2.242 -3.063 1.00 0.00 O ATOM 1010 CB ILE A 67 -4.812 0.315 -5.041 1.00 0.00 C ATOM 1011 CG1 ILE A 67 -3.292 0.429 -5.155 1.00 0.00 C ATOM 1012 CG2 ILE A 67 -5.458 1.370 -5.959 1.00 0.00 C ATOM 1013 CD1 ILE A 67 -2.682 -0.776 -4.453 1.00 0.00 C ATOM 0 H ILE A 67 -5.119 -1.733 -3.536 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.418 0.960 -3.049 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.202 -0.639 -5.396 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.988 0.456 -6.201 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.943 1.355 -4.698 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.111 1.224 -6.982 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.543 1.266 -5.925 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.178 2.367 -5.620 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.595 -0.723 -4.517 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.984 -0.778 -3.406 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.030 -1.691 -4.933 1.00 0.00 H new ATOM 1025 N LYS A 68 -7.612 0.267 -3.544 1.00 0.00 N ATOM 1026 CA LYS A 68 -8.962 0.653 -3.157 1.00 0.00 C ATOM 1027 C LYS A 68 -8.876 1.294 -1.813 1.00 0.00 C ATOM 1028 O LYS A 68 -9.192 2.456 -1.702 1.00 0.00 O ATOM 1029 CB LYS A 68 -9.958 -0.497 -3.023 1.00 0.00 C ATOM 1030 CG LYS A 68 -10.347 -1.129 -4.331 1.00 0.00 C ATOM 1031 CD LYS A 68 -11.628 -1.990 -4.163 1.00 0.00 C ATOM 1032 CE LYS A 68 -11.585 -3.116 -3.093 1.00 0.00 C ATOM 1033 NZ LYS A 68 -11.890 -2.714 -1.693 1.00 0.00 N ATOM 0 H LYS A 68 -7.560 -0.660 -3.967 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.328 1.301 -3.953 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.528 -1.262 -2.376 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.857 -0.129 -2.528 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.519 -0.354 -5.078 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.530 -1.751 -4.698 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.455 -1.323 -3.920 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.859 -2.446 -5.126 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.291 -3.893 -3.386 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.592 -3.565 -3.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.132 -3.046 -1.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.958 -1.678 -1.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.794 -3.137 -1.399 1.00 0.00 H new ATOM 1047 N GLU A 69 -8.410 0.576 -0.819 1.00 0.00 N ATOM 1048 CA GLU A 69 -8.574 0.939 0.546 1.00 0.00 C ATOM 1049 C GLU A 69 -7.736 2.164 0.901 1.00 0.00 C ATOM 1050 O GLU A 69 -8.135 2.943 1.760 1.00 0.00 O ATOM 1051 CB GLU A 69 -8.182 -0.335 1.283 1.00 0.00 C ATOM 1052 CG GLU A 69 -9.407 -1.087 1.842 1.00 0.00 C ATOM 1053 CD GLU A 69 -10.371 -1.595 0.745 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -10.984 -0.785 0.002 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -10.548 -2.822 0.591 1.00 0.00 O ATOM 0 H GLU A 69 -7.896 -0.295 -0.953 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.583 1.255 0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.634 -0.990 0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.507 -0.086 2.101 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.064 -1.935 2.434 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.952 -0.427 2.517 1.00 0.00 H new ATOM 1062 N ILE A 70 -6.628 2.429 0.205 1.00 0.00 N ATOM 1063 CA ILE A 70 -5.794 3.555 0.434 1.00 0.00 C ATOM 1064 C ILE A 70 -6.539 4.710 -0.211 1.00 0.00 C ATOM 1065 O ILE A 70 -6.920 5.651 0.474 1.00 0.00 O ATOM 1066 CB ILE A 70 -4.400 3.379 -0.116 1.00 0.00 C ATOM 1067 CG1 ILE A 70 -3.597 2.321 0.657 1.00 0.00 C ATOM 1068 CG2 ILE A 70 -3.706 4.733 0.014 1.00 0.00 C ATOM 1069 CD1 ILE A 70 -4.179 1.423 1.752 1.00 0.00 C ATOM 0 H ILE A 70 -6.298 1.831 -0.553 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.621 3.722 1.497 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.458 3.037 -1.149 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.179 1.650 -0.094 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.760 2.850 1.113 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.689 4.659 -0.372 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.257 5.481 -0.556 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.675 5.027 1.063 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.399 0.765 2.135 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.564 2.041 2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.989 0.823 1.338 1.00 0.00 H new ATOM 1081 N LYS A 71 -6.715 4.657 -1.543 1.00 0.00 N ATOM 1082 CA LYS A 71 -7.405 5.680 -2.300 1.00 0.00 C ATOM 1083 C LYS A 71 -8.728 6.027 -1.663 1.00 0.00 C ATOM 1084 O LYS A 71 -9.003 7.220 -1.579 1.00 0.00 O ATOM 1085 CB LYS A 71 -7.622 5.241 -3.763 1.00 0.00 C ATOM 1086 CG LYS A 71 -6.318 5.136 -4.566 1.00 0.00 C ATOM 1087 CD LYS A 71 -5.685 6.515 -4.799 1.00 0.00 C ATOM 1088 CE LYS A 71 -6.034 7.133 -6.163 1.00 0.00 C ATOM 1089 NZ LYS A 71 -5.234 6.595 -7.287 1.00 0.00 N ATOM 0 H LYS A 71 -6.372 3.887 -2.118 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.774 6.569 -2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.126 4.275 -3.774 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.286 5.952 -4.254 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.613 4.497 -4.034 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.519 4.660 -5.526 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.010 7.192 -4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.602 6.426 -4.717 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.091 6.963 -6.368 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.889 8.212 -6.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.109 7.333 -8.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.303 6.293 -6.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.727 5.781 -7.706 1.00 0.00 H new ATOM 1103 N GLU A 72 -9.531 5.058 -1.238 1.00 0.00 N ATOM 1104 CA GLU A 72 -10.859 5.346 -0.793 1.00 0.00 C ATOM 1105 C GLU A 72 -10.870 5.815 0.655 1.00 0.00 C ATOM 1106 O GLU A 72 -11.556 6.784 0.950 1.00 0.00 O ATOM 1107 CB GLU A 72 -11.754 4.150 -1.042 1.00 0.00 C ATOM 1108 CG GLU A 72 -13.049 4.551 -1.739 1.00 0.00 C ATOM 1109 CD GLU A 72 -13.834 5.728 -1.126 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -14.597 5.507 -0.162 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -13.695 6.853 -1.665 1.00 0.00 O ATOM 0 H GLU A 72 -9.272 4.072 -1.198 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.261 6.177 -1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.223 3.419 -1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.986 3.665 -0.094 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.814 4.802 -2.773 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.705 3.681 -1.763 1.00 0.00 H new ATOM 1118 N TRP A 73 -10.054 5.250 1.555 1.00 0.00 N ATOM 1119 CA TRP A 73 -9.884 5.846 2.875 1.00 0.00 C ATOM 1120 C TRP A 73 -9.427 7.280 2.725 1.00 0.00 C ATOM 1121 O TRP A 73 -10.071 8.183 3.263 1.00 0.00 O ATOM 1122 CB TRP A 73 -8.929 5.044 3.723 1.00 0.00 C ATOM 1123 CG TRP A 73 -8.858 5.546 5.119 1.00 0.00 C ATOM 1124 CD1 TRP A 73 -9.650 5.152 6.134 1.00 0.00 C ATOM 1125 CD2 TRP A 73 -8.008 6.590 5.647 1.00 0.00 C ATOM 1126 NE1 TRP A 73 -9.318 5.860 7.276 1.00 0.00 N ATOM 1127 CE2 TRP A 73 -8.358 6.816 7.008 1.00 0.00 C ATOM 1128 CE3 TRP A 73 -6.980 7.367 5.090 1.00 0.00 C ATOM 1129 CZ2 TRP A 73 -7.725 7.802 7.777 1.00 0.00 C ATOM 1130 CZ3 TRP A 73 -6.338 8.350 5.852 1.00 0.00 C ATOM 1131 CH2 TRP A 73 -6.714 8.577 7.175 1.00 0.00 C ATOM 0 H TRP A 73 -9.514 4.400 1.394 1.00 0.00 H new ATOM 0 HA TRP A 73 -10.843 5.837 3.393 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.242 4.000 3.730 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -7.935 5.076 3.277 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.423 4.401 6.067 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -9.729 5.697 8.195 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -6.682 7.205 4.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -8.006 7.964 8.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -5.545 8.937 5.412 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -6.226 9.354 7.744 1.00 0.00 H new ATOM 1142 N ARG A 74 -8.347 7.520 1.978 1.00 0.00 N ATOM 1143 CA ARG A 74 -7.832 8.847 1.771 1.00 0.00 C ATOM 1144 C ARG A 74 -8.900 9.729 1.173 1.00 0.00 C ATOM 1145 O ARG A 74 -9.066 10.825 1.692 1.00 0.00 O ATOM 1146 CB ARG A 74 -6.589 8.743 0.890 1.00 0.00 C ATOM 1147 CG ARG A 74 -5.460 8.029 1.640 1.00 0.00 C ATOM 1148 CD ARG A 74 -4.871 8.869 2.778 1.00 0.00 C ATOM 1149 NE ARG A 74 -4.192 10.095 2.332 1.00 0.00 N ATOM 1150 CZ ARG A 74 -4.661 11.348 2.301 1.00 0.00 C ATOM 1151 NH1 ARG A 74 -5.966 11.597 2.398 1.00 0.00 N ATOM 1152 NH2 ARG A 74 -3.817 12.360 2.163 1.00 0.00 N ATOM 0 H ARG A 74 -7.815 6.789 1.505 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.545 9.309 2.715 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.828 8.199 -0.024 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.263 9.739 0.592 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.838 7.091 2.047 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.668 7.775 0.936 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.671 9.140 3.467 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.163 8.258 3.337 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.235 9.974 2.002 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -6.626 10.826 2.498 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.305 12.559 2.372 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.816 12.182 2.081 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.168 13.317 2.139 1.00 0.00 H new ATOM 1166 N ALA A 75 -9.635 9.285 0.157 1.00 0.00 N ATOM 1167 CA ALA A 75 -10.732 10.023 -0.414 1.00 0.00 C ATOM 1168 C ALA A 75 -11.759 10.355 0.653 1.00 0.00 C ATOM 1169 O ALA A 75 -11.971 11.532 0.949 1.00 0.00 O ATOM 1170 CB ALA A 75 -11.344 9.300 -1.614 1.00 0.00 C ATOM 0 H ALA A 75 -9.473 8.384 -0.293 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.344 10.965 -0.801 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.168 9.891 -2.014 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.585 9.167 -2.385 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.716 8.325 -1.300 1.00 0.00 H new ATOM 1176 N ALA A 76 -12.398 9.367 1.258 1.00 0.00 N ATOM 1177 CA ALA A 76 -13.528 9.569 2.131 1.00 0.00 C ATOM 1178 C ALA A 76 -13.156 10.473 3.288 1.00 0.00 C ATOM 1179 O ALA A 76 -13.894 11.419 3.588 1.00 0.00 O ATOM 1180 CB ALA A 76 -14.064 8.216 2.606 1.00 0.00 C ATOM 0 H ALA A 76 -12.136 8.387 1.150 1.00 0.00 H new ATOM 0 HA ALA A 76 -14.325 10.070 1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -14.918 8.374 3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -14.375 7.625 1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -13.281 7.684 3.147 1.00 0.00 H new ATOM 1186 N ASN A 77 -11.965 10.284 3.845 1.00 0.00 N ATOM 1187 CA ASN A 77 -11.558 10.979 5.035 1.00 0.00 C ATOM 1188 C ASN A 77 -11.027 12.359 4.695 1.00 0.00 C ATOM 1189 O ASN A 77 -11.087 13.268 5.518 1.00 0.00 O ATOM 1190 CB ASN A 77 -10.464 10.151 5.694 1.00 0.00 C ATOM 1191 CG ASN A 77 -11.051 9.012 6.509 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -11.344 9.164 7.688 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -11.295 7.882 5.874 1.00 0.00 N ATOM 0 H ASN A 77 -11.263 9.643 3.476 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.408 11.107 5.705 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.799 9.749 4.930 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.860 10.789 6.339 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -11.739 7.106 6.366 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.040 7.784 4.891 1.00 0.00 H new ATOM 1200 N GLY A 78 -10.516 12.555 3.478 1.00 0.00 N ATOM 1201 CA GLY A 78 -9.604 13.671 3.270 1.00 0.00 C ATOM 1202 C GLY A 78 -8.930 13.636 1.915 1.00 0.00 C ATOM 1203 O GLY A 78 -7.705 13.738 1.858 1.00 0.00 O ATOM 0 H GLY A 78 -10.709 11.981 2.657 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.153 14.607 3.373 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.842 13.661 4.050 1.00 0.00 H new ATOM 1207 N LYS A 79 -9.733 13.473 0.852 1.00 0.00 N ATOM 1208 CA LYS A 79 -9.419 13.653 -0.549 1.00 0.00 C ATOM 1209 C LYS A 79 -8.015 14.166 -0.870 1.00 0.00 C ATOM 1210 O LYS A 79 -7.647 15.291 -0.535 1.00 0.00 O ATOM 1211 CB LYS A 79 -10.481 14.550 -1.151 1.00 0.00 C ATOM 1212 CG LYS A 79 -11.890 14.374 -0.550 1.00 0.00 C ATOM 1213 CD LYS A 79 -12.308 15.259 0.649 1.00 0.00 C ATOM 1214 CE LYS A 79 -12.781 14.530 1.927 1.00 0.00 C ATOM 1215 NZ LYS A 79 -13.776 13.454 1.704 1.00 0.00 N ATOM 0 H LYS A 79 -10.704 13.186 0.977 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.419 12.659 -0.996 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.174 15.588 -1.025 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.532 14.361 -2.223 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -12.612 14.540 -1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.989 13.333 -0.242 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.462 15.893 0.914 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.110 15.920 0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.911 14.102 2.426 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.210 15.265 2.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.071 13.059 2.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.605 13.844 1.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.351 12.703 1.123 1.00 0.00 H new ATOM 1229 N SER A 80 -7.303 13.310 -1.587 1.00 0.00 N ATOM 1230 CA SER A 80 -5.864 13.141 -1.816 1.00 0.00 C ATOM 1231 C SER A 80 -5.608 11.629 -1.968 1.00 0.00 C ATOM 1232 O SER A 80 -6.528 10.831 -1.781 1.00 0.00 O ATOM 1233 CB SER A 80 -5.015 13.741 -0.683 1.00 0.00 C ATOM 1234 OG SER A 80 -5.035 15.151 -0.719 1.00 0.00 O ATOM 0 H SER A 80 -7.806 12.595 -2.112 1.00 0.00 H new ATOM 0 HA SER A 80 -5.566 13.680 -2.716 1.00 0.00 H new ATOM 0 HB2 SER A 80 -5.392 13.394 0.279 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.988 13.387 -0.769 1.00 0.00 H new ATOM 0 HG SER A 80 -5.940 15.471 -0.519 1.00 0.00 H new ATOM 1240 N GLY A 81 -4.384 11.240 -2.328 1.00 0.00 N ATOM 1241 CA GLY A 81 -3.940 9.886 -2.633 1.00 0.00 C ATOM 1242 C GLY A 81 -2.909 9.984 -3.758 1.00 0.00 C ATOM 1243 O GLY A 81 -2.649 11.086 -4.252 1.00 0.00 O ATOM 0 H GLY A 81 -3.625 11.915 -2.420 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.502 9.418 -1.751 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.783 9.266 -2.938 1.00 0.00 H new ATOM 1247 N PHE A 82 -2.316 8.866 -4.179 1.00 0.00 N ATOM 1248 CA PHE A 82 -1.402 8.853 -5.300 1.00 0.00 C ATOM 1249 C PHE A 82 -2.086 9.231 -6.602 1.00 0.00 C ATOM 1250 O PHE A 82 -3.299 9.060 -6.787 1.00 0.00 O ATOM 1251 CB PHE A 82 -0.754 7.475 -5.474 1.00 0.00 C ATOM 1252 CG PHE A 82 -1.388 6.282 -4.784 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -2.352 5.508 -5.445 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -0.945 5.892 -3.512 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -2.909 4.382 -4.808 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -1.482 4.750 -2.894 1.00 0.00 C ATOM 1257 CZ PHE A 82 -2.485 4.009 -3.527 1.00 0.00 C ATOM 0 H PHE A 82 -2.461 7.953 -3.748 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.638 9.596 -5.073 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.717 7.259 -6.542 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.277 7.548 -5.128 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.668 5.775 -6.443 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.188 6.472 -3.005 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.669 3.802 -5.311 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.118 4.443 -1.925 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.928 3.157 -3.032 1.00 0.00 H new ATOM 1267 N LYS A 83 -1.224 9.588 -7.558 1.00 0.00 N ATOM 1268 CA LYS A 83 -1.508 9.608 -8.981 1.00 0.00 C ATOM 1269 C LYS A 83 -2.244 8.335 -9.402 1.00 0.00 C ATOM 1270 O LYS A 83 -2.036 7.280 -8.807 1.00 0.00 O ATOM 1271 CB LYS A 83 -0.146 9.641 -9.679 1.00 0.00 C ATOM 1272 CG LYS A 83 -0.144 10.325 -11.052 1.00 0.00 C ATOM 1273 CD LYS A 83 1.226 10.192 -11.735 1.00 0.00 C ATOM 1274 CE LYS A 83 1.523 8.792 -12.308 1.00 0.00 C ATOM 1275 NZ LYS A 83 0.807 8.514 -13.573 1.00 0.00 N ATOM 0 H LYS A 83 -0.271 9.882 -7.344 1.00 0.00 H new ATOM 0 HA LYS A 83 -2.134 10.462 -9.239 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.566 10.154 -9.032 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.211 8.618 -9.798 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.913 9.881 -11.684 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.395 11.379 -10.937 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.287 10.921 -12.543 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.003 10.448 -11.015 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.596 8.696 -12.477 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.248 8.039 -11.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.049 7.559 -13.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.219 8.575 -13.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.087 9.212 -14.291 1.00 0.00 H new