USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 668 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 THR OG1 : rot 43:sc= 0.599 USER MOD Set 1.2: A 74 LYS NZ :NH3+ -120:sc= 0.674 (180deg=-0.0552) USER MOD Set 2.1: A 7 LYS NZ :NH3+ -179:sc= 1.14 (180deg=0.922) USER MOD Set 2.2: A 17 TYR OH : rot 130:sc= 0.148 USER MOD Single : A 2 ASN : amide:sc= -1.89! C(o=-1.9!,f=-7!) USER MOD Single : A 3 SER OG : rot -103:sc= 1.26 USER MOD Single : A 22 ASN : amide:sc= 0.473 X(o=0.47,f=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.225 K(o=-0.23,f=-8.1!) USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= 1.28 (180deg=1.18) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -137:sc= 1.07 (180deg=-1.5) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -150:sc= 1.09 (180deg=-0.761!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 169:sc= 1.15 (180deg=0.463) USER MOD Single : A 75 LYS NZ :NH3+ 179:sc= 0.914 (180deg=0.913) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -73:sc= 0.852 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot 132:sc= 1.43 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.00813 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 95 LYS NZ :NH3+ 172:sc= -0.012 (180deg=-0.122) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0792) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 81.935 -10.150 -5.352 1.00 0.00 N ATOM 21 CA ASN A 2 83.040 -10.327 -6.276 1.00 0.00 C ATOM 22 C ASN A 2 83.322 -9.013 -6.981 1.00 0.00 C ATOM 23 O ASN A 2 82.697 -7.995 -6.678 1.00 0.00 O ATOM 24 CB ASN A 2 82.741 -11.421 -7.304 1.00 0.00 C ATOM 25 CG ASN A 2 82.717 -12.804 -6.689 1.00 0.00 C ATOM 26 OD1 ASN A 2 83.391 -13.066 -5.695 1.00 0.00 O ATOM 27 ND2 ASN A 2 81.954 -13.698 -7.288 1.00 0.00 N ATOM 0 HA ASN A 2 83.917 -10.638 -5.708 1.00 0.00 H new ATOM 0 HB2 ASN A 2 81.779 -11.220 -7.775 1.00 0.00 H new ATOM 0 HB3 ASN A 2 83.494 -11.390 -8.092 1.00 0.00 H new ATOM 0 HD21 ASN A 2 81.907 -14.651 -6.928 1.00 0.00 H new ATOM 0 HD22 ASN A 2 81.411 -13.436 -8.111 1.00 0.00 H new ATOM 34 N SER A 3 84.251 -9.039 -7.922 1.00 0.00 N ATOM 35 CA SER A 3 84.625 -7.848 -8.666 1.00 0.00 C ATOM 36 C SER A 3 83.438 -7.312 -9.466 1.00 0.00 C ATOM 37 O SER A 3 83.270 -6.102 -9.618 1.00 0.00 O ATOM 38 CB SER A 3 85.781 -8.186 -9.606 1.00 0.00 C ATOM 39 OG SER A 3 85.453 -9.308 -10.410 1.00 0.00 O ATOM 0 H SER A 3 84.764 -9.879 -8.190 1.00 0.00 H new ATOM 0 HA SER A 3 84.936 -7.075 -7.964 1.00 0.00 H new ATOM 0 HB2 SER A 3 86.004 -7.329 -10.241 1.00 0.00 H new ATOM 0 HB3 SER A 3 86.680 -8.396 -9.026 1.00 0.00 H new ATOM 0 HG SER A 3 85.910 -10.103 -10.064 1.00 0.00 H new ATOM 45 N GLU A 4 82.617 -8.236 -9.952 1.00 0.00 N ATOM 46 CA GLU A 4 81.464 -7.919 -10.786 1.00 0.00 C ATOM 47 C GLU A 4 80.506 -6.953 -10.089 1.00 0.00 C ATOM 48 O GLU A 4 80.180 -5.897 -10.632 1.00 0.00 O ATOM 49 CB GLU A 4 80.739 -9.212 -11.151 1.00 0.00 C ATOM 50 CG GLU A 4 79.595 -9.029 -12.129 1.00 0.00 C ATOM 51 CD GLU A 4 79.059 -10.352 -12.618 1.00 0.00 C ATOM 52 OE1 GLU A 4 79.760 -11.018 -13.405 1.00 0.00 O ATOM 53 OE2 GLU A 4 77.949 -10.746 -12.205 1.00 0.00 O ATOM 0 H GLU A 4 82.734 -9.234 -9.777 1.00 0.00 H new ATOM 0 HA GLU A 4 81.820 -7.424 -11.689 1.00 0.00 H new ATOM 0 HB2 GLU A 4 81.459 -9.911 -11.578 1.00 0.00 H new ATOM 0 HB3 GLU A 4 80.353 -9.669 -10.240 1.00 0.00 H new ATOM 0 HG2 GLU A 4 78.793 -8.467 -11.650 1.00 0.00 H new ATOM 0 HG3 GLU A 4 79.935 -8.438 -12.979 1.00 0.00 H new ATOM 60 N VAL A 5 80.069 -7.313 -8.884 1.00 0.00 N ATOM 61 CA VAL A 5 79.128 -6.489 -8.131 1.00 0.00 C ATOM 62 C VAL A 5 79.704 -5.099 -7.876 1.00 0.00 C ATOM 63 O VAL A 5 79.006 -4.092 -8.007 1.00 0.00 O ATOM 64 CB VAL A 5 78.752 -7.143 -6.782 1.00 0.00 C ATOM 65 CG1 VAL A 5 77.746 -6.288 -6.024 1.00 0.00 C ATOM 66 CG2 VAL A 5 78.197 -8.539 -7.003 1.00 0.00 C ATOM 0 H VAL A 5 80.352 -8.170 -8.409 1.00 0.00 H new ATOM 0 HA VAL A 5 78.227 -6.400 -8.738 1.00 0.00 H new ATOM 0 HB VAL A 5 79.658 -7.219 -6.180 1.00 0.00 H new ATOM 0 HG11 VAL A 5 77.498 -6.770 -5.078 1.00 0.00 H new ATOM 0 HG12 VAL A 5 78.177 -5.306 -5.828 1.00 0.00 H new ATOM 0 HG13 VAL A 5 76.842 -6.175 -6.622 1.00 0.00 H new ATOM 0 HG21 VAL A 5 77.938 -8.984 -6.042 1.00 0.00 H new ATOM 0 HG22 VAL A 5 77.306 -8.482 -7.628 1.00 0.00 H new ATOM 0 HG23 VAL A 5 78.948 -9.155 -7.497 1.00 0.00 H new ATOM 76 N ILE A 6 80.989 -5.050 -7.540 1.00 0.00 N ATOM 77 CA ILE A 6 81.657 -3.784 -7.275 1.00 0.00 C ATOM 78 C ILE A 6 81.733 -2.943 -8.549 1.00 0.00 C ATOM 79 O ILE A 6 81.523 -1.731 -8.514 1.00 0.00 O ATOM 80 CB ILE A 6 83.074 -3.999 -6.695 1.00 0.00 C ATOM 81 CG1 ILE A 6 82.999 -4.892 -5.452 1.00 0.00 C ATOM 82 CG2 ILE A 6 83.717 -2.661 -6.349 1.00 0.00 C ATOM 83 CD1 ILE A 6 84.343 -5.176 -4.814 1.00 0.00 C ATOM 0 H ILE A 6 81.586 -5.871 -7.445 1.00 0.00 H new ATOM 0 HA ILE A 6 81.067 -3.251 -6.530 1.00 0.00 H new ATOM 0 HB ILE A 6 83.691 -4.491 -7.447 1.00 0.00 H new ATOM 0 HG12 ILE A 6 82.352 -4.417 -4.715 1.00 0.00 H new ATOM 0 HG13 ILE A 6 82.531 -5.838 -5.725 1.00 0.00 H new ATOM 0 HG21 ILE A 6 84.714 -2.831 -5.942 1.00 0.00 H new ATOM 0 HG22 ILE A 6 83.792 -2.050 -7.248 1.00 0.00 H new ATOM 0 HG23 ILE A 6 83.106 -2.144 -5.609 1.00 0.00 H new ATOM 0 HD11 ILE A 6 84.204 -5.814 -3.941 1.00 0.00 H new ATOM 0 HD12 ILE A 6 84.988 -5.681 -5.533 1.00 0.00 H new ATOM 0 HD13 ILE A 6 84.806 -4.238 -4.508 1.00 0.00 H new ATOM 95 N LYS A 7 82.007 -3.599 -9.676 1.00 0.00 N ATOM 96 CA LYS A 7 82.023 -2.927 -10.974 1.00 0.00 C ATOM 97 C LYS A 7 80.676 -2.288 -11.273 1.00 0.00 C ATOM 98 O LYS A 7 80.611 -1.127 -11.674 1.00 0.00 O ATOM 99 CB LYS A 7 82.381 -3.902 -12.097 1.00 0.00 C ATOM 100 CG LYS A 7 83.871 -4.139 -12.260 1.00 0.00 C ATOM 101 CD LYS A 7 84.150 -5.150 -13.358 1.00 0.00 C ATOM 102 CE LYS A 7 85.626 -5.205 -13.701 1.00 0.00 C ATOM 103 NZ LYS A 7 86.077 -3.977 -14.412 1.00 0.00 N ATOM 0 H LYS A 7 82.221 -4.596 -9.716 1.00 0.00 H new ATOM 0 HA LYS A 7 82.785 -2.149 -10.925 1.00 0.00 H new ATOM 0 HB2 LYS A 7 81.891 -4.857 -11.905 1.00 0.00 H new ATOM 0 HB3 LYS A 7 81.980 -3.521 -13.036 1.00 0.00 H new ATOM 0 HG2 LYS A 7 84.368 -3.198 -12.494 1.00 0.00 H new ATOM 0 HG3 LYS A 7 84.290 -4.495 -11.319 1.00 0.00 H new ATOM 0 HD2 LYS A 7 83.812 -6.136 -13.040 1.00 0.00 H new ATOM 0 HD3 LYS A 7 83.578 -4.889 -14.248 1.00 0.00 H new ATOM 0 HE2 LYS A 7 86.207 -5.329 -12.787 1.00 0.00 H new ATOM 0 HE3 LYS A 7 85.822 -6.078 -14.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 87.087 -4.061 -14.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 85.529 -3.862 -15.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 85.930 -3.148 -13.801 1.00 0.00 H new ATOM 117 N GLU A 8 79.604 -3.046 -11.073 1.00 0.00 N ATOM 118 CA GLU A 8 78.261 -2.537 -11.310 1.00 0.00 C ATOM 119 C GLU A 8 77.958 -1.364 -10.388 1.00 0.00 C ATOM 120 O GLU A 8 77.372 -0.371 -10.813 1.00 0.00 O ATOM 121 CB GLU A 8 77.219 -3.636 -11.111 1.00 0.00 C ATOM 122 CG GLU A 8 77.357 -4.792 -12.085 1.00 0.00 C ATOM 123 CD GLU A 8 76.226 -5.786 -11.955 1.00 0.00 C ATOM 124 OE1 GLU A 8 76.311 -6.674 -11.086 1.00 0.00 O ATOM 125 OE2 GLU A 8 75.242 -5.671 -12.714 1.00 0.00 O ATOM 0 H GLU A 8 79.640 -4.012 -10.748 1.00 0.00 H new ATOM 0 HA GLU A 8 78.213 -2.194 -12.343 1.00 0.00 H new ATOM 0 HB2 GLU A 8 77.297 -4.019 -10.093 1.00 0.00 H new ATOM 0 HB3 GLU A 8 76.224 -3.203 -11.213 1.00 0.00 H new ATOM 0 HG2 GLU A 8 77.383 -4.405 -13.104 1.00 0.00 H new ATOM 0 HG3 GLU A 8 78.306 -5.299 -11.912 1.00 0.00 H new ATOM 132 N PHE A 9 78.376 -1.479 -9.134 1.00 0.00 N ATOM 133 CA PHE A 9 78.167 -0.421 -8.155 1.00 0.00 C ATOM 134 C PHE A 9 78.890 0.857 -8.580 1.00 0.00 C ATOM 135 O PHE A 9 78.291 1.930 -8.636 1.00 0.00 O ATOM 136 CB PHE A 9 78.656 -0.874 -6.775 1.00 0.00 C ATOM 137 CG PHE A 9 78.409 0.127 -5.682 1.00 0.00 C ATOM 138 CD1 PHE A 9 77.149 0.266 -5.123 1.00 0.00 C ATOM 139 CD2 PHE A 9 79.440 0.922 -5.204 1.00 0.00 C ATOM 140 CE1 PHE A 9 76.919 1.182 -4.114 1.00 0.00 C ATOM 141 CE2 PHE A 9 79.216 1.841 -4.196 1.00 0.00 C ATOM 142 CZ PHE A 9 77.955 1.969 -3.648 1.00 0.00 C ATOM 0 H PHE A 9 78.864 -2.298 -8.770 1.00 0.00 H new ATOM 0 HA PHE A 9 77.099 -0.209 -8.098 1.00 0.00 H new ATOM 0 HB2 PHE A 9 78.162 -1.810 -6.515 1.00 0.00 H new ATOM 0 HB3 PHE A 9 79.725 -1.082 -6.829 1.00 0.00 H new ATOM 0 HD1 PHE A 9 76.336 -0.349 -5.480 1.00 0.00 H new ATOM 0 HD2 PHE A 9 80.430 0.822 -5.624 1.00 0.00 H new ATOM 0 HE1 PHE A 9 75.931 1.283 -3.690 1.00 0.00 H new ATOM 0 HE2 PHE A 9 80.026 2.458 -3.837 1.00 0.00 H new ATOM 0 HZ PHE A 9 77.779 2.683 -2.857 1.00 0.00 H new ATOM 152 N LEU A 10 80.174 0.725 -8.898 1.00 0.00 N ATOM 153 CA LEU A 10 80.989 1.863 -9.318 1.00 0.00 C ATOM 154 C LEU A 10 80.452 2.471 -10.610 1.00 0.00 C ATOM 155 O LEU A 10 80.447 3.691 -10.783 1.00 0.00 O ATOM 156 CB LEU A 10 82.444 1.431 -9.506 1.00 0.00 C ATOM 157 CG LEU A 10 83.133 0.911 -8.244 1.00 0.00 C ATOM 158 CD1 LEU A 10 84.511 0.367 -8.576 1.00 0.00 C ATOM 159 CD2 LEU A 10 83.227 2.010 -7.197 1.00 0.00 C ATOM 0 H LEU A 10 80.676 -0.163 -8.873 1.00 0.00 H new ATOM 0 HA LEU A 10 80.941 2.622 -8.537 1.00 0.00 H new ATOM 0 HB2 LEU A 10 82.480 0.653 -10.268 1.00 0.00 H new ATOM 0 HB3 LEU A 10 83.012 2.279 -9.889 1.00 0.00 H new ATOM 0 HG LEU A 10 82.534 0.098 -7.834 1.00 0.00 H new ATOM 0 HD11 LEU A 10 84.987 0.001 -7.666 1.00 0.00 H new ATOM 0 HD12 LEU A 10 84.417 -0.451 -9.290 1.00 0.00 H new ATOM 0 HD13 LEU A 10 85.120 1.160 -9.010 1.00 0.00 H new ATOM 0 HD21 LEU A 10 83.720 1.622 -6.306 1.00 0.00 H new ATOM 0 HD22 LEU A 10 83.803 2.845 -7.596 1.00 0.00 H new ATOM 0 HD23 LEU A 10 82.225 2.352 -6.938 1.00 0.00 H new ATOM 171 N GLU A 11 79.991 1.612 -11.509 1.00 0.00 N ATOM 172 CA GLU A 11 79.415 2.052 -12.772 1.00 0.00 C ATOM 173 C GLU A 11 78.116 2.812 -12.529 1.00 0.00 C ATOM 174 O GLU A 11 77.845 3.831 -13.164 1.00 0.00 O ATOM 175 CB GLU A 11 79.145 0.845 -13.670 1.00 0.00 C ATOM 176 CG GLU A 11 78.681 1.209 -15.069 1.00 0.00 C ATOM 177 CD GLU A 11 79.737 1.958 -15.852 1.00 0.00 C ATOM 178 OE1 GLU A 11 80.652 1.302 -16.396 1.00 0.00 O ATOM 179 OE2 GLU A 11 79.657 3.197 -15.936 1.00 0.00 O ATOM 0 H GLU A 11 80.005 0.600 -11.385 1.00 0.00 H new ATOM 0 HA GLU A 11 80.125 2.717 -13.264 1.00 0.00 H new ATOM 0 HB2 GLU A 11 80.055 0.249 -13.743 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.389 0.217 -13.199 1.00 0.00 H new ATOM 0 HG2 GLU A 11 78.411 0.300 -15.607 1.00 0.00 H new ATOM 0 HG3 GLU A 11 77.781 1.820 -15.003 1.00 0.00 H new ATOM 186 N ASP A 12 77.320 2.311 -11.598 1.00 0.00 N ATOM 187 CA ASP A 12 76.014 2.889 -11.309 1.00 0.00 C ATOM 188 C ASP A 12 76.143 4.242 -10.618 1.00 0.00 C ATOM 189 O ASP A 12 75.336 5.143 -10.846 1.00 0.00 O ATOM 190 CB ASP A 12 75.194 1.931 -10.447 1.00 0.00 C ATOM 191 CG ASP A 12 73.783 2.425 -10.219 1.00 0.00 C ATOM 192 OD1 ASP A 12 73.035 2.571 -11.207 1.00 0.00 O ATOM 193 OD2 ASP A 12 73.416 2.672 -9.052 1.00 0.00 O ATOM 0 H ASP A 12 77.556 1.500 -11.026 1.00 0.00 H new ATOM 0 HA ASP A 12 75.500 3.047 -12.257 1.00 0.00 H new ATOM 0 HB2 ASP A 12 75.161 0.953 -10.927 1.00 0.00 H new ATOM 0 HB3 ASP A 12 75.689 1.797 -9.485 1.00 0.00 H new ATOM 198 N ILE A 13 77.157 4.389 -9.775 1.00 0.00 N ATOM 199 CA ILE A 13 77.392 5.658 -9.096 1.00 0.00 C ATOM 200 C ILE A 13 78.257 6.582 -9.951 1.00 0.00 C ATOM 201 O ILE A 13 78.448 7.754 -9.619 1.00 0.00 O ATOM 202 CB ILE A 13 78.053 5.469 -7.713 1.00 0.00 C ATOM 203 CG1 ILE A 13 79.429 4.811 -7.849 1.00 0.00 C ATOM 204 CG2 ILE A 13 77.147 4.643 -6.807 1.00 0.00 C ATOM 205 CD1 ILE A 13 80.169 4.667 -6.537 1.00 0.00 C ATOM 0 H ILE A 13 77.825 3.653 -9.546 1.00 0.00 H new ATOM 0 HA ILE A 13 76.413 6.113 -8.943 1.00 0.00 H new ATOM 0 HB ILE A 13 78.196 6.451 -7.262 1.00 0.00 H new ATOM 0 HG12 ILE A 13 79.307 3.825 -8.297 1.00 0.00 H new ATOM 0 HG13 ILE A 13 80.037 5.400 -8.536 1.00 0.00 H new ATOM 0 HG21 ILE A 13 77.623 4.516 -5.835 1.00 0.00 H new ATOM 0 HG22 ILE A 13 76.194 5.156 -6.680 1.00 0.00 H new ATOM 0 HG23 ILE A 13 76.976 3.665 -7.258 1.00 0.00 H new ATOM 0 HD11 ILE A 13 81.134 4.193 -6.714 1.00 0.00 H new ATOM 0 HD12 ILE A 13 80.324 5.652 -6.096 1.00 0.00 H new ATOM 0 HD13 ILE A 13 79.583 4.052 -5.854 1.00 0.00 H new ATOM 217 N GLY A 14 78.782 6.039 -11.046 1.00 0.00 N ATOM 218 CA GLY A 14 79.567 6.830 -11.977 1.00 0.00 C ATOM 219 C GLY A 14 80.857 7.328 -11.366 1.00 0.00 C ATOM 220 O GLY A 14 81.148 8.525 -11.400 1.00 0.00 O ATOM 0 H GLY A 14 78.676 5.058 -11.306 1.00 0.00 H new ATOM 0 HA2 GLY A 14 79.794 6.230 -12.858 1.00 0.00 H new ATOM 0 HA3 GLY A 14 78.976 7.681 -12.315 1.00 0.00 H new ATOM 224 N GLU A 15 81.628 6.415 -10.797 1.00 0.00 N ATOM 225 CA GLU A 15 82.877 6.774 -10.147 1.00 0.00 C ATOM 226 C GLU A 15 84.068 6.217 -10.921 1.00 0.00 C ATOM 227 O GLU A 15 83.973 5.167 -11.559 1.00 0.00 O ATOM 228 CB GLU A 15 82.891 6.261 -8.699 1.00 0.00 C ATOM 229 CG GLU A 15 84.150 6.624 -7.923 1.00 0.00 C ATOM 230 CD GLU A 15 84.372 8.121 -7.817 1.00 0.00 C ATOM 231 OE1 GLU A 15 84.739 8.750 -8.832 1.00 0.00 O ATOM 232 OE2 GLU A 15 84.199 8.676 -6.715 1.00 0.00 O ATOM 0 H GLU A 15 81.410 5.419 -10.772 1.00 0.00 H new ATOM 0 HA GLU A 15 82.957 7.861 -10.133 1.00 0.00 H new ATOM 0 HB2 GLU A 15 82.025 6.663 -8.174 1.00 0.00 H new ATOM 0 HB3 GLU A 15 82.783 5.176 -8.708 1.00 0.00 H new ATOM 0 HG2 GLU A 15 84.087 6.200 -6.921 1.00 0.00 H new ATOM 0 HG3 GLU A 15 85.013 6.168 -8.408 1.00 0.00 H new ATOM 239 N ASP A 16 85.181 6.934 -10.864 1.00 0.00 N ATOM 240 CA ASP A 16 86.416 6.503 -11.499 1.00 0.00 C ATOM 241 C ASP A 16 87.191 5.593 -10.556 1.00 0.00 C ATOM 242 O ASP A 16 87.346 5.901 -9.372 1.00 0.00 O ATOM 243 CB ASP A 16 87.273 7.715 -11.881 1.00 0.00 C ATOM 244 CG ASP A 16 88.669 7.329 -12.340 1.00 0.00 C ATOM 245 OD1 ASP A 16 88.841 6.995 -13.531 1.00 0.00 O ATOM 246 OD2 ASP A 16 89.603 7.371 -11.516 1.00 0.00 O ATOM 0 H ASP A 16 85.253 7.828 -10.378 1.00 0.00 H new ATOM 0 HA ASP A 16 86.170 5.952 -12.407 1.00 0.00 H new ATOM 0 HB2 ASP A 16 86.775 8.270 -12.676 1.00 0.00 H new ATOM 0 HB3 ASP A 16 87.350 8.384 -11.024 1.00 0.00 H new ATOM 251 N TYR A 17 87.666 4.473 -11.074 1.00 0.00 N ATOM 252 CA TYR A 17 88.428 3.536 -10.266 1.00 0.00 C ATOM 253 C TYR A 17 89.659 3.061 -11.022 1.00 0.00 C ATOM 254 O TYR A 17 89.616 2.867 -12.239 1.00 0.00 O ATOM 255 CB TYR A 17 87.557 2.346 -9.835 1.00 0.00 C ATOM 256 CG TYR A 17 87.051 1.469 -10.965 1.00 0.00 C ATOM 257 CD1 TYR A 17 85.900 1.800 -11.672 1.00 0.00 C ATOM 258 CD2 TYR A 17 87.712 0.294 -11.305 1.00 0.00 C ATOM 259 CE1 TYR A 17 85.424 0.985 -12.684 1.00 0.00 C ATOM 260 CE2 TYR A 17 87.245 -0.522 -12.318 1.00 0.00 C ATOM 261 CZ TYR A 17 86.102 -0.174 -13.004 1.00 0.00 C ATOM 262 OH TYR A 17 85.628 -0.992 -14.008 1.00 0.00 O ATOM 0 H TYR A 17 87.538 4.191 -12.046 1.00 0.00 H new ATOM 0 HA TYR A 17 88.757 4.052 -9.364 1.00 0.00 H new ATOM 0 HB2 TYR A 17 88.132 1.727 -9.146 1.00 0.00 H new ATOM 0 HB3 TYR A 17 86.699 2.727 -9.281 1.00 0.00 H new ATOM 0 HD1 TYR A 17 85.369 2.708 -11.427 1.00 0.00 H new ATOM 0 HD2 TYR A 17 88.606 0.014 -10.768 1.00 0.00 H new ATOM 0 HE1 TYR A 17 84.526 1.254 -13.221 1.00 0.00 H new ATOM 0 HE2 TYR A 17 87.774 -1.429 -12.571 1.00 0.00 H new ATOM 0 HH TYR A 17 86.356 -1.201 -14.630 1.00 0.00 H new ATOM 272 N ILE A 18 90.755 2.889 -10.300 1.00 0.00 N ATOM 273 CA ILE A 18 92.000 2.441 -10.901 1.00 0.00 C ATOM 274 C ILE A 18 92.082 0.922 -10.857 1.00 0.00 C ATOM 275 O ILE A 18 92.381 0.332 -9.812 1.00 0.00 O ATOM 276 CB ILE A 18 93.226 3.047 -10.184 1.00 0.00 C ATOM 277 CG1 ILE A 18 93.136 4.576 -10.178 1.00 0.00 C ATOM 278 CG2 ILE A 18 94.514 2.588 -10.855 1.00 0.00 C ATOM 279 CD1 ILE A 18 94.239 5.245 -9.386 1.00 0.00 C ATOM 0 H ILE A 18 90.807 3.053 -9.295 1.00 0.00 H new ATOM 0 HA ILE A 18 92.010 2.781 -11.937 1.00 0.00 H new ATOM 0 HB ILE A 18 93.234 2.698 -9.151 1.00 0.00 H new ATOM 0 HG12 ILE A 18 93.168 4.937 -11.206 1.00 0.00 H new ATOM 0 HG13 ILE A 18 92.172 4.873 -9.765 1.00 0.00 H new ATOM 0 HG21 ILE A 18 95.369 3.024 -10.338 1.00 0.00 H new ATOM 0 HG22 ILE A 18 94.579 1.501 -10.812 1.00 0.00 H new ATOM 0 HG23 ILE A 18 94.517 2.911 -11.896 1.00 0.00 H new ATOM 0 HD11 ILE A 18 94.111 6.327 -9.426 1.00 0.00 H new ATOM 0 HD12 ILE A 18 94.195 4.913 -8.349 1.00 0.00 H new ATOM 0 HD13 ILE A 18 95.206 4.978 -9.812 1.00 0.00 H new ATOM 291 N GLU A 19 91.792 0.293 -11.983 1.00 0.00 N ATOM 292 CA GLU A 19 91.806 -1.154 -12.064 1.00 0.00 C ATOM 293 C GLU A 19 93.175 -1.664 -12.495 1.00 0.00 C ATOM 294 O GLU A 19 93.643 -1.377 -13.597 1.00 0.00 O ATOM 295 CB GLU A 19 90.744 -1.653 -13.043 1.00 0.00 C ATOM 296 CG GLU A 19 90.683 -3.168 -13.136 1.00 0.00 C ATOM 297 CD GLU A 19 89.799 -3.651 -14.262 1.00 0.00 C ATOM 298 OE1 GLU A 19 88.592 -3.844 -14.027 1.00 0.00 O ATOM 299 OE2 GLU A 19 90.316 -3.846 -15.381 1.00 0.00 O ATOM 0 H GLU A 19 91.544 0.764 -12.853 1.00 0.00 H new ATOM 0 HA GLU A 19 91.583 -1.540 -11.069 1.00 0.00 H new ATOM 0 HB2 GLU A 19 89.769 -1.274 -12.736 1.00 0.00 H new ATOM 0 HB3 GLU A 19 90.948 -1.242 -14.032 1.00 0.00 H new ATOM 0 HG2 GLU A 19 91.690 -3.559 -13.278 1.00 0.00 H new ATOM 0 HG3 GLU A 19 90.314 -3.571 -12.193 1.00 0.00 H new ATOM 306 N LEU A 20 93.809 -2.411 -11.614 1.00 0.00 N ATOM 307 CA LEU A 20 95.052 -3.079 -11.935 1.00 0.00 C ATOM 308 C LEU A 20 94.823 -4.581 -11.882 1.00 0.00 C ATOM 309 O LEU A 20 93.748 -5.029 -11.478 1.00 0.00 O ATOM 310 CB LEU A 20 96.158 -2.672 -10.956 1.00 0.00 C ATOM 311 CG LEU A 20 96.520 -1.181 -10.956 1.00 0.00 C ATOM 312 CD1 LEU A 20 97.623 -0.900 -9.947 1.00 0.00 C ATOM 313 CD2 LEU A 20 96.946 -0.732 -12.347 1.00 0.00 C ATOM 0 H LEU A 20 93.479 -2.571 -10.662 1.00 0.00 H new ATOM 0 HA LEU A 20 95.373 -2.788 -12.935 1.00 0.00 H new ATOM 0 HB2 LEU A 20 95.850 -2.954 -9.949 1.00 0.00 H new ATOM 0 HB3 LEU A 20 97.055 -3.246 -11.188 1.00 0.00 H new ATOM 0 HG LEU A 20 95.635 -0.614 -10.668 1.00 0.00 H new ATOM 0 HD11 LEU A 20 97.867 0.162 -9.961 1.00 0.00 H new ATOM 0 HD12 LEU A 20 97.284 -1.182 -8.950 1.00 0.00 H new ATOM 0 HD13 LEU A 20 98.509 -1.479 -10.206 1.00 0.00 H new ATOM 0 HD21 LEU A 20 97.199 0.328 -12.326 1.00 0.00 H new ATOM 0 HD22 LEU A 20 97.817 -1.306 -12.664 1.00 0.00 H new ATOM 0 HD23 LEU A 20 96.128 -0.896 -13.049 1.00 0.00 H new ATOM 325 N GLU A 21 95.823 -5.351 -12.276 1.00 0.00 N ATOM 326 CA GLU A 21 95.702 -6.803 -12.307 1.00 0.00 C ATOM 327 C GLU A 21 95.407 -7.360 -10.917 1.00 0.00 C ATOM 328 O GLU A 21 96.280 -7.390 -10.049 1.00 0.00 O ATOM 329 CB GLU A 21 96.974 -7.424 -12.880 1.00 0.00 C ATOM 330 CG GLU A 21 97.251 -6.983 -14.305 1.00 0.00 C ATOM 331 CD GLU A 21 98.565 -7.506 -14.833 1.00 0.00 C ATOM 332 OE1 GLU A 21 99.593 -6.820 -14.654 1.00 0.00 O ATOM 333 OE2 GLU A 21 98.578 -8.598 -15.434 1.00 0.00 O ATOM 0 H GLU A 21 96.730 -4.997 -12.580 1.00 0.00 H new ATOM 0 HA GLU A 21 94.864 -7.064 -12.953 1.00 0.00 H new ATOM 0 HB2 GLU A 21 97.821 -7.154 -12.249 1.00 0.00 H new ATOM 0 HB3 GLU A 21 96.888 -8.510 -12.850 1.00 0.00 H new ATOM 0 HG2 GLU A 21 96.443 -7.326 -14.951 1.00 0.00 H new ATOM 0 HG3 GLU A 21 97.254 -5.894 -14.350 1.00 0.00 H new ATOM 340 N ASN A 22 94.147 -7.760 -10.715 1.00 0.00 N ATOM 341 CA ASN A 22 93.675 -8.325 -9.449 1.00 0.00 C ATOM 342 C ASN A 22 93.665 -7.281 -8.336 1.00 0.00 C ATOM 343 O ASN A 22 93.567 -7.622 -7.157 1.00 0.00 O ATOM 344 CB ASN A 22 94.517 -9.537 -9.027 1.00 0.00 C ATOM 345 CG ASN A 22 94.308 -10.739 -9.929 1.00 0.00 C ATOM 346 OD1 ASN A 22 94.991 -10.903 -10.936 1.00 0.00 O ATOM 347 ND2 ASN A 22 93.366 -11.594 -9.567 1.00 0.00 N ATOM 0 H ASN A 22 93.423 -7.700 -11.431 1.00 0.00 H new ATOM 0 HA ASN A 22 92.650 -8.657 -9.615 1.00 0.00 H new ATOM 0 HB2 ASN A 22 95.572 -9.262 -9.034 1.00 0.00 H new ATOM 0 HB3 ASN A 22 94.266 -9.809 -8.002 1.00 0.00 H new ATOM 0 HD21 ASN A 22 93.186 -12.424 -10.132 1.00 0.00 H new ATOM 0 HD22 ASN A 22 92.819 -11.423 -8.723 1.00 0.00 H new ATOM 354 N GLU A 23 93.731 -6.008 -8.711 1.00 0.00 N ATOM 355 CA GLU A 23 93.717 -4.924 -7.737 1.00 0.00 C ATOM 356 C GLU A 23 92.757 -3.821 -8.153 1.00 0.00 C ATOM 357 O GLU A 23 92.978 -3.132 -9.146 1.00 0.00 O ATOM 358 CB GLU A 23 95.108 -4.312 -7.566 1.00 0.00 C ATOM 359 CG GLU A 23 96.136 -5.243 -6.958 1.00 0.00 C ATOM 360 CD GLU A 23 97.431 -4.526 -6.632 1.00 0.00 C ATOM 361 OE1 GLU A 23 97.665 -3.430 -7.192 1.00 0.00 O ATOM 362 OE2 GLU A 23 98.220 -5.055 -5.821 1.00 0.00 O ATOM 0 H GLU A 23 93.795 -5.702 -9.682 1.00 0.00 H new ATOM 0 HA GLU A 23 93.390 -5.359 -6.792 1.00 0.00 H new ATOM 0 HB2 GLU A 23 95.468 -3.982 -8.541 1.00 0.00 H new ATOM 0 HB3 GLU A 23 95.025 -3.424 -6.939 1.00 0.00 H new ATOM 0 HG2 GLU A 23 95.730 -5.688 -6.050 1.00 0.00 H new ATOM 0 HG3 GLU A 23 96.339 -6.060 -7.650 1.00 0.00 H new ATOM 369 N ILE A 24 91.704 -3.643 -7.380 1.00 0.00 N ATOM 370 CA ILE A 24 90.812 -2.515 -7.578 1.00 0.00 C ATOM 371 C ILE A 24 91.194 -1.407 -6.608 1.00 0.00 C ATOM 372 O ILE A 24 90.919 -1.495 -5.413 1.00 0.00 O ATOM 373 CB ILE A 24 89.324 -2.892 -7.374 1.00 0.00 C ATOM 374 CG1 ILE A 24 88.918 -4.007 -8.341 1.00 0.00 C ATOM 375 CG2 ILE A 24 88.433 -1.668 -7.573 1.00 0.00 C ATOM 376 CD1 ILE A 24 87.480 -4.455 -8.185 1.00 0.00 C ATOM 0 H ILE A 24 91.445 -4.262 -6.612 1.00 0.00 H new ATOM 0 HA ILE A 24 90.921 -2.182 -8.610 1.00 0.00 H new ATOM 0 HB ILE A 24 89.196 -3.253 -6.354 1.00 0.00 H new ATOM 0 HG12 ILE A 24 89.073 -3.663 -9.364 1.00 0.00 H new ATOM 0 HG13 ILE A 24 89.575 -4.864 -8.190 1.00 0.00 H new ATOM 0 HG21 ILE A 24 87.390 -1.949 -7.426 1.00 0.00 H new ATOM 0 HG22 ILE A 24 88.706 -0.898 -6.851 1.00 0.00 H new ATOM 0 HG23 ILE A 24 88.566 -1.282 -8.584 1.00 0.00 H new ATOM 0 HD11 ILE A 24 87.266 -5.247 -8.903 1.00 0.00 H new ATOM 0 HD12 ILE A 24 87.324 -4.830 -7.174 1.00 0.00 H new ATOM 0 HD13 ILE A 24 86.814 -3.611 -8.366 1.00 0.00 H new ATOM 388 N HIS A 25 91.864 -0.385 -7.112 1.00 0.00 N ATOM 389 CA HIS A 25 92.295 0.718 -6.267 1.00 0.00 C ATOM 390 C HIS A 25 91.212 1.783 -6.230 1.00 0.00 C ATOM 391 O HIS A 25 90.943 2.446 -7.235 1.00 0.00 O ATOM 392 CB HIS A 25 93.624 1.305 -6.761 1.00 0.00 C ATOM 393 CG HIS A 25 94.793 0.376 -6.596 1.00 0.00 C ATOM 394 ND1 HIS A 25 95.835 0.615 -5.722 1.00 0.00 N ATOM 395 CD2 HIS A 25 95.088 -0.796 -7.210 1.00 0.00 C ATOM 396 CE1 HIS A 25 96.711 -0.368 -5.804 1.00 0.00 C ATOM 397 NE2 HIS A 25 96.284 -1.234 -6.698 1.00 0.00 N ATOM 0 H HIS A 25 92.121 -0.295 -8.095 1.00 0.00 H new ATOM 0 HA HIS A 25 92.460 0.344 -5.257 1.00 0.00 H new ATOM 0 HB2 HIS A 25 93.526 1.568 -7.814 1.00 0.00 H new ATOM 0 HB3 HIS A 25 93.826 2.229 -6.220 1.00 0.00 H new ATOM 0 HD2 HIS A 25 94.493 -1.293 -7.962 1.00 0.00 H new ATOM 0 HE1 HIS A 25 97.625 -0.448 -5.234 1.00 0.00 H new ATOM 0 HE2 HIS A 25 96.764 -2.093 -6.967 1.00 0.00 H new ATOM 406 N LEU A 26 90.582 1.923 -5.074 1.00 0.00 N ATOM 407 CA LEU A 26 89.457 2.832 -4.921 1.00 0.00 C ATOM 408 C LEU A 26 89.848 4.074 -4.142 1.00 0.00 C ATOM 409 O LEU A 26 90.931 4.152 -3.562 1.00 0.00 O ATOM 410 CB LEU A 26 88.292 2.134 -4.215 1.00 0.00 C ATOM 411 CG LEU A 26 87.584 1.055 -5.033 1.00 0.00 C ATOM 412 CD1 LEU A 26 86.446 0.444 -4.232 1.00 0.00 C ATOM 413 CD2 LEU A 26 87.060 1.636 -6.335 1.00 0.00 C ATOM 0 H LEU A 26 90.832 1.416 -4.225 1.00 0.00 H new ATOM 0 HA LEU A 26 89.146 3.134 -5.921 1.00 0.00 H new ATOM 0 HB2 LEU A 26 88.664 1.683 -3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 26 87.559 2.888 -3.927 1.00 0.00 H new ATOM 0 HG LEU A 26 88.304 0.271 -5.267 1.00 0.00 H new ATOM 0 HD11 LEU A 26 85.952 -0.323 -4.829 1.00 0.00 H new ATOM 0 HD12 LEU A 26 86.842 -0.004 -3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 26 85.727 1.220 -3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 26 86.558 0.855 -6.906 1.00 0.00 H new ATOM 0 HD22 LEU A 26 86.354 2.437 -6.118 1.00 0.00 H new ATOM 0 HD23 LEU A 26 87.892 2.034 -6.917 1.00 0.00 H new ATOM 425 N LYS A 27 88.947 5.040 -4.144 1.00 0.00 N ATOM 426 CA LYS A 27 89.112 6.259 -3.374 1.00 0.00 C ATOM 427 C LYS A 27 88.704 5.997 -1.928 1.00 0.00 C ATOM 428 O LYS A 27 87.711 5.310 -1.685 1.00 0.00 O ATOM 429 CB LYS A 27 88.264 7.371 -3.997 1.00 0.00 C ATOM 430 CG LYS A 27 88.667 7.686 -5.431 1.00 0.00 C ATOM 431 CD LYS A 27 87.565 8.402 -6.198 1.00 0.00 C ATOM 432 CE LYS A 27 87.232 9.756 -5.600 1.00 0.00 C ATOM 433 NZ LYS A 27 86.170 10.446 -6.377 1.00 0.00 N ATOM 0 H LYS A 27 88.080 5.001 -4.680 1.00 0.00 H new ATOM 0 HA LYS A 27 90.154 6.577 -3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 27 87.215 7.077 -3.975 1.00 0.00 H new ATOM 0 HB3 LYS A 27 88.355 8.273 -3.392 1.00 0.00 H new ATOM 0 HG2 LYS A 27 89.564 8.305 -5.426 1.00 0.00 H new ATOM 0 HG3 LYS A 27 88.922 6.760 -5.946 1.00 0.00 H new ATOM 0 HD2 LYS A 27 87.873 8.532 -7.236 1.00 0.00 H new ATOM 0 HD3 LYS A 27 86.669 7.781 -6.207 1.00 0.00 H new ATOM 0 HE2 LYS A 27 86.905 9.629 -4.568 1.00 0.00 H new ATOM 0 HE3 LYS A 27 88.129 10.376 -5.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 86.037 11.408 -6.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 86.450 10.497 -7.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 85.279 9.916 -6.293 1.00 0.00 H new ATOM 447 N PRO A 28 89.475 6.531 -0.961 1.00 0.00 N ATOM 448 CA PRO A 28 89.302 6.262 0.475 1.00 0.00 C ATOM 449 C PRO A 28 87.845 6.231 0.942 1.00 0.00 C ATOM 450 O PRO A 28 87.411 5.267 1.576 1.00 0.00 O ATOM 451 CB PRO A 28 90.057 7.412 1.162 1.00 0.00 C ATOM 452 CG PRO A 28 90.624 8.264 0.069 1.00 0.00 C ATOM 453 CD PRO A 28 90.600 7.443 -1.188 1.00 0.00 C ATOM 0 HA PRO A 28 89.677 5.268 0.720 1.00 0.00 H new ATOM 0 HB2 PRO A 28 89.386 7.991 1.797 1.00 0.00 H new ATOM 0 HB3 PRO A 28 90.849 7.027 1.804 1.00 0.00 H new ATOM 0 HG2 PRO A 28 90.037 9.174 -0.054 1.00 0.00 H new ATOM 0 HG3 PRO A 28 91.642 8.571 0.309 1.00 0.00 H new ATOM 0 HD2 PRO A 28 90.447 8.062 -2.072 1.00 0.00 H new ATOM 0 HD3 PRO A 28 91.535 6.903 -1.336 1.00 0.00 H new ATOM 461 N GLU A 29 87.091 7.272 0.619 1.00 0.00 N ATOM 462 CA GLU A 29 85.720 7.391 1.097 1.00 0.00 C ATOM 463 C GLU A 29 84.812 6.365 0.422 1.00 0.00 C ATOM 464 O GLU A 29 83.933 5.784 1.062 1.00 0.00 O ATOM 465 CB GLU A 29 85.213 8.811 0.860 1.00 0.00 C ATOM 466 CG GLU A 29 83.823 9.076 1.407 1.00 0.00 C ATOM 467 CD GLU A 29 83.498 10.551 1.428 1.00 0.00 C ATOM 468 OE1 GLU A 29 83.469 11.176 0.348 1.00 0.00 O ATOM 469 OE2 GLU A 29 83.303 11.105 2.533 1.00 0.00 O ATOM 0 H GLU A 29 87.403 8.044 0.030 1.00 0.00 H new ATOM 0 HA GLU A 29 85.703 7.186 2.167 1.00 0.00 H new ATOM 0 HB2 GLU A 29 85.910 9.514 1.315 1.00 0.00 H new ATOM 0 HB3 GLU A 29 85.213 9.011 -0.212 1.00 0.00 H new ATOM 0 HG2 GLU A 29 83.087 8.551 0.798 1.00 0.00 H new ATOM 0 HG3 GLU A 29 83.747 8.673 2.417 1.00 0.00 H new ATOM 476 N VAL A 30 85.047 6.123 -0.860 1.00 0.00 N ATOM 477 CA VAL A 30 84.282 5.131 -1.604 1.00 0.00 C ATOM 478 C VAL A 30 84.554 3.738 -1.040 1.00 0.00 C ATOM 479 O VAL A 30 83.640 2.931 -0.863 1.00 0.00 O ATOM 480 CB VAL A 30 84.636 5.157 -3.107 1.00 0.00 C ATOM 481 CG1 VAL A 30 83.774 4.175 -3.886 1.00 0.00 C ATOM 482 CG2 VAL A 30 84.490 6.564 -3.670 1.00 0.00 C ATOM 0 H VAL A 30 85.763 6.601 -1.408 1.00 0.00 H new ATOM 0 HA VAL A 30 83.225 5.374 -1.498 1.00 0.00 H new ATOM 0 HB VAL A 30 85.677 4.851 -3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 30 84.043 4.213 -4.942 1.00 0.00 H new ATOM 0 HG12 VAL A 30 83.937 3.167 -3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 30 82.723 4.441 -3.770 1.00 0.00 H new ATOM 0 HG21 VAL A 30 84.744 6.560 -4.730 1.00 0.00 H new ATOM 0 HG22 VAL A 30 83.461 6.901 -3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 30 85.160 7.240 -3.139 1.00 0.00 H new ATOM 492 N PHE A 31 85.824 3.483 -0.742 1.00 0.00 N ATOM 493 CA PHE A 31 86.256 2.217 -0.158 1.00 0.00 C ATOM 494 C PHE A 31 85.527 1.949 1.156 1.00 0.00 C ATOM 495 O PHE A 31 85.104 0.825 1.425 1.00 0.00 O ATOM 496 CB PHE A 31 87.771 2.251 0.076 1.00 0.00 C ATOM 497 CG PHE A 31 88.333 1.018 0.731 1.00 0.00 C ATOM 498 CD1 PHE A 31 88.629 -0.108 -0.019 1.00 0.00 C ATOM 499 CD2 PHE A 31 88.579 0.992 2.095 1.00 0.00 C ATOM 500 CE1 PHE A 31 89.160 -1.235 0.579 1.00 0.00 C ATOM 501 CE2 PHE A 31 89.106 -0.133 2.697 1.00 0.00 C ATOM 502 CZ PHE A 31 89.398 -1.248 1.938 1.00 0.00 C ATOM 0 H PHE A 31 86.582 4.147 -0.898 1.00 0.00 H new ATOM 0 HA PHE A 31 86.014 1.411 -0.851 1.00 0.00 H new ATOM 0 HB2 PHE A 31 88.270 2.397 -0.882 1.00 0.00 H new ATOM 0 HB3 PHE A 31 88.010 3.116 0.695 1.00 0.00 H new ATOM 0 HD1 PHE A 31 88.443 -0.105 -1.083 1.00 0.00 H new ATOM 0 HD2 PHE A 31 88.356 1.862 2.694 1.00 0.00 H new ATOM 0 HE1 PHE A 31 89.389 -2.106 -0.018 1.00 0.00 H new ATOM 0 HE2 PHE A 31 89.290 -0.141 3.761 1.00 0.00 H new ATOM 0 HZ PHE A 31 89.812 -2.129 2.407 1.00 0.00 H new ATOM 512 N TYR A 32 85.372 2.995 1.960 1.00 0.00 N ATOM 513 CA TYR A 32 84.723 2.882 3.260 1.00 0.00 C ATOM 514 C TYR A 32 83.289 2.367 3.128 1.00 0.00 C ATOM 515 O TYR A 32 82.868 1.474 3.867 1.00 0.00 O ATOM 516 CB TYR A 32 84.737 4.235 3.977 1.00 0.00 C ATOM 517 CG TYR A 32 83.992 4.226 5.292 1.00 0.00 C ATOM 518 CD1 TYR A 32 84.437 3.456 6.357 1.00 0.00 C ATOM 519 CD2 TYR A 32 82.838 4.979 5.461 1.00 0.00 C ATOM 520 CE1 TYR A 32 83.752 3.435 7.554 1.00 0.00 C ATOM 521 CE2 TYR A 32 82.148 4.964 6.657 1.00 0.00 C ATOM 522 CZ TYR A 32 82.609 4.191 7.699 1.00 0.00 C ATOM 523 OH TYR A 32 81.923 4.167 8.889 1.00 0.00 O ATOM 0 H TYR A 32 85.690 3.937 1.732 1.00 0.00 H new ATOM 0 HA TYR A 32 85.283 2.158 3.852 1.00 0.00 H new ATOM 0 HB2 TYR A 32 85.770 4.532 4.156 1.00 0.00 H new ATOM 0 HB3 TYR A 32 84.297 4.988 3.324 1.00 0.00 H new ATOM 0 HD1 TYR A 32 85.334 2.864 6.247 1.00 0.00 H new ATOM 0 HD2 TYR A 32 82.474 5.586 4.645 1.00 0.00 H new ATOM 0 HE1 TYR A 32 84.110 2.829 8.373 1.00 0.00 H new ATOM 0 HE2 TYR A 32 81.252 5.555 6.774 1.00 0.00 H new ATOM 0 HH TYR A 32 81.141 4.755 8.828 1.00 0.00 H new ATOM 533 N GLU A 33 82.546 2.927 2.180 1.00 0.00 N ATOM 534 CA GLU A 33 81.161 2.525 1.961 1.00 0.00 C ATOM 535 C GLU A 33 81.072 1.073 1.505 1.00 0.00 C ATOM 536 O GLU A 33 80.145 0.355 1.878 1.00 0.00 O ATOM 537 CB GLU A 33 80.490 3.446 0.944 1.00 0.00 C ATOM 538 CG GLU A 33 80.121 4.808 1.511 1.00 0.00 C ATOM 539 CD GLU A 33 79.134 4.708 2.659 1.00 0.00 C ATOM 540 OE1 GLU A 33 78.067 4.085 2.476 1.00 0.00 O ATOM 541 OE2 GLU A 33 79.406 5.269 3.740 1.00 0.00 O ATOM 0 H GLU A 33 82.878 3.659 1.552 1.00 0.00 H new ATOM 0 HA GLU A 33 80.634 2.611 2.911 1.00 0.00 H new ATOM 0 HB2 GLU A 33 81.158 3.584 0.094 1.00 0.00 H new ATOM 0 HB3 GLU A 33 79.589 2.962 0.566 1.00 0.00 H new ATOM 0 HG2 GLU A 33 81.024 5.312 1.855 1.00 0.00 H new ATOM 0 HG3 GLU A 33 79.693 5.424 0.720 1.00 0.00 H new ATOM 548 N VAL A 34 82.044 0.644 0.708 1.00 0.00 N ATOM 549 CA VAL A 34 82.088 -0.732 0.223 1.00 0.00 C ATOM 550 C VAL A 34 82.469 -1.686 1.356 1.00 0.00 C ATOM 551 O VAL A 34 81.928 -2.789 1.472 1.00 0.00 O ATOM 552 CB VAL A 34 83.088 -0.882 -0.946 1.00 0.00 C ATOM 553 CG1 VAL A 34 83.108 -2.312 -1.465 1.00 0.00 C ATOM 554 CG2 VAL A 34 82.745 0.086 -2.070 1.00 0.00 C ATOM 0 H VAL A 34 82.813 1.229 0.383 1.00 0.00 H new ATOM 0 HA VAL A 34 81.093 -0.987 -0.141 1.00 0.00 H new ATOM 0 HB VAL A 34 84.083 -0.642 -0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 34 83.819 -2.391 -2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 34 83.405 -2.986 -0.662 1.00 0.00 H new ATOM 0 HG13 VAL A 34 82.114 -2.585 -1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 34 83.460 -0.034 -2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 34 81.740 -0.123 -2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 34 82.790 1.109 -1.696 1.00 0.00 H new ATOM 564 N TRP A 35 83.385 -1.234 2.204 1.00 0.00 N ATOM 565 CA TRP A 35 83.858 -2.014 3.343 1.00 0.00 C ATOM 566 C TRP A 35 82.703 -2.418 4.258 1.00 0.00 C ATOM 567 O TRP A 35 82.583 -3.579 4.654 1.00 0.00 O ATOM 568 CB TRP A 35 84.897 -1.201 4.118 1.00 0.00 C ATOM 569 CG TRP A 35 85.400 -1.866 5.365 1.00 0.00 C ATOM 570 CD1 TRP A 35 85.965 -3.104 5.466 1.00 0.00 C ATOM 571 CD2 TRP A 35 85.398 -1.318 6.687 1.00 0.00 C ATOM 572 NE1 TRP A 35 86.307 -3.361 6.774 1.00 0.00 N ATOM 573 CE2 TRP A 35 85.973 -2.276 7.539 1.00 0.00 C ATOM 574 CE3 TRP A 35 84.964 -0.106 7.230 1.00 0.00 C ATOM 575 CZ2 TRP A 35 86.128 -2.060 8.906 1.00 0.00 C ATOM 576 CZ3 TRP A 35 85.118 0.107 8.588 1.00 0.00 C ATOM 577 CH2 TRP A 35 85.696 -0.865 9.411 1.00 0.00 C ATOM 0 H TRP A 35 83.822 -0.316 2.122 1.00 0.00 H new ATOM 0 HA TRP A 35 84.317 -2.930 2.972 1.00 0.00 H new ATOM 0 HB2 TRP A 35 85.744 -0.997 3.463 1.00 0.00 H new ATOM 0 HB3 TRP A 35 84.462 -0.238 4.385 1.00 0.00 H new ATOM 0 HD1 TRP A 35 86.121 -3.783 4.640 1.00 0.00 H new ATOM 0 HE1 TRP A 35 86.739 -4.219 7.117 1.00 0.00 H new ATOM 0 HE3 TRP A 35 84.517 0.650 6.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 86.573 -2.809 9.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 84.786 1.040 9.020 1.00 0.00 H new ATOM 0 HH2 TRP A 35 85.803 -0.668 10.467 1.00 0.00 H new ATOM 588 N LYS A 36 81.839 -1.467 4.579 1.00 0.00 N ATOM 589 CA LYS A 36 80.698 -1.754 5.437 1.00 0.00 C ATOM 590 C LYS A 36 79.511 -2.268 4.630 1.00 0.00 C ATOM 591 O LYS A 36 78.475 -2.624 5.188 1.00 0.00 O ATOM 592 CB LYS A 36 80.311 -0.525 6.258 1.00 0.00 C ATOM 593 CG LYS A 36 81.219 -0.313 7.456 1.00 0.00 C ATOM 594 CD LYS A 36 80.764 0.852 8.318 1.00 0.00 C ATOM 595 CE LYS A 36 81.470 0.842 9.665 1.00 0.00 C ATOM 596 NZ LYS A 36 81.094 -0.349 10.473 1.00 0.00 N ATOM 0 H LYS A 36 81.904 -0.499 4.263 1.00 0.00 H new ATOM 0 HA LYS A 36 80.993 -2.544 6.128 1.00 0.00 H new ATOM 0 HB2 LYS A 36 80.345 0.358 5.620 1.00 0.00 H new ATOM 0 HB3 LYS A 36 79.282 -0.631 6.601 1.00 0.00 H new ATOM 0 HG2 LYS A 36 81.242 -1.221 8.058 1.00 0.00 H new ATOM 0 HG3 LYS A 36 82.237 -0.133 7.111 1.00 0.00 H new ATOM 0 HD2 LYS A 36 80.968 1.791 7.804 1.00 0.00 H new ATOM 0 HD3 LYS A 36 79.686 0.798 8.468 1.00 0.00 H new ATOM 0 HE2 LYS A 36 82.549 0.851 9.511 1.00 0.00 H new ATOM 0 HE3 LYS A 36 81.219 1.749 10.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 80.929 -0.062 11.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 80.226 -0.772 10.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 81.864 -1.048 10.441 1.00 0.00 H new ATOM 610 N TYR A 37 79.675 -2.329 3.316 1.00 0.00 N ATOM 611 CA TYR A 37 78.640 -2.867 2.448 1.00 0.00 C ATOM 612 C TYR A 37 78.674 -4.391 2.497 1.00 0.00 C ATOM 613 O TYR A 37 77.633 -5.046 2.458 1.00 0.00 O ATOM 614 CB TYR A 37 78.825 -2.372 1.010 1.00 0.00 C ATOM 615 CG TYR A 37 77.643 -2.641 0.107 1.00 0.00 C ATOM 616 CD1 TYR A 37 76.470 -1.913 0.239 1.00 0.00 C ATOM 617 CD2 TYR A 37 77.704 -3.614 -0.883 1.00 0.00 C ATOM 618 CE1 TYR A 37 75.388 -2.144 -0.588 1.00 0.00 C ATOM 619 CE2 TYR A 37 76.626 -3.853 -1.714 1.00 0.00 C ATOM 620 CZ TYR A 37 75.471 -3.117 -1.563 1.00 0.00 C ATOM 621 OH TYR A 37 74.396 -3.350 -2.391 1.00 0.00 O ATOM 0 H TYR A 37 80.514 -2.013 2.829 1.00 0.00 H new ATOM 0 HA TYR A 37 77.669 -2.519 2.800 1.00 0.00 H new ATOM 0 HB2 TYR A 37 79.018 -1.299 1.028 1.00 0.00 H new ATOM 0 HB3 TYR A 37 79.709 -2.847 0.585 1.00 0.00 H new ATOM 0 HD1 TYR A 37 76.401 -1.152 1.002 1.00 0.00 H new ATOM 0 HD2 TYR A 37 78.608 -4.192 -1.005 1.00 0.00 H new ATOM 0 HE1 TYR A 37 74.483 -1.567 -0.472 1.00 0.00 H new ATOM 0 HE2 TYR A 37 76.689 -4.613 -2.478 1.00 0.00 H new ATOM 0 HH TYR A 37 74.618 -4.066 -3.022 1.00 0.00 H new ATOM 631 N VAL A 38 79.877 -4.949 2.614 1.00 0.00 N ATOM 632 CA VAL A 38 80.041 -6.397 2.732 1.00 0.00 C ATOM 633 C VAL A 38 79.915 -6.861 4.182 1.00 0.00 C ATOM 634 O VAL A 38 80.095 -8.040 4.481 1.00 0.00 O ATOM 635 CB VAL A 38 81.386 -6.886 2.149 1.00 0.00 C ATOM 636 CG1 VAL A 38 81.321 -6.938 0.636 1.00 0.00 C ATOM 637 CG2 VAL A 38 82.535 -5.995 2.591 1.00 0.00 C ATOM 0 H VAL A 38 80.751 -4.423 2.630 1.00 0.00 H new ATOM 0 HA VAL A 38 79.235 -6.839 2.146 1.00 0.00 H new ATOM 0 HB VAL A 38 81.568 -7.890 2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 38 82.277 -7.284 0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 38 80.532 -7.624 0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 38 81.108 -5.943 0.247 1.00 0.00 H new ATOM 0 HG21 VAL A 38 83.467 -6.365 2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 38 82.358 -4.976 2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 38 82.605 -6.004 3.679 1.00 0.00 H new ATOM 647 N GLY A 39 79.606 -5.932 5.078 1.00 0.00 N ATOM 648 CA GLY A 39 79.344 -6.293 6.460 1.00 0.00 C ATOM 649 C GLY A 39 80.545 -6.115 7.368 1.00 0.00 C ATOM 650 O GLY A 39 80.575 -6.670 8.465 1.00 0.00 O ATOM 0 H GLY A 39 79.532 -4.935 4.874 1.00 0.00 H new ATOM 0 HA2 GLY A 39 78.521 -5.686 6.836 1.00 0.00 H new ATOM 0 HA3 GLY A 39 79.018 -7.332 6.501 1.00 0.00 H new ATOM 654 N GLU A 40 81.527 -5.338 6.910 1.00 0.00 N ATOM 655 CA GLU A 40 82.736 -5.050 7.687 1.00 0.00 C ATOM 656 C GLU A 40 83.526 -6.326 7.989 1.00 0.00 C ATOM 657 O GLU A 40 83.350 -6.950 9.038 1.00 0.00 O ATOM 658 CB GLU A 40 82.395 -4.314 8.993 1.00 0.00 C ATOM 659 CG GLU A 40 83.616 -3.944 9.825 1.00 0.00 C ATOM 660 CD GLU A 40 83.264 -3.238 11.121 1.00 0.00 C ATOM 661 OE1 GLU A 40 82.953 -2.032 11.080 1.00 0.00 O ATOM 662 OE2 GLU A 40 83.297 -3.890 12.189 1.00 0.00 O ATOM 0 H GLU A 40 81.508 -4.891 5.993 1.00 0.00 H new ATOM 0 HA GLU A 40 83.362 -4.399 7.077 1.00 0.00 H new ATOM 0 HB2 GLU A 40 81.841 -3.406 8.754 1.00 0.00 H new ATOM 0 HB3 GLU A 40 81.735 -4.942 9.592 1.00 0.00 H new ATOM 0 HG2 GLU A 40 84.180 -4.848 10.053 1.00 0.00 H new ATOM 0 HG3 GLU A 40 84.269 -3.301 9.234 1.00 0.00 H new ATOM 669 N PRO A 41 84.376 -6.754 7.050 1.00 0.00 N ATOM 670 CA PRO A 41 85.280 -7.872 7.259 1.00 0.00 C ATOM 671 C PRO A 41 86.627 -7.413 7.815 1.00 0.00 C ATOM 672 O PRO A 41 86.962 -6.224 7.749 1.00 0.00 O ATOM 673 CB PRO A 41 85.444 -8.425 5.847 1.00 0.00 C ATOM 674 CG PRO A 41 85.338 -7.230 4.955 1.00 0.00 C ATOM 675 CD PRO A 41 84.506 -6.202 5.691 1.00 0.00 C ATOM 0 HA PRO A 41 84.904 -8.596 7.982 1.00 0.00 H new ATOM 0 HB2 PRO A 41 86.405 -8.924 5.727 1.00 0.00 H new ATOM 0 HB3 PRO A 41 84.672 -9.160 5.618 1.00 0.00 H new ATOM 0 HG2 PRO A 41 86.326 -6.832 4.724 1.00 0.00 H new ATOM 0 HG3 PRO A 41 84.871 -7.497 4.007 1.00 0.00 H new ATOM 0 HD2 PRO A 41 84.994 -5.227 5.701 1.00 0.00 H new ATOM 0 HD3 PRO A 41 83.532 -6.066 5.221 1.00 0.00 H new ATOM 683 N GLU A 42 87.391 -8.346 8.367 1.00 0.00 N ATOM 684 CA GLU A 42 88.728 -8.033 8.846 1.00 0.00 C ATOM 685 C GLU A 42 89.646 -7.797 7.651 1.00 0.00 C ATOM 686 O GLU A 42 89.749 -8.640 6.760 1.00 0.00 O ATOM 687 CB GLU A 42 89.268 -9.155 9.735 1.00 0.00 C ATOM 688 CG GLU A 42 90.544 -8.779 10.466 1.00 0.00 C ATOM 689 CD GLU A 42 90.969 -9.821 11.477 1.00 0.00 C ATOM 690 OE1 GLU A 42 90.384 -9.858 12.577 1.00 0.00 O ATOM 691 OE2 GLU A 42 91.910 -10.587 11.189 1.00 0.00 O ATOM 0 H GLU A 42 87.110 -9.318 8.493 1.00 0.00 H new ATOM 0 HA GLU A 42 88.688 -7.128 9.452 1.00 0.00 H new ATOM 0 HB2 GLU A 42 88.506 -9.429 10.465 1.00 0.00 H new ATOM 0 HB3 GLU A 42 89.455 -10.037 9.122 1.00 0.00 H new ATOM 0 HG2 GLU A 42 91.344 -8.636 9.740 1.00 0.00 H new ATOM 0 HG3 GLU A 42 90.399 -7.825 10.973 1.00 0.00 H new ATOM 698 N LEU A 43 90.298 -6.645 7.635 1.00 0.00 N ATOM 699 CA LEU A 43 91.049 -6.206 6.470 1.00 0.00 C ATOM 700 C LEU A 43 92.499 -6.664 6.512 1.00 0.00 C ATOM 701 O LEU A 43 93.092 -6.821 7.583 1.00 0.00 O ATOM 702 CB LEU A 43 90.999 -4.682 6.369 1.00 0.00 C ATOM 703 CG LEU A 43 89.613 -4.089 6.123 1.00 0.00 C ATOM 704 CD1 LEU A 43 89.651 -2.576 6.258 1.00 0.00 C ATOM 705 CD2 LEU A 43 89.102 -4.483 4.747 1.00 0.00 C ATOM 0 H LEU A 43 90.322 -5.994 8.420 1.00 0.00 H new ATOM 0 HA LEU A 43 90.585 -6.659 5.594 1.00 0.00 H new ATOM 0 HB2 LEU A 43 91.398 -4.260 7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 43 91.660 -4.366 5.562 1.00 0.00 H new ATOM 0 HG LEU A 43 88.930 -4.488 6.873 1.00 0.00 H new ATOM 0 HD11 LEU A 43 88.655 -2.170 6.080 1.00 0.00 H new ATOM 0 HD12 LEU A 43 89.977 -2.308 7.263 1.00 0.00 H new ATOM 0 HD13 LEU A 43 90.347 -2.163 5.528 1.00 0.00 H new ATOM 0 HD21 LEU A 43 88.113 -4.052 4.589 1.00 0.00 H new ATOM 0 HD22 LEU A 43 89.786 -4.111 3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 43 89.039 -5.569 4.679 1.00 0.00 H new ATOM 717 N LYS A 44 93.060 -6.869 5.330 1.00 0.00 N ATOM 718 CA LYS A 44 94.476 -7.160 5.190 1.00 0.00 C ATOM 719 C LYS A 44 95.218 -5.881 4.853 1.00 0.00 C ATOM 720 O LYS A 44 94.608 -4.886 4.459 1.00 0.00 O ATOM 721 CB LYS A 44 94.728 -8.180 4.081 1.00 0.00 C ATOM 722 CG LYS A 44 94.319 -9.603 4.414 1.00 0.00 C ATOM 723 CD LYS A 44 94.715 -10.539 3.286 1.00 0.00 C ATOM 724 CE LYS A 44 94.420 -11.993 3.606 1.00 0.00 C ATOM 725 NZ LYS A 44 94.805 -12.879 2.475 1.00 0.00 N ATOM 0 H LYS A 44 92.550 -6.838 4.447 1.00 0.00 H new ATOM 0 HA LYS A 44 94.831 -7.576 6.133 1.00 0.00 H new ATOM 0 HB2 LYS A 44 94.190 -7.863 3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 44 95.790 -8.171 3.834 1.00 0.00 H new ATOM 0 HG2 LYS A 44 94.795 -9.918 5.342 1.00 0.00 H new ATOM 0 HG3 LYS A 44 93.242 -9.651 4.576 1.00 0.00 H new ATOM 0 HD2 LYS A 44 94.182 -10.255 2.379 1.00 0.00 H new ATOM 0 HD3 LYS A 44 95.779 -10.424 3.080 1.00 0.00 H new ATOM 0 HE2 LYS A 44 94.962 -12.288 4.504 1.00 0.00 H new ATOM 0 HE3 LYS A 44 93.358 -12.113 3.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 94.184 -13.713 2.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 94.708 -12.360 1.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 95.792 -13.184 2.593 1.00 0.00 H new ATOM 739 N THR A 45 96.528 -5.904 4.998 1.00 0.00 N ATOM 740 CA THR A 45 97.337 -4.754 4.654 1.00 0.00 C ATOM 741 C THR A 45 98.342 -5.094 3.562 1.00 0.00 C ATOM 742 O THR A 45 98.859 -6.211 3.497 1.00 0.00 O ATOM 743 CB THR A 45 98.065 -4.196 5.888 1.00 0.00 C ATOM 744 OG1 THR A 45 98.699 -5.260 6.611 1.00 0.00 O ATOM 745 CG2 THR A 45 97.096 -3.464 6.802 1.00 0.00 C ATOM 0 H THR A 45 97.053 -6.704 5.351 1.00 0.00 H new ATOM 0 HA THR A 45 96.663 -3.986 4.275 1.00 0.00 H new ATOM 0 HB THR A 45 98.822 -3.491 5.545 1.00 0.00 H new ATOM 0 HG1 THR A 45 99.131 -5.873 5.980 1.00 0.00 H new ATOM 0 HG21 THR A 45 97.634 -3.078 7.668 1.00 0.00 H new ATOM 0 HG22 THR A 45 96.639 -2.636 6.260 1.00 0.00 H new ATOM 0 HG23 THR A 45 96.319 -4.152 7.135 1.00 0.00 H new ATOM 753 N TYR A 46 98.594 -4.127 2.697 1.00 0.00 N ATOM 754 CA TYR A 46 99.528 -4.288 1.602 1.00 0.00 C ATOM 755 C TYR A 46 100.656 -3.281 1.760 1.00 0.00 C ATOM 756 O TYR A 46 100.434 -2.073 1.687 1.00 0.00 O ATOM 757 CB TYR A 46 98.803 -4.072 0.270 1.00 0.00 C ATOM 758 CG TYR A 46 99.559 -4.580 -0.933 1.00 0.00 C ATOM 759 CD1 TYR A 46 99.615 -5.938 -1.208 1.00 0.00 C ATOM 760 CD2 TYR A 46 100.210 -3.707 -1.794 1.00 0.00 C ATOM 761 CE1 TYR A 46 100.297 -6.416 -2.309 1.00 0.00 C ATOM 762 CE2 TYR A 46 100.896 -4.175 -2.899 1.00 0.00 C ATOM 763 CZ TYR A 46 100.938 -5.531 -3.152 1.00 0.00 C ATOM 764 OH TYR A 46 101.624 -6.003 -4.251 1.00 0.00 O ATOM 0 H TYR A 46 98.155 -3.207 2.736 1.00 0.00 H new ATOM 0 HA TYR A 46 99.943 -5.296 1.612 1.00 0.00 H new ATOM 0 HB2 TYR A 46 97.833 -4.568 0.312 1.00 0.00 H new ATOM 0 HB3 TYR A 46 98.611 -3.007 0.142 1.00 0.00 H new ATOM 0 HD1 TYR A 46 99.116 -6.634 -0.549 1.00 0.00 H new ATOM 0 HD2 TYR A 46 100.180 -2.645 -1.597 1.00 0.00 H new ATOM 0 HE1 TYR A 46 100.329 -7.477 -2.510 1.00 0.00 H new ATOM 0 HE2 TYR A 46 101.396 -3.483 -3.561 1.00 0.00 H new ATOM 0 HH TYR A 46 102.017 -5.250 -4.740 1.00 0.00 H new ATOM 774 N VAL A 47 101.854 -3.779 1.991 1.00 0.00 N ATOM 775 CA VAL A 47 102.998 -2.915 2.217 1.00 0.00 C ATOM 776 C VAL A 47 103.842 -2.788 0.957 1.00 0.00 C ATOM 777 O VAL A 47 104.315 -3.784 0.413 1.00 0.00 O ATOM 778 CB VAL A 47 103.879 -3.437 3.372 1.00 0.00 C ATOM 779 CG1 VAL A 47 105.124 -2.580 3.533 1.00 0.00 C ATOM 780 CG2 VAL A 47 103.091 -3.469 4.671 1.00 0.00 C ATOM 0 H VAL A 47 102.062 -4.777 2.027 1.00 0.00 H new ATOM 0 HA VAL A 47 102.609 -1.934 2.489 1.00 0.00 H new ATOM 0 HB VAL A 47 104.190 -4.452 3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 47 105.729 -2.967 4.353 1.00 0.00 H new ATOM 0 HG12 VAL A 47 105.704 -2.605 2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 47 104.833 -1.553 3.751 1.00 0.00 H new ATOM 0 HG21 VAL A 47 103.728 -3.840 5.474 1.00 0.00 H new ATOM 0 HG22 VAL A 47 102.749 -2.463 4.914 1.00 0.00 H new ATOM 0 HG23 VAL A 47 102.230 -4.127 4.558 1.00 0.00 H new ATOM 790 N ILE A 48 104.006 -1.561 0.489 1.00 0.00 N ATOM 791 CA ILE A 48 104.889 -1.294 -0.632 1.00 0.00 C ATOM 792 C ILE A 48 106.166 -0.632 -0.134 1.00 0.00 C ATOM 793 O ILE A 48 106.120 0.304 0.666 1.00 0.00 O ATOM 794 CB ILE A 48 104.225 -0.404 -1.708 1.00 0.00 C ATOM 795 CG1 ILE A 48 103.736 0.916 -1.104 1.00 0.00 C ATOM 796 CG2 ILE A 48 103.073 -1.149 -2.368 1.00 0.00 C ATOM 797 CD1 ILE A 48 103.238 1.909 -2.132 1.00 0.00 C ATOM 0 H ILE A 48 103.540 -0.737 0.868 1.00 0.00 H new ATOM 0 HA ILE A 48 105.119 -2.251 -1.099 1.00 0.00 H new ATOM 0 HB ILE A 48 104.972 -0.169 -2.467 1.00 0.00 H new ATOM 0 HG12 ILE A 48 102.934 0.706 -0.396 1.00 0.00 H new ATOM 0 HG13 ILE A 48 104.550 1.370 -0.538 1.00 0.00 H new ATOM 0 HG21 ILE A 48 102.613 -0.512 -3.124 1.00 0.00 H new ATOM 0 HG22 ILE A 48 103.449 -2.057 -2.839 1.00 0.00 H new ATOM 0 HG23 ILE A 48 102.330 -1.412 -1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 48 102.909 2.819 -1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 48 104.044 2.149 -2.826 1.00 0.00 H new ATOM 0 HD13 ILE A 48 102.403 1.475 -2.682 1.00 0.00 H new ATOM 809 N GLU A 49 107.299 -1.137 -0.586 1.00 0.00 N ATOM 810 CA GLU A 49 108.588 -0.617 -0.167 1.00 0.00 C ATOM 811 C GLU A 49 109.313 -0.008 -1.360 1.00 0.00 C ATOM 812 O GLU A 49 109.834 -0.728 -2.212 1.00 0.00 O ATOM 813 CB GLU A 49 109.422 -1.739 0.453 1.00 0.00 C ATOM 814 CG GLU A 49 110.758 -1.281 1.006 1.00 0.00 C ATOM 815 CD GLU A 49 111.546 -2.420 1.615 1.00 0.00 C ATOM 816 OE1 GLU A 49 111.302 -2.753 2.791 1.00 0.00 O ATOM 817 OE2 GLU A 49 112.419 -2.984 0.924 1.00 0.00 O ATOM 0 H GLU A 49 107.353 -1.912 -1.247 1.00 0.00 H new ATOM 0 HA GLU A 49 108.438 0.161 0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 49 108.848 -2.204 1.255 1.00 0.00 H new ATOM 0 HB3 GLU A 49 109.596 -2.507 -0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 49 111.342 -0.824 0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 49 110.592 -0.512 1.760 1.00 0.00 H new ATOM 1177 N LYS A 72 108.350 1.487 4.005 1.00 0.00 N ATOM 1178 CA LYS A 72 107.245 0.548 3.983 1.00 0.00 C ATOM 1179 C LYS A 72 105.916 1.279 4.136 1.00 0.00 C ATOM 1180 O LYS A 72 105.534 1.677 5.241 1.00 0.00 O ATOM 1181 CB LYS A 72 107.420 -0.495 5.092 1.00 0.00 C ATOM 1182 CG LYS A 72 108.602 -1.428 4.874 1.00 0.00 C ATOM 1183 CD LYS A 72 108.813 -2.345 6.070 1.00 0.00 C ATOM 1184 CE LYS A 72 109.888 -3.388 5.805 1.00 0.00 C ATOM 1185 NZ LYS A 72 111.183 -2.776 5.403 1.00 0.00 N ATOM 0 HA LYS A 72 107.240 0.036 3.021 1.00 0.00 H new ATOM 0 HB2 LYS A 72 107.545 0.019 6.045 1.00 0.00 H new ATOM 0 HB3 LYS A 72 106.509 -1.089 5.167 1.00 0.00 H new ATOM 0 HG2 LYS A 72 108.434 -2.027 3.979 1.00 0.00 H new ATOM 0 HG3 LYS A 72 109.504 -0.841 4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 72 109.092 -1.749 6.939 1.00 0.00 H new ATOM 0 HD3 LYS A 72 107.875 -2.844 6.314 1.00 0.00 H new ATOM 0 HE2 LYS A 72 110.036 -3.990 6.702 1.00 0.00 H new ATOM 0 HE3 LYS A 72 109.549 -4.064 5.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 111.928 -3.501 5.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 111.098 -2.382 4.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 111.429 -2.016 6.069 1.00 0.00 H new ATOM 1199 N ILE A 73 105.230 1.473 3.022 1.00 0.00 N ATOM 1200 CA ILE A 73 103.938 2.135 3.020 1.00 0.00 C ATOM 1201 C ILE A 73 102.831 1.099 3.170 1.00 0.00 C ATOM 1202 O ILE A 73 102.625 0.262 2.290 1.00 0.00 O ATOM 1203 CB ILE A 73 103.724 2.946 1.723 1.00 0.00 C ATOM 1204 CG1 ILE A 73 104.873 3.940 1.531 1.00 0.00 C ATOM 1205 CG2 ILE A 73 102.386 3.674 1.765 1.00 0.00 C ATOM 1206 CD1 ILE A 73 104.824 4.686 0.213 1.00 0.00 C ATOM 0 H ILE A 73 105.551 1.178 2.100 1.00 0.00 H new ATOM 0 HA ILE A 73 103.910 2.829 3.860 1.00 0.00 H new ATOM 0 HB ILE A 73 103.712 2.259 0.877 1.00 0.00 H new ATOM 0 HG12 ILE A 73 104.856 4.662 2.347 1.00 0.00 H new ATOM 0 HG13 ILE A 73 105.820 3.404 1.599 1.00 0.00 H new ATOM 0 HG21 ILE A 73 102.251 4.241 0.844 1.00 0.00 H new ATOM 0 HG22 ILE A 73 101.580 2.948 1.866 1.00 0.00 H new ATOM 0 HG23 ILE A 73 102.369 4.355 2.616 1.00 0.00 H new ATOM 0 HD11 ILE A 73 105.670 5.371 0.151 1.00 0.00 H new ATOM 0 HD12 ILE A 73 104.873 3.973 -0.610 1.00 0.00 H new ATOM 0 HD13 ILE A 73 103.894 5.251 0.149 1.00 0.00 H new ATOM 1218 N LYS A 74 102.133 1.155 4.294 1.00 0.00 N ATOM 1219 CA LYS A 74 101.148 0.142 4.637 1.00 0.00 C ATOM 1220 C LYS A 74 99.748 0.579 4.206 1.00 0.00 C ATOM 1221 O LYS A 74 99.118 1.417 4.848 1.00 0.00 O ATOM 1222 CB LYS A 74 101.193 -0.121 6.146 1.00 0.00 C ATOM 1223 CG LYS A 74 100.561 -1.434 6.581 1.00 0.00 C ATOM 1224 CD LYS A 74 100.760 -1.658 8.073 1.00 0.00 C ATOM 1225 CE LYS A 74 100.234 -3.011 8.529 1.00 0.00 C ATOM 1226 NZ LYS A 74 101.024 -4.148 7.981 1.00 0.00 N ATOM 0 H LYS A 74 102.232 1.896 4.988 1.00 0.00 H new ATOM 0 HA LYS A 74 101.386 -0.780 4.106 1.00 0.00 H new ATOM 0 HB2 LYS A 74 102.233 -0.108 6.472 1.00 0.00 H new ATOM 0 HB3 LYS A 74 100.688 0.697 6.659 1.00 0.00 H new ATOM 0 HG2 LYS A 74 99.496 -1.426 6.348 1.00 0.00 H new ATOM 0 HG3 LYS A 74 101.003 -2.259 6.022 1.00 0.00 H new ATOM 0 HD2 LYS A 74 101.821 -1.584 8.311 1.00 0.00 H new ATOM 0 HD3 LYS A 74 100.253 -0.868 8.628 1.00 0.00 H new ATOM 0 HE2 LYS A 74 100.250 -3.054 9.618 1.00 0.00 H new ATOM 0 HE3 LYS A 74 99.194 -3.115 8.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 100.404 -4.758 7.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 101.793 -3.781 7.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 101.428 -4.700 8.765 1.00 0.00 H new ATOM 1240 N LYS A 75 99.290 0.024 3.094 1.00 0.00 N ATOM 1241 CA LYS A 75 97.944 0.280 2.594 1.00 0.00 C ATOM 1242 C LYS A 75 97.013 -0.840 3.047 1.00 0.00 C ATOM 1243 O LYS A 75 97.474 -1.858 3.550 1.00 0.00 O ATOM 1244 CB LYS A 75 97.948 0.396 1.065 1.00 0.00 C ATOM 1245 CG LYS A 75 98.820 1.530 0.541 1.00 0.00 C ATOM 1246 CD LYS A 75 98.797 1.598 -0.979 1.00 0.00 C ATOM 1247 CE LYS A 75 99.790 2.619 -1.518 1.00 0.00 C ATOM 1248 NZ LYS A 75 99.402 4.022 -1.207 1.00 0.00 N ATOM 0 H LYS A 75 99.836 -0.613 2.514 1.00 0.00 H new ATOM 0 HA LYS A 75 97.586 1.227 2.999 1.00 0.00 H new ATOM 0 HB2 LYS A 75 98.296 -0.545 0.639 1.00 0.00 H new ATOM 0 HB3 LYS A 75 96.926 0.545 0.718 1.00 0.00 H new ATOM 0 HG2 LYS A 75 98.473 2.477 0.953 1.00 0.00 H new ATOM 0 HG3 LYS A 75 99.845 1.390 0.884 1.00 0.00 H new ATOM 0 HD2 LYS A 75 99.028 0.615 -1.390 1.00 0.00 H new ATOM 0 HD3 LYS A 75 97.793 1.856 -1.316 1.00 0.00 H new ATOM 0 HE2 LYS A 75 100.775 2.418 -1.097 1.00 0.00 H new ATOM 0 HE3 LYS A 75 99.875 2.501 -2.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 100.121 4.672 -1.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 98.482 4.233 -1.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 99.331 4.142 -0.176 1.00 0.00 H new ATOM 1262 N VAL A 76 95.715 -0.647 2.902 1.00 0.00 N ATOM 1263 CA VAL A 76 94.746 -1.639 3.345 1.00 0.00 C ATOM 1264 C VAL A 76 93.957 -2.184 2.152 1.00 0.00 C ATOM 1265 O VAL A 76 93.758 -1.479 1.163 1.00 0.00 O ATOM 1266 CB VAL A 76 93.781 -1.035 4.394 1.00 0.00 C ATOM 1267 CG1 VAL A 76 92.909 0.055 3.786 1.00 0.00 C ATOM 1268 CG2 VAL A 76 92.922 -2.111 5.029 1.00 0.00 C ATOM 0 H VAL A 76 95.305 0.187 2.481 1.00 0.00 H new ATOM 0 HA VAL A 76 95.289 -2.461 3.811 1.00 0.00 H new ATOM 0 HB VAL A 76 94.392 -0.580 5.174 1.00 0.00 H new ATOM 0 HG11 VAL A 76 92.244 0.457 4.550 1.00 0.00 H new ATOM 0 HG12 VAL A 76 93.542 0.854 3.399 1.00 0.00 H new ATOM 0 HG13 VAL A 76 92.316 -0.364 2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 76 92.254 -1.658 5.762 1.00 0.00 H new ATOM 0 HG22 VAL A 76 92.332 -2.608 4.258 1.00 0.00 H new ATOM 0 HG23 VAL A 76 93.561 -2.842 5.524 1.00 0.00 H new ATOM 1278 N TYR A 77 93.539 -3.445 2.223 1.00 0.00 N ATOM 1279 CA TYR A 77 92.732 -4.027 1.159 1.00 0.00 C ATOM 1280 C TYR A 77 91.884 -5.182 1.678 1.00 0.00 C ATOM 1281 O TYR A 77 92.230 -5.824 2.671 1.00 0.00 O ATOM 1282 CB TYR A 77 93.618 -4.510 -0.005 1.00 0.00 C ATOM 1283 CG TYR A 77 94.472 -5.730 0.286 1.00 0.00 C ATOM 1284 CD1 TYR A 77 93.971 -7.014 0.102 1.00 0.00 C ATOM 1285 CD2 TYR A 77 95.781 -5.598 0.727 1.00 0.00 C ATOM 1286 CE1 TYR A 77 94.748 -8.129 0.353 1.00 0.00 C ATOM 1287 CE2 TYR A 77 96.565 -6.708 0.977 1.00 0.00 C ATOM 1288 CZ TYR A 77 96.044 -7.970 0.789 1.00 0.00 C ATOM 1289 OH TYR A 77 96.826 -9.075 1.043 1.00 0.00 O ATOM 0 H TYR A 77 93.744 -4.076 2.998 1.00 0.00 H new ATOM 0 HA TYR A 77 92.066 -3.246 0.792 1.00 0.00 H new ATOM 0 HB2 TYR A 77 92.977 -4.732 -0.858 1.00 0.00 H new ATOM 0 HB3 TYR A 77 94.274 -3.692 -0.303 1.00 0.00 H new ATOM 0 HD1 TYR A 77 92.956 -7.142 -0.243 1.00 0.00 H new ATOM 0 HD2 TYR A 77 96.194 -4.611 0.877 1.00 0.00 H new ATOM 0 HE1 TYR A 77 94.341 -9.119 0.208 1.00 0.00 H new ATOM 0 HE2 TYR A 77 97.582 -6.587 1.319 1.00 0.00 H new ATOM 0 HH TYR A 77 97.713 -8.786 1.342 1.00 0.00 H new ATOM 1299 N PHE A 78 90.767 -5.435 1.006 1.00 0.00 N ATOM 1300 CA PHE A 78 89.973 -6.624 1.288 1.00 0.00 C ATOM 1301 C PHE A 78 89.900 -7.490 0.040 1.00 0.00 C ATOM 1302 O PHE A 78 90.144 -7.013 -1.073 1.00 0.00 O ATOM 1303 CB PHE A 78 88.565 -6.279 1.806 1.00 0.00 C ATOM 1304 CG PHE A 78 87.649 -5.620 0.810 1.00 0.00 C ATOM 1305 CD1 PHE A 78 87.604 -4.242 0.698 1.00 0.00 C ATOM 1306 CD2 PHE A 78 86.813 -6.380 0.005 1.00 0.00 C ATOM 1307 CE1 PHE A 78 86.747 -3.633 -0.197 1.00 0.00 C ATOM 1308 CE2 PHE A 78 85.957 -5.777 -0.895 1.00 0.00 C ATOM 1309 CZ PHE A 78 85.924 -4.402 -0.995 1.00 0.00 C ATOM 0 H PHE A 78 90.393 -4.838 0.268 1.00 0.00 H new ATOM 0 HA PHE A 78 90.465 -7.179 2.087 1.00 0.00 H new ATOM 0 HB2 PHE A 78 88.092 -7.196 2.157 1.00 0.00 H new ATOM 0 HB3 PHE A 78 88.666 -5.622 2.670 1.00 0.00 H new ATOM 0 HD1 PHE A 78 88.247 -3.635 1.318 1.00 0.00 H new ATOM 0 HD2 PHE A 78 86.832 -7.457 0.083 1.00 0.00 H new ATOM 0 HE1 PHE A 78 86.721 -2.556 -0.273 1.00 0.00 H new ATOM 0 HE2 PHE A 78 85.315 -6.381 -1.519 1.00 0.00 H new ATOM 0 HZ PHE A 78 85.255 -3.927 -1.697 1.00 0.00 H new ATOM 1319 N GLU A 79 89.569 -8.756 0.224 1.00 0.00 N ATOM 1320 CA GLU A 79 89.597 -9.713 -0.869 1.00 0.00 C ATOM 1321 C GLU A 79 88.195 -10.168 -1.238 1.00 0.00 C ATOM 1322 O GLU A 79 87.356 -10.404 -0.368 1.00 0.00 O ATOM 1323 CB GLU A 79 90.433 -10.928 -0.476 1.00 0.00 C ATOM 1324 CG GLU A 79 91.811 -10.571 0.051 1.00 0.00 C ATOM 1325 CD GLU A 79 92.537 -11.771 0.610 1.00 0.00 C ATOM 1326 OE1 GLU A 79 91.975 -12.454 1.487 1.00 0.00 O ATOM 1327 OE2 GLU A 79 93.678 -12.035 0.181 1.00 0.00 O ATOM 0 H GLU A 79 89.277 -9.146 1.120 1.00 0.00 H new ATOM 0 HA GLU A 79 90.042 -9.220 -1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 79 89.898 -11.496 0.285 1.00 0.00 H new ATOM 0 HB3 GLU A 79 90.542 -11.580 -1.343 1.00 0.00 H new ATOM 0 HG2 GLU A 79 92.403 -10.132 -0.752 1.00 0.00 H new ATOM 0 HG3 GLU A 79 91.716 -9.812 0.828 1.00 0.00 H new ATOM 1334 N THR A 80 87.950 -10.282 -2.529 1.00 0.00 N ATOM 1335 CA THR A 80 86.704 -10.837 -3.019 1.00 0.00 C ATOM 1336 C THR A 80 86.876 -12.332 -3.277 1.00 0.00 C ATOM 1337 O THR A 80 88.000 -12.842 -3.257 1.00 0.00 O ATOM 1338 CB THR A 80 86.262 -10.136 -4.316 1.00 0.00 C ATOM 1339 OG1 THR A 80 87.324 -10.176 -5.281 1.00 0.00 O ATOM 1340 CG2 THR A 80 85.875 -8.690 -4.046 1.00 0.00 C ATOM 0 H THR A 80 88.601 -9.996 -3.260 1.00 0.00 H new ATOM 0 HA THR A 80 85.935 -10.679 -2.263 1.00 0.00 H new ATOM 0 HB THR A 80 85.392 -10.662 -4.708 1.00 0.00 H new ATOM 0 HG1 THR A 80 88.031 -9.551 -5.016 1.00 0.00 H new ATOM 0 HG21 THR A 80 85.566 -8.216 -4.978 1.00 0.00 H new ATOM 0 HG22 THR A 80 85.051 -8.661 -3.334 1.00 0.00 H new ATOM 0 HG23 THR A 80 86.730 -8.155 -3.633 1.00 0.00 H new ATOM 1348 N LEU A 81 85.779 -13.036 -3.527 1.00 0.00 N ATOM 1349 CA LEU A 81 85.849 -14.463 -3.825 1.00 0.00 C ATOM 1350 C LEU A 81 86.378 -14.676 -5.241 1.00 0.00 C ATOM 1351 O LEU A 81 86.713 -15.792 -5.636 1.00 0.00 O ATOM 1352 CB LEU A 81 84.478 -15.140 -3.669 1.00 0.00 C ATOM 1353 CG LEU A 81 83.944 -15.260 -2.234 1.00 0.00 C ATOM 1354 CD1 LEU A 81 83.531 -13.905 -1.678 1.00 0.00 C ATOM 1355 CD2 LEU A 81 82.774 -16.229 -2.189 1.00 0.00 C ATOM 0 H LEU A 81 84.836 -12.647 -3.530 1.00 0.00 H new ATOM 0 HA LEU A 81 86.532 -14.921 -3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 81 83.751 -14.583 -4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 81 84.538 -16.140 -4.098 1.00 0.00 H new ATOM 0 HG LEU A 81 84.749 -15.644 -1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 81 83.158 -14.027 -0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 81 84.392 -13.237 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 81 82.746 -13.479 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 81 82.404 -16.306 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 81 81.976 -15.867 -2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 81 83.101 -17.211 -2.531 1.00 0.00 H new ATOM 1367 N ASP A 82 86.467 -13.582 -5.987 1.00 0.00 N ATOM 1368 CA ASP A 82 86.936 -13.613 -7.367 1.00 0.00 C ATOM 1369 C ASP A 82 88.447 -13.367 -7.429 1.00 0.00 C ATOM 1370 O ASP A 82 89.017 -13.157 -8.498 1.00 0.00 O ATOM 1371 CB ASP A 82 86.177 -12.564 -8.188 1.00 0.00 C ATOM 1372 CG ASP A 82 86.485 -12.630 -9.671 1.00 0.00 C ATOM 1373 OD1 ASP A 82 86.360 -13.727 -10.261 1.00 0.00 O ATOM 1374 OD2 ASP A 82 86.838 -11.584 -10.249 1.00 0.00 O ATOM 0 H ASP A 82 86.217 -12.651 -5.654 1.00 0.00 H new ATOM 0 HA ASP A 82 86.743 -14.599 -7.789 1.00 0.00 H new ATOM 0 HB2 ASP A 82 85.106 -12.701 -8.039 1.00 0.00 H new ATOM 0 HB3 ASP A 82 86.426 -11.570 -7.815 1.00 0.00 H new ATOM 1379 N ASN A 83 89.089 -13.401 -6.259 1.00 0.00 N ATOM 1380 CA ASN A 83 90.547 -13.264 -6.143 1.00 0.00 C ATOM 1381 C ASN A 83 91.005 -11.853 -6.495 1.00 0.00 C ATOM 1382 O ASN A 83 92.174 -11.629 -6.817 1.00 0.00 O ATOM 1383 CB ASN A 83 91.281 -14.283 -7.029 1.00 0.00 C ATOM 1384 CG ASN A 83 90.980 -15.721 -6.651 1.00 0.00 C ATOM 1385 OD1 ASN A 83 91.613 -16.284 -5.759 1.00 0.00 O ATOM 1386 ND2 ASN A 83 90.029 -16.332 -7.342 1.00 0.00 N ATOM 0 H ASN A 83 88.615 -13.524 -5.364 1.00 0.00 H new ATOM 0 HA ASN A 83 90.799 -13.463 -5.101 1.00 0.00 H new ATOM 0 HB2 ASN A 83 91.001 -14.120 -8.070 1.00 0.00 H new ATOM 0 HB3 ASN A 83 92.355 -14.111 -6.958 1.00 0.00 H new ATOM 0 HD21 ASN A 83 89.798 -17.305 -7.142 1.00 0.00 H new ATOM 0 HD22 ASN A 83 89.527 -15.829 -8.074 1.00 0.00 H new ATOM 1393 N VAL A 84 90.088 -10.902 -6.422 1.00 0.00 N ATOM 1394 CA VAL A 84 90.413 -9.512 -6.690 1.00 0.00 C ATOM 1395 C VAL A 84 90.557 -8.743 -5.383 1.00 0.00 C ATOM 1396 O VAL A 84 89.660 -8.764 -4.537 1.00 0.00 O ATOM 1397 CB VAL A 84 89.342 -8.836 -7.570 1.00 0.00 C ATOM 1398 CG1 VAL A 84 89.736 -7.405 -7.894 1.00 0.00 C ATOM 1399 CG2 VAL A 84 89.120 -9.630 -8.848 1.00 0.00 C ATOM 0 H VAL A 84 89.111 -11.068 -6.179 1.00 0.00 H new ATOM 0 HA VAL A 84 91.359 -9.496 -7.232 1.00 0.00 H new ATOM 0 HB VAL A 84 88.407 -8.815 -7.011 1.00 0.00 H new ATOM 0 HG11 VAL A 84 88.966 -6.948 -8.516 1.00 0.00 H new ATOM 0 HG12 VAL A 84 89.840 -6.838 -6.969 1.00 0.00 H new ATOM 0 HG13 VAL A 84 90.685 -7.401 -8.430 1.00 0.00 H new ATOM 0 HG21 VAL A 84 88.361 -9.137 -9.455 1.00 0.00 H new ATOM 0 HG22 VAL A 84 90.053 -9.686 -9.408 1.00 0.00 H new ATOM 0 HG23 VAL A 84 88.786 -10.637 -8.597 1.00 0.00 H new ATOM 1409 N ARG A 85 91.692 -8.081 -5.223 1.00 0.00 N ATOM 1410 CA ARG A 85 91.982 -7.314 -4.021 1.00 0.00 C ATOM 1411 C ARG A 85 91.612 -5.847 -4.222 1.00 0.00 C ATOM 1412 O ARG A 85 92.075 -5.211 -5.163 1.00 0.00 O ATOM 1413 CB ARG A 85 93.470 -7.428 -3.677 1.00 0.00 C ATOM 1414 CG ARG A 85 93.908 -8.831 -3.286 1.00 0.00 C ATOM 1415 CD ARG A 85 95.426 -8.951 -3.251 1.00 0.00 C ATOM 1416 NE ARG A 85 96.001 -9.025 -4.595 1.00 0.00 N ATOM 1417 CZ ARG A 85 96.884 -8.154 -5.089 1.00 0.00 C ATOM 1418 NH1 ARG A 85 97.295 -7.124 -4.359 1.00 0.00 N ATOM 1419 NH2 ARG A 85 97.368 -8.328 -6.314 1.00 0.00 N ATOM 0 H ARG A 85 92.436 -8.060 -5.920 1.00 0.00 H new ATOM 0 HA ARG A 85 91.389 -7.717 -3.200 1.00 0.00 H new ATOM 0 HB2 ARG A 85 94.057 -7.101 -4.535 1.00 0.00 H new ATOM 0 HB3 ARG A 85 93.696 -6.746 -2.857 1.00 0.00 H new ATOM 0 HG2 ARG A 85 93.499 -9.082 -2.307 1.00 0.00 H new ATOM 0 HG3 ARG A 85 93.501 -9.552 -3.995 1.00 0.00 H new ATOM 0 HD2 ARG A 85 95.845 -8.094 -2.724 1.00 0.00 H new ATOM 0 HD3 ARG A 85 95.707 -9.841 -2.687 1.00 0.00 H new ATOM 0 HE ARG A 85 95.707 -9.795 -5.196 1.00 0.00 H new ATOM 0 HH11 ARG A 85 96.936 -6.994 -3.413 1.00 0.00 H new ATOM 0 HH12 ARG A 85 97.970 -6.463 -4.744 1.00 0.00 H new ATOM 0 HH21 ARG A 85 97.065 -9.125 -6.874 1.00 0.00 H new ATOM 0 HH22 ARG A 85 98.043 -7.665 -6.695 1.00 0.00 H new ATOM 1433 N VAL A 86 90.774 -5.319 -3.346 1.00 0.00 N ATOM 1434 CA VAL A 86 90.413 -3.909 -3.399 1.00 0.00 C ATOM 1435 C VAL A 86 91.309 -3.121 -2.453 1.00 0.00 C ATOM 1436 O VAL A 86 91.170 -3.218 -1.235 1.00 0.00 O ATOM 1437 CB VAL A 86 88.934 -3.683 -3.030 1.00 0.00 C ATOM 1438 CG1 VAL A 86 88.579 -2.207 -3.116 1.00 0.00 C ATOM 1439 CG2 VAL A 86 88.029 -4.504 -3.936 1.00 0.00 C ATOM 0 H VAL A 86 90.331 -5.842 -2.591 1.00 0.00 H new ATOM 0 HA VAL A 86 90.554 -3.562 -4.423 1.00 0.00 H new ATOM 0 HB VAL A 86 88.782 -4.011 -2.002 1.00 0.00 H new ATOM 0 HG11 VAL A 86 87.531 -2.069 -2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 86 89.205 -1.641 -2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 86 88.747 -1.851 -4.132 1.00 0.00 H new ATOM 0 HG21 VAL A 86 86.988 -4.333 -3.662 1.00 0.00 H new ATOM 0 HG22 VAL A 86 88.185 -4.206 -4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 86 88.265 -5.562 -3.823 1.00 0.00 H new ATOM 1449 N VAL A 87 92.229 -2.356 -3.030 1.00 0.00 N ATOM 1450 CA VAL A 87 93.288 -1.704 -2.265 1.00 0.00 C ATOM 1451 C VAL A 87 93.027 -0.206 -2.106 1.00 0.00 C ATOM 1452 O VAL A 87 92.586 0.466 -3.044 1.00 0.00 O ATOM 1453 CB VAL A 87 94.665 -1.906 -2.941 1.00 0.00 C ATOM 1454 CG1 VAL A 87 95.789 -1.362 -2.068 1.00 0.00 C ATOM 1455 CG2 VAL A 87 94.900 -3.377 -3.260 1.00 0.00 C ATOM 0 H VAL A 87 92.263 -2.171 -4.032 1.00 0.00 H new ATOM 0 HA VAL A 87 93.295 -2.168 -1.279 1.00 0.00 H new ATOM 0 HB VAL A 87 94.663 -1.347 -3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 87 96.745 -1.517 -2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 87 95.636 -0.296 -1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 87 95.791 -1.883 -1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 87 95.874 -3.495 -3.735 1.00 0.00 H new ATOM 0 HG22 VAL A 87 94.873 -3.958 -2.338 1.00 0.00 H new ATOM 0 HG23 VAL A 87 94.122 -3.732 -3.936 1.00 0.00 H new ATOM 1465 N THR A 88 93.294 0.299 -0.908 1.00 0.00 N ATOM 1466 CA THR A 88 93.172 1.717 -0.597 1.00 0.00 C ATOM 1467 C THR A 88 94.144 2.073 0.538 1.00 0.00 C ATOM 1468 O THR A 88 94.566 1.196 1.287 1.00 0.00 O ATOM 1469 CB THR A 88 91.718 2.054 -0.196 1.00 0.00 C ATOM 1470 OG1 THR A 88 90.835 1.708 -1.269 1.00 0.00 O ATOM 1471 CG2 THR A 88 91.546 3.526 0.133 1.00 0.00 C ATOM 0 H THR A 88 93.604 -0.269 -0.119 1.00 0.00 H new ATOM 0 HA THR A 88 93.424 2.305 -1.479 1.00 0.00 H new ATOM 0 HB THR A 88 91.480 1.478 0.698 1.00 0.00 H new ATOM 0 HG1 THR A 88 90.075 1.199 -0.916 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.509 3.718 0.409 1.00 0.00 H new ATOM 0 HG22 THR A 88 92.199 3.792 0.965 1.00 0.00 H new ATOM 0 HG23 THR A 88 91.806 4.126 -0.739 1.00 0.00 H new ATOM 1479 N ASP A 89 94.527 3.339 0.655 1.00 0.00 N ATOM 1480 CA ASP A 89 95.479 3.748 1.686 1.00 0.00 C ATOM 1481 C ASP A 89 94.889 3.652 3.086 1.00 0.00 C ATOM 1482 O ASP A 89 93.856 4.251 3.388 1.00 0.00 O ATOM 1483 CB ASP A 89 95.992 5.161 1.436 1.00 0.00 C ATOM 1484 CG ASP A 89 97.198 5.165 0.527 1.00 0.00 C ATOM 1485 OD1 ASP A 89 98.331 5.028 1.039 1.00 0.00 O ATOM 1486 OD2 ASP A 89 97.022 5.283 -0.701 1.00 0.00 O ATOM 0 H ASP A 89 94.198 4.096 0.056 1.00 0.00 H new ATOM 0 HA ASP A 89 96.316 3.052 1.626 1.00 0.00 H new ATOM 0 HB2 ASP A 89 95.199 5.763 0.991 1.00 0.00 H new ATOM 0 HB3 ASP A 89 96.251 5.628 2.386 1.00 0.00 H new ATOM 1491 N TYR A 90 95.581 2.909 3.942 1.00 0.00 N ATOM 1492 CA TYR A 90 95.145 2.689 5.315 1.00 0.00 C ATOM 1493 C TYR A 90 95.240 3.982 6.113 1.00 0.00 C ATOM 1494 O TYR A 90 94.420 4.234 6.990 1.00 0.00 O ATOM 1495 CB TYR A 90 95.999 1.588 5.959 1.00 0.00 C ATOM 1496 CG TYR A 90 95.448 1.035 7.256 1.00 0.00 C ATOM 1497 CD1 TYR A 90 94.088 0.797 7.416 1.00 0.00 C ATOM 1498 CD2 TYR A 90 96.293 0.739 8.318 1.00 0.00 C ATOM 1499 CE1 TYR A 90 93.588 0.283 8.597 1.00 0.00 C ATOM 1500 CE2 TYR A 90 95.801 0.222 9.500 1.00 0.00 C ATOM 1501 CZ TYR A 90 94.448 -0.003 9.635 1.00 0.00 C ATOM 1502 OH TYR A 90 93.953 -0.522 10.812 1.00 0.00 O ATOM 0 H TYR A 90 96.457 2.444 3.705 1.00 0.00 H new ATOM 0 HA TYR A 90 94.103 2.368 5.313 1.00 0.00 H new ATOM 0 HB2 TYR A 90 96.107 0.769 5.248 1.00 0.00 H new ATOM 0 HB3 TYR A 90 96.998 1.984 6.144 1.00 0.00 H new ATOM 0 HD1 TYR A 90 93.411 1.017 6.604 1.00 0.00 H new ATOM 0 HD2 TYR A 90 97.354 0.916 8.217 1.00 0.00 H new ATOM 0 HE1 TYR A 90 92.528 0.106 8.706 1.00 0.00 H new ATOM 0 HE2 TYR A 90 96.473 -0.005 10.315 1.00 0.00 H new ATOM 0 HH TYR A 90 94.690 -0.668 11.441 1.00 0.00 H new ATOM 1512 N SER A 91 96.221 4.811 5.777 1.00 0.00 N ATOM 1513 CA SER A 91 96.397 6.101 6.430 1.00 0.00 C ATOM 1514 C SER A 91 95.129 6.952 6.313 1.00 0.00 C ATOM 1515 O SER A 91 94.710 7.602 7.274 1.00 0.00 O ATOM 1516 CB SER A 91 97.581 6.835 5.800 1.00 0.00 C ATOM 1517 OG SER A 91 98.700 5.972 5.671 1.00 0.00 O ATOM 0 H SER A 91 96.910 4.611 5.052 1.00 0.00 H new ATOM 0 HA SER A 91 96.594 5.931 7.489 1.00 0.00 H new ATOM 0 HB2 SER A 91 97.297 7.218 4.820 1.00 0.00 H new ATOM 0 HB3 SER A 91 97.849 7.695 6.413 1.00 0.00 H new ATOM 0 HG SER A 91 99.445 6.461 5.264 1.00 0.00 H new ATOM 1523 N GLU A 92 94.512 6.927 5.137 1.00 0.00 N ATOM 1524 CA GLU A 92 93.308 7.706 4.891 1.00 0.00 C ATOM 1525 C GLU A 92 92.074 6.965 5.387 1.00 0.00 C ATOM 1526 O GLU A 92 91.096 7.584 5.802 1.00 0.00 O ATOM 1527 CB GLU A 92 93.183 8.029 3.405 1.00 0.00 C ATOM 1528 CG GLU A 92 94.318 8.893 2.890 1.00 0.00 C ATOM 1529 CD GLU A 92 94.174 9.243 1.428 1.00 0.00 C ATOM 1530 OE1 GLU A 92 93.416 10.179 1.110 1.00 0.00 O ATOM 1531 OE2 GLU A 92 94.834 8.594 0.589 1.00 0.00 O ATOM 0 H GLU A 92 94.827 6.375 4.340 1.00 0.00 H new ATOM 0 HA GLU A 92 93.383 8.642 5.444 1.00 0.00 H new ATOM 0 HB2 GLU A 92 93.155 7.099 2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 92 92.236 8.539 3.228 1.00 0.00 H new ATOM 0 HG2 GLU A 92 94.363 9.811 3.475 1.00 0.00 H new ATOM 0 HG3 GLU A 92 95.263 8.371 3.042 1.00 0.00 H new ATOM 1538 N PHE A 93 92.126 5.639 5.349 1.00 0.00 N ATOM 1539 CA PHE A 93 91.049 4.817 5.888 1.00 0.00 C ATOM 1540 C PHE A 93 90.913 5.059 7.391 1.00 0.00 C ATOM 1541 O PHE A 93 89.813 5.283 7.904 1.00 0.00 O ATOM 1542 CB PHE A 93 91.324 3.339 5.603 1.00 0.00 C ATOM 1543 CG PHE A 93 90.257 2.417 6.113 1.00 0.00 C ATOM 1544 CD1 PHE A 93 89.017 2.369 5.500 1.00 0.00 C ATOM 1545 CD2 PHE A 93 90.497 1.598 7.203 1.00 0.00 C ATOM 1546 CE1 PHE A 93 88.034 1.518 5.967 1.00 0.00 C ATOM 1547 CE2 PHE A 93 89.519 0.747 7.674 1.00 0.00 C ATOM 1548 CZ PHE A 93 88.287 0.707 7.055 1.00 0.00 C ATOM 0 H PHE A 93 92.902 5.110 4.951 1.00 0.00 H new ATOM 0 HA PHE A 93 90.112 5.093 5.405 1.00 0.00 H new ATOM 0 HB2 PHE A 93 91.429 3.199 4.527 1.00 0.00 H new ATOM 0 HB3 PHE A 93 92.277 3.062 6.054 1.00 0.00 H new ATOM 0 HD1 PHE A 93 88.816 3.003 4.649 1.00 0.00 H new ATOM 0 HD2 PHE A 93 91.461 1.626 7.690 1.00 0.00 H new ATOM 0 HE1 PHE A 93 87.070 1.487 5.482 1.00 0.00 H new ATOM 0 HE2 PHE A 93 89.717 0.113 8.526 1.00 0.00 H new ATOM 0 HZ PHE A 93 87.520 0.041 7.422 1.00 0.00 H new ATOM 1558 N GLN A 94 92.049 5.023 8.082 1.00 0.00 N ATOM 1559 CA GLN A 94 92.112 5.346 9.502 1.00 0.00 C ATOM 1560 C GLN A 94 91.595 6.760 9.745 1.00 0.00 C ATOM 1561 O GLN A 94 90.870 7.014 10.708 1.00 0.00 O ATOM 1562 CB GLN A 94 93.556 5.237 9.993 1.00 0.00 C ATOM 1563 CG GLN A 94 94.086 3.815 10.064 1.00 0.00 C ATOM 1564 CD GLN A 94 95.571 3.775 10.371 1.00 0.00 C ATOM 1565 OE1 GLN A 94 96.406 3.797 9.467 1.00 0.00 O ATOM 1566 NE2 GLN A 94 95.914 3.715 11.649 1.00 0.00 N ATOM 0 H GLN A 94 92.949 4.770 7.674 1.00 0.00 H new ATOM 0 HA GLN A 94 91.487 4.641 10.051 1.00 0.00 H new ATOM 0 HB2 GLN A 94 94.197 5.819 9.331 1.00 0.00 H new ATOM 0 HB3 GLN A 94 93.626 5.688 10.983 1.00 0.00 H new ATOM 0 HG2 GLN A 94 93.543 3.264 10.831 1.00 0.00 H new ATOM 0 HG3 GLN A 94 93.898 3.311 9.116 1.00 0.00 H new ATOM 0 HE21 GLN A 94 95.193 3.699 12.370 1.00 0.00 H new ATOM 0 HE22 GLN A 94 96.899 3.685 11.912 1.00 0.00 H new ATOM 1575 N LYS A 95 91.974 7.667 8.851 1.00 0.00 N ATOM 1576 CA LYS A 95 91.554 9.063 8.916 1.00 0.00 C ATOM 1577 C LYS A 95 90.028 9.180 8.918 1.00 0.00 C ATOM 1578 O LYS A 95 89.461 9.925 9.714 1.00 0.00 O ATOM 1579 CB LYS A 95 92.156 9.824 7.729 1.00 0.00 C ATOM 1580 CG LYS A 95 91.769 11.290 7.640 1.00 0.00 C ATOM 1581 CD LYS A 95 92.462 11.957 6.459 1.00 0.00 C ATOM 1582 CE LYS A 95 92.054 13.413 6.294 1.00 0.00 C ATOM 1583 NZ LYS A 95 92.349 14.219 7.508 1.00 0.00 N ATOM 0 H LYS A 95 92.582 7.455 8.060 1.00 0.00 H new ATOM 0 HA LYS A 95 91.915 9.500 9.847 1.00 0.00 H new ATOM 0 HB2 LYS A 95 93.242 9.754 7.786 1.00 0.00 H new ATOM 0 HB3 LYS A 95 91.852 9.328 6.807 1.00 0.00 H new ATOM 0 HG2 LYS A 95 90.688 11.380 7.533 1.00 0.00 H new ATOM 0 HG3 LYS A 95 92.041 11.800 8.564 1.00 0.00 H new ATOM 0 HD2 LYS A 95 93.542 11.898 6.594 1.00 0.00 H new ATOM 0 HD3 LYS A 95 92.225 11.410 5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 95 92.578 13.841 5.439 1.00 0.00 H new ATOM 0 HE3 LYS A 95 90.988 13.467 6.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 92.182 15.225 7.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 91.729 13.915 8.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 93.342 14.081 7.783 1.00 0.00 H new ATOM 1597 N ILE A 96 89.371 8.425 8.041 1.00 0.00 N ATOM 1598 CA ILE A 96 87.914 8.455 7.936 1.00 0.00 C ATOM 1599 C ILE A 96 87.258 7.935 9.213 1.00 0.00 C ATOM 1600 O ILE A 96 86.333 8.553 9.751 1.00 0.00 O ATOM 1601 CB ILE A 96 87.418 7.624 6.733 1.00 0.00 C ATOM 1602 CG1 ILE A 96 88.003 8.179 5.433 1.00 0.00 C ATOM 1603 CG2 ILE A 96 85.894 7.620 6.673 1.00 0.00 C ATOM 1604 CD1 ILE A 96 87.638 7.369 4.212 1.00 0.00 C ATOM 0 H ILE A 96 89.826 7.783 7.391 1.00 0.00 H new ATOM 0 HA ILE A 96 87.629 9.496 7.787 1.00 0.00 H new ATOM 0 HB ILE A 96 87.756 6.596 6.859 1.00 0.00 H new ATOM 0 HG12 ILE A 96 87.656 9.203 5.296 1.00 0.00 H new ATOM 0 HG13 ILE A 96 89.089 8.219 5.521 1.00 0.00 H new ATOM 0 HG21 ILE A 96 85.565 7.029 5.818 1.00 0.00 H new ATOM 0 HG22 ILE A 96 85.495 7.186 7.590 1.00 0.00 H new ATOM 0 HG23 ILE A 96 85.531 8.643 6.568 1.00 0.00 H new ATOM 0 HD11 ILE A 96 88.087 7.821 3.328 1.00 0.00 H new ATOM 0 HD12 ILE A 96 88.009 6.350 4.327 1.00 0.00 H new ATOM 0 HD13 ILE A 96 86.554 7.350 4.099 1.00 0.00 H new ATOM 1616 N LEU A 97 87.747 6.804 9.699 1.00 0.00 N ATOM 1617 CA LEU A 97 87.199 6.193 10.901 1.00 0.00 C ATOM 1618 C LEU A 97 87.322 7.134 12.092 1.00 0.00 C ATOM 1619 O LEU A 97 86.339 7.416 12.777 1.00 0.00 O ATOM 1620 CB LEU A 97 87.909 4.872 11.205 1.00 0.00 C ATOM 1621 CG LEU A 97 87.699 3.766 10.172 1.00 0.00 C ATOM 1622 CD1 LEU A 97 88.466 2.519 10.570 1.00 0.00 C ATOM 1623 CD2 LEU A 97 86.218 3.455 10.016 1.00 0.00 C ATOM 0 H LEU A 97 88.522 6.291 9.280 1.00 0.00 H new ATOM 0 HA LEU A 97 86.142 5.993 10.723 1.00 0.00 H new ATOM 0 HB2 LEU A 97 88.978 5.065 11.294 1.00 0.00 H new ATOM 0 HB3 LEU A 97 87.568 4.510 12.175 1.00 0.00 H new ATOM 0 HG LEU A 97 88.079 4.114 9.211 1.00 0.00 H new ATOM 0 HD11 LEU A 97 88.306 1.740 9.824 1.00 0.00 H new ATOM 0 HD12 LEU A 97 89.529 2.750 10.631 1.00 0.00 H new ATOM 0 HD13 LEU A 97 88.114 2.170 11.541 1.00 0.00 H new ATOM 0 HD21 LEU A 97 86.088 2.665 9.276 1.00 0.00 H new ATOM 0 HD22 LEU A 97 85.812 3.126 10.973 1.00 0.00 H new ATOM 0 HD23 LEU A 97 85.691 4.351 9.687 1.00 0.00 H new ATOM 1635 N LYS A 98 88.523 7.650 12.313 1.00 0.00 N ATOM 1636 CA LYS A 98 88.787 8.467 13.486 1.00 0.00 C ATOM 1637 C LYS A 98 88.146 9.848 13.383 1.00 0.00 C ATOM 1638 O LYS A 98 87.806 10.445 14.404 1.00 0.00 O ATOM 1639 CB LYS A 98 90.289 8.600 13.726 1.00 0.00 C ATOM 1640 CG LYS A 98 90.971 7.277 14.027 1.00 0.00 C ATOM 1641 CD LYS A 98 92.380 7.487 14.551 1.00 0.00 C ATOM 1642 CE LYS A 98 93.060 6.167 14.857 1.00 0.00 C ATOM 1643 NZ LYS A 98 94.327 6.360 15.611 1.00 0.00 N ATOM 0 H LYS A 98 89.326 7.518 11.698 1.00 0.00 H new ATOM 0 HA LYS A 98 88.334 7.957 14.336 1.00 0.00 H new ATOM 0 HB2 LYS A 98 90.752 9.047 12.846 1.00 0.00 H new ATOM 0 HB3 LYS A 98 90.457 9.285 14.557 1.00 0.00 H new ATOM 0 HG2 LYS A 98 90.387 6.724 14.762 1.00 0.00 H new ATOM 0 HG3 LYS A 98 91.004 6.669 13.123 1.00 0.00 H new ATOM 0 HD2 LYS A 98 92.965 8.037 13.814 1.00 0.00 H new ATOM 0 HD3 LYS A 98 92.347 8.098 15.453 1.00 0.00 H new ATOM 0 HE2 LYS A 98 92.385 5.536 15.436 1.00 0.00 H new ATOM 0 HE3 LYS A 98 93.268 5.641 13.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 94.762 5.435 15.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 94.981 6.941 15.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 94.125 6.839 16.512 1.00 0.00 H new ATOM 1657 N LYS A 99 87.970 10.355 12.167 1.00 0.00 N ATOM 1658 CA LYS A 99 87.367 11.673 11.993 1.00 0.00 C ATOM 1659 C LYS A 99 85.881 11.626 12.338 1.00 0.00 C ATOM 1660 O LYS A 99 85.314 12.618 12.795 1.00 0.00 O ATOM 1661 CB LYS A 99 87.585 12.217 10.574 1.00 0.00 C ATOM 1662 CG LYS A 99 86.739 11.560 9.497 1.00 0.00 C ATOM 1663 CD LYS A 99 87.147 12.034 8.114 1.00 0.00 C ATOM 1664 CE LYS A 99 86.218 11.503 7.034 1.00 0.00 C ATOM 1665 NZ LYS A 99 84.873 12.131 7.097 1.00 0.00 N ATOM 0 H LYS A 99 88.231 9.884 11.301 1.00 0.00 H new ATOM 0 HA LYS A 99 87.863 12.359 12.679 1.00 0.00 H new ATOM 0 HB2 LYS A 99 87.377 13.287 10.576 1.00 0.00 H new ATOM 0 HB3 LYS A 99 88.636 12.097 10.313 1.00 0.00 H new ATOM 0 HG2 LYS A 99 86.844 10.477 9.559 1.00 0.00 H new ATOM 0 HG3 LYS A 99 85.687 11.789 9.667 1.00 0.00 H new ATOM 0 HD2 LYS A 99 87.147 13.124 8.089 1.00 0.00 H new ATOM 0 HD3 LYS A 99 88.167 11.711 7.906 1.00 0.00 H new ATOM 0 HE2 LYS A 99 86.659 11.688 6.054 1.00 0.00 H new ATOM 0 HE3 LYS A 99 86.119 10.423 7.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 84.323 11.858 6.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 84.380 11.810 7.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 84.974 13.166 7.123 1.00 0.00 H new ATOM 1679 N ARG A 100 85.254 10.470 12.126 1.00 0.00 N ATOM 1680 CA ARG A 100 83.876 10.279 12.563 1.00 0.00 C ATOM 1681 C ARG A 100 83.844 10.001 14.059 1.00 0.00 C ATOM 1682 O ARG A 100 83.006 10.536 14.786 1.00 0.00 O ATOM 1683 CB ARG A 100 83.203 9.116 11.831 1.00 0.00 C ATOM 1684 CG ARG A 100 83.180 9.242 10.318 1.00 0.00 C ATOM 1685 CD ARG A 100 82.122 8.331 9.714 1.00 0.00 C ATOM 1686 NE ARG A 100 82.149 6.993 10.311 1.00 0.00 N ATOM 1687 CZ ARG A 100 81.124 6.459 10.983 1.00 0.00 C ATOM 1688 NH1 ARG A 100 79.964 7.102 11.061 1.00 0.00 N ATOM 1689 NH2 ARG A 100 81.257 5.270 11.559 1.00 0.00 N ATOM 0 H ARG A 100 85.672 9.664 11.661 1.00 0.00 H new ATOM 0 HA ARG A 100 83.330 11.194 12.332 1.00 0.00 H new ATOM 0 HB2 ARG A 100 83.717 8.192 12.097 1.00 0.00 H new ATOM 0 HB3 ARG A 100 82.178 9.025 12.189 1.00 0.00 H new ATOM 0 HG2 ARG A 100 82.978 10.276 10.038 1.00 0.00 H new ATOM 0 HG3 ARG A 100 84.159 8.987 9.913 1.00 0.00 H new ATOM 0 HD2 ARG A 100 81.136 8.773 9.859 1.00 0.00 H new ATOM 0 HD3 ARG A 100 82.281 8.252 8.639 1.00 0.00 H new ATOM 0 HE ARG A 100 82.998 6.437 10.208 1.00 0.00 H new ATOM 0 HH11 ARG A 100 79.852 8.008 10.607 1.00 0.00 H new ATOM 0 HH12 ARG A 100 79.186 6.689 11.575 1.00 0.00 H new ATOM 0 HH21 ARG A 100 82.140 4.765 11.489 1.00 0.00 H new ATOM 0 HH22 ARG A 100 80.476 4.862 12.072 1.00 0.00 H new ATOM 1703 N GLY A 101 84.765 9.157 14.507 1.00 0.00 N ATOM 1704 CA GLY A 101 84.823 8.790 15.907 1.00 0.00 C ATOM 1705 C GLY A 101 84.773 7.287 16.108 1.00 0.00 C ATOM 1706 O GLY A 101 84.327 6.805 17.151 1.00 0.00 O ATOM 0 H GLY A 101 85.476 8.719 13.921 1.00 0.00 H new ATOM 0 HA2 GLY A 101 85.740 9.183 16.346 1.00 0.00 H new ATOM 0 HA3 GLY A 101 83.991 9.254 16.437 1.00 0.00 H new