USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 719 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 70 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 73 HIS : no HD1:sc= 0 X(o=0,f=0.1) USER MOD Set 2.1: A 36 GLN : amide:sc= -0.0228 K(o=-0.022,f=0.63) USER MOD Set 2.2: A 41 TYR OH : rot 61:sc= 0.00108 USER MOD Set 2.3: A 67 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 29 GLN : amide:sc= 1.54 K(o=2.2,f=0.12) USER MOD Set 3.2: A 32 THR OG1 : rot 167:sc= 0.63 USER MOD Set 4.1: A 12 ASN : amide:sc= -0.0407 X(o=-0.041,f=-0.45) USER MOD Set 4.2: A 16 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0229) USER MOD Set 5.1: A 13 SER OG : rot 180:sc= 0.623 USER MOD Set 5.2: A 17 GLN : amide:sc= 0.705 K(o=1.3,f=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0.436 K(o=0.44,f=-4.1!) USER MOD Single : A 8 LYS NZ :NH3+ 164:sc= 2.25 (180deg=1.76) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 26 CYS SG : rot 64:sc= 0.333 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0.667 X(o=0.67,f=1.1) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 42 SER OG : rot 77:sc= 1.23 USER MOD Single : A 43 ASN : amide:sc= -0.419 K(o=-0.42,f=-2.2) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -156:sc=-0.00192 (180deg=-0.857) USER MOD Single : A 50 LYS NZ :NH3+ -164:sc= 0.00655 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc=-0.00945 X(o=-0.0095,f=-0.0095) USER MOD Single : A 59 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.42) USER MOD Single : A 60 MET CE :methyl 167:sc= -0.0906 (180deg=-0.307) USER MOD Single : A 61 CYS SG : rot 78:sc= -0.171 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 63 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.014) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0132 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0.508 K(o=0.51,f=0) USER MOD Single : A 82 TYR OH : rot 130:sc= 0.564 USER MOD Single : A 88 GLN : amide:sc= 0.881 K(o=0.88,f=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 3 16.588 10.563 -9.988 1.00 0.00 N ATOM 31 CA GLN A 3 16.907 10.389 -8.557 1.00 0.00 C ATOM 32 C GLN A 3 15.652 10.390 -7.659 1.00 0.00 C ATOM 33 O GLN A 3 15.604 9.666 -6.665 1.00 0.00 O ATOM 34 CB GLN A 3 17.944 11.423 -8.093 1.00 0.00 C ATOM 35 CG GLN A 3 19.336 11.166 -8.703 1.00 0.00 C ATOM 36 CD GLN A 3 20.407 12.001 -8.009 1.00 0.00 C ATOM 37 OE1 GLN A 3 21.191 11.522 -7.194 1.00 0.00 O ATOM 38 NE2 GLN A 3 20.476 13.283 -8.274 1.00 0.00 N ATOM 0 HA GLN A 3 17.350 9.399 -8.450 1.00 0.00 H new ATOM 0 HB2 GLN A 3 17.607 12.422 -8.369 1.00 0.00 H new ATOM 0 HB3 GLN A 3 18.016 11.400 -7.006 1.00 0.00 H new ATOM 0 HG2 GLN A 3 19.584 10.108 -8.617 1.00 0.00 H new ATOM 0 HG3 GLN A 3 19.319 11.404 -9.767 1.00 0.00 H new ATOM 0 HE21 GLN A 3 19.834 13.700 -8.948 1.00 0.00 H new ATOM 0 HE22 GLN A 3 21.172 13.864 -7.806 1.00 0.00 H new ATOM 47 N PHE A 4 14.583 11.085 -8.050 1.00 0.00 N ATOM 48 CA PHE A 4 13.269 10.977 -7.395 1.00 0.00 C ATOM 49 C PHE A 4 12.551 9.659 -7.701 1.00 0.00 C ATOM 50 O PHE A 4 11.701 9.179 -6.941 1.00 0.00 O ATOM 51 CB PHE A 4 12.435 12.215 -7.744 1.00 0.00 C ATOM 52 CG PHE A 4 11.001 12.027 -8.230 1.00 0.00 C ATOM 53 CD1 PHE A 4 10.667 11.297 -9.397 1.00 0.00 C ATOM 54 CD2 PHE A 4 9.985 12.691 -7.526 1.00 0.00 C ATOM 55 CE1 PHE A 4 9.339 11.264 -9.855 1.00 0.00 C ATOM 56 CE2 PHE A 4 8.655 12.646 -7.977 1.00 0.00 C ATOM 57 CZ PHE A 4 8.332 11.948 -9.152 1.00 0.00 C ATOM 0 H PHE A 4 14.599 11.741 -8.831 1.00 0.00 H new ATOM 0 HA PHE A 4 13.418 10.952 -6.315 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.402 12.850 -6.859 1.00 0.00 H new ATOM 0 HB3 PHE A 4 12.973 12.769 -8.513 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.436 10.764 -9.937 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.227 13.242 -6.629 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.091 10.712 -10.749 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.879 13.149 -7.419 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.315 11.937 -9.514 1.00 0.00 H new ATOM 67 N GLU A 5 12.906 9.059 -8.829 1.00 0.00 N ATOM 68 CA GLU A 5 12.353 7.797 -9.286 1.00 0.00 C ATOM 69 C GLU A 5 13.069 6.597 -8.652 1.00 0.00 C ATOM 70 O GLU A 5 12.472 5.538 -8.455 1.00 0.00 O ATOM 71 CB GLU A 5 12.402 7.807 -10.821 1.00 0.00 C ATOM 72 CG GLU A 5 11.418 6.802 -11.393 1.00 0.00 C ATOM 73 CD GLU A 5 9.962 7.291 -11.361 1.00 0.00 C ATOM 74 OE1 GLU A 5 9.256 7.105 -12.380 1.00 0.00 O ATOM 75 OE2 GLU A 5 9.496 7.854 -10.344 1.00 0.00 O ATOM 0 H GLU A 5 13.603 9.447 -9.465 1.00 0.00 H new ATOM 0 HA GLU A 5 11.317 7.686 -8.966 1.00 0.00 H new ATOM 0 HB2 GLU A 5 12.168 8.805 -11.191 1.00 0.00 H new ATOM 0 HB3 GLU A 5 13.411 7.570 -11.160 1.00 0.00 H new ATOM 0 HG2 GLU A 5 11.696 6.578 -12.423 1.00 0.00 H new ATOM 0 HG3 GLU A 5 11.493 5.870 -10.832 1.00 0.00 H new ATOM 83 N LYS A 6 14.318 6.807 -8.230 1.00 0.00 N ATOM 84 CA LYS A 6 15.062 5.969 -7.290 1.00 0.00 C ATOM 85 C LYS A 6 14.500 6.077 -5.868 1.00 0.00 C ATOM 86 O LYS A 6 14.222 5.044 -5.254 1.00 0.00 O ATOM 87 CB LYS A 6 16.528 6.417 -7.371 1.00 0.00 C ATOM 88 CG LYS A 6 17.468 5.759 -6.354 1.00 0.00 C ATOM 89 CD LYS A 6 18.610 6.730 -6.025 1.00 0.00 C ATOM 90 CE LYS A 6 19.503 6.219 -4.891 1.00 0.00 C ATOM 91 NZ LYS A 6 20.272 7.339 -4.304 1.00 0.00 N ATOM 0 H LYS A 6 14.864 7.606 -8.551 1.00 0.00 H new ATOM 0 HA LYS A 6 14.972 4.915 -7.552 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.900 6.208 -8.374 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.569 7.498 -7.234 1.00 0.00 H new ATOM 0 HG2 LYS A 6 16.920 5.501 -5.447 1.00 0.00 H new ATOM 0 HG3 LYS A 6 17.869 4.830 -6.759 1.00 0.00 H new ATOM 0 HD2 LYS A 6 19.216 6.889 -6.917 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.192 7.697 -5.747 1.00 0.00 H new ATOM 0 HE2 LYS A 6 18.892 5.745 -4.123 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.186 5.458 -5.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.875 6.981 -3.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.868 7.773 -5.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.615 8.051 -3.926 1.00 0.00 H new ATOM 105 N GLN A 7 14.323 7.296 -5.339 1.00 0.00 N ATOM 106 CA GLN A 7 14.068 7.507 -3.907 1.00 0.00 C ATOM 107 C GLN A 7 12.710 6.967 -3.417 1.00 0.00 C ATOM 108 O GLN A 7 12.594 6.594 -2.252 1.00 0.00 O ATOM 109 CB GLN A 7 14.323 8.984 -3.530 1.00 0.00 C ATOM 110 CG GLN A 7 13.139 9.951 -3.635 1.00 0.00 C ATOM 111 CD GLN A 7 13.598 11.394 -3.417 1.00 0.00 C ATOM 112 OE1 GLN A 7 13.945 12.115 -4.338 1.00 0.00 O ATOM 113 NE2 GLN A 7 13.653 11.894 -2.209 1.00 0.00 N ATOM 0 H GLN A 7 14.352 8.156 -5.886 1.00 0.00 H new ATOM 0 HA GLN A 7 14.786 6.896 -3.361 1.00 0.00 H new ATOM 0 HB2 GLN A 7 14.691 9.012 -2.504 1.00 0.00 H new ATOM 0 HB3 GLN A 7 15.124 9.361 -4.166 1.00 0.00 H new ATOM 0 HG2 GLN A 7 12.672 9.857 -4.615 1.00 0.00 H new ATOM 0 HG3 GLN A 7 12.383 9.689 -2.895 1.00 0.00 H new ATOM 0 HE21 GLN A 7 13.372 11.327 -1.409 1.00 0.00 H new ATOM 0 HE22 GLN A 7 13.976 12.851 -2.067 1.00 0.00 H new ATOM 122 N LYS A 8 11.700 6.843 -4.297 1.00 0.00 N ATOM 123 CA LYS A 8 10.417 6.190 -3.950 1.00 0.00 C ATOM 124 C LYS A 8 10.522 4.659 -3.845 1.00 0.00 C ATOM 125 O LYS A 8 10.006 4.069 -2.899 1.00 0.00 O ATOM 126 CB LYS A 8 9.284 6.668 -4.881 1.00 0.00 C ATOM 127 CG LYS A 8 9.430 6.303 -6.368 1.00 0.00 C ATOM 128 CD LYS A 8 8.169 6.657 -7.180 1.00 0.00 C ATOM 129 CE LYS A 8 7.796 8.148 -7.213 1.00 0.00 C ATOM 130 NZ LYS A 8 8.827 8.936 -7.935 1.00 0.00 N ATOM 0 H LYS A 8 11.744 7.186 -5.257 1.00 0.00 H new ATOM 0 HA LYS A 8 10.155 6.510 -2.942 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.344 6.254 -4.517 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.208 7.752 -4.800 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.289 6.828 -6.787 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.632 5.236 -6.460 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.311 6.314 -8.205 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.327 6.099 -6.770 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.829 8.274 -7.700 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.692 8.524 -6.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.440 9.869 -8.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.661 9.057 -7.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.103 8.434 -8.803 1.00 0.00 H new ATOM 144 N GLU A 9 11.276 4.020 -4.743 1.00 0.00 N ATOM 145 CA GLU A 9 11.535 2.568 -4.700 1.00 0.00 C ATOM 146 C GLU A 9 12.473 2.192 -3.537 1.00 0.00 C ATOM 147 O GLU A 9 12.360 1.106 -2.960 1.00 0.00 O ATOM 148 CB GLU A 9 12.152 2.104 -6.030 1.00 0.00 C ATOM 149 CG GLU A 9 11.367 2.516 -7.286 1.00 0.00 C ATOM 150 CD GLU A 9 9.946 1.954 -7.349 1.00 0.00 C ATOM 151 OE1 GLU A 9 9.750 0.759 -7.037 1.00 0.00 O ATOM 152 OE2 GLU A 9 9.033 2.704 -7.763 1.00 0.00 O ATOM 0 H GLU A 9 11.728 4.492 -5.526 1.00 0.00 H new ATOM 0 HA GLU A 9 10.580 2.067 -4.541 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.163 2.504 -6.104 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.239 1.018 -6.014 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.318 3.604 -7.329 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.916 2.186 -8.168 1.00 0.00 H new ATOM 160 N GLN A 10 13.370 3.114 -3.169 1.00 0.00 N ATOM 161 CA GLN A 10 14.216 3.048 -1.977 1.00 0.00 C ATOM 162 C GLN A 10 13.377 3.186 -0.696 1.00 0.00 C ATOM 163 O GLN A 10 13.547 2.402 0.234 1.00 0.00 O ATOM 164 CB GLN A 10 15.275 4.159 -2.080 1.00 0.00 C ATOM 165 CG GLN A 10 16.412 4.031 -1.057 1.00 0.00 C ATOM 166 CD GLN A 10 17.331 5.253 -1.047 1.00 0.00 C ATOM 167 OE1 GLN A 10 17.204 6.185 -1.836 1.00 0.00 O ATOM 168 NE2 GLN A 10 18.285 5.305 -0.147 1.00 0.00 N ATOM 0 H GLN A 10 13.531 3.959 -3.717 1.00 0.00 H new ATOM 0 HA GLN A 10 14.709 2.077 -1.922 1.00 0.00 H new ATOM 0 HB2 GLN A 10 15.700 4.151 -3.084 1.00 0.00 H new ATOM 0 HB3 GLN A 10 14.788 5.125 -1.948 1.00 0.00 H new ATOM 0 HG2 GLN A 10 15.988 3.891 -0.063 1.00 0.00 H new ATOM 0 HG3 GLN A 10 16.999 3.141 -1.281 1.00 0.00 H new ATOM 0 HE21 GLN A 10 18.403 4.539 0.516 1.00 0.00 H new ATOM 0 HE22 GLN A 10 18.908 6.112 -0.110 1.00 0.00 H new ATOM 177 N GLY A 11 12.421 4.123 -0.672 1.00 0.00 N ATOM 178 CA GLY A 11 11.482 4.314 0.434 1.00 0.00 C ATOM 179 C GLY A 11 10.687 3.045 0.760 1.00 0.00 C ATOM 180 O GLY A 11 10.745 2.577 1.895 1.00 0.00 O ATOM 0 H GLY A 11 12.278 4.782 -1.438 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.031 4.632 1.320 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.789 5.117 0.183 1.00 0.00 H new ATOM 184 N ASN A 12 10.020 2.432 -0.227 1.00 0.00 N ATOM 185 CA ASN A 12 9.335 1.142 -0.040 1.00 0.00 C ATOM 186 C ASN A 12 10.295 0.060 0.472 1.00 0.00 C ATOM 187 O ASN A 12 9.984 -0.580 1.477 1.00 0.00 O ATOM 188 CB ASN A 12 8.637 0.728 -1.356 1.00 0.00 C ATOM 189 CG ASN A 12 7.926 -0.618 -1.248 1.00 0.00 C ATOM 190 OD1 ASN A 12 8.533 -1.674 -1.369 1.00 0.00 O ATOM 191 ND2 ASN A 12 6.638 -0.626 -0.980 1.00 0.00 N ATOM 0 H ASN A 12 9.939 2.811 -1.171 1.00 0.00 H new ATOM 0 HA ASN A 12 8.572 1.258 0.729 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.914 1.494 -1.636 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.377 0.680 -2.155 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.145 -1.512 -0.873 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.133 0.254 -0.879 1.00 0.00 H new ATOM 198 N SER A 13 11.465 -0.097 -0.154 1.00 0.00 N ATOM 199 CA SER A 13 12.478 -1.081 0.245 1.00 0.00 C ATOM 200 C SER A 13 12.913 -0.939 1.709 1.00 0.00 C ATOM 201 O SER A 13 12.923 -1.927 2.446 1.00 0.00 O ATOM 202 CB SER A 13 13.685 -0.943 -0.679 1.00 0.00 C ATOM 203 OG SER A 13 14.725 -1.798 -0.265 1.00 0.00 O ATOM 0 H SER A 13 11.740 0.462 -0.962 1.00 0.00 H new ATOM 0 HA SER A 13 12.032 -2.072 0.155 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.396 -1.182 -1.702 1.00 0.00 H new ATOM 0 HB3 SER A 13 14.034 0.090 -0.679 1.00 0.00 H new ATOM 0 HG SER A 13 15.490 -1.698 -0.869 1.00 0.00 H new ATOM 209 N LEU A 14 13.221 0.276 2.173 1.00 0.00 N ATOM 210 CA LEU A 14 13.697 0.523 3.540 1.00 0.00 C ATOM 211 C LEU A 14 12.672 0.108 4.614 1.00 0.00 C ATOM 212 O LEU A 14 13.073 -0.331 5.693 1.00 0.00 O ATOM 213 CB LEU A 14 14.100 2.003 3.668 1.00 0.00 C ATOM 214 CG LEU A 14 15.438 2.367 2.999 1.00 0.00 C ATOM 215 CD1 LEU A 14 15.550 3.882 2.844 1.00 0.00 C ATOM 216 CD2 LEU A 14 16.621 1.906 3.850 1.00 0.00 C ATOM 0 H LEU A 14 13.147 1.122 1.608 1.00 0.00 H new ATOM 0 HA LEU A 14 14.569 -0.105 3.721 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.313 2.619 3.233 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.157 2.260 4.726 1.00 0.00 H new ATOM 0 HG LEU A 14 15.462 1.872 2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.500 4.130 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 14 14.730 4.246 2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 14 15.501 4.353 3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.553 2.176 3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 14 16.577 2.388 4.826 1.00 0.00 H new ATOM 0 HD23 LEU A 14 16.578 0.824 3.978 1.00 0.00 H new ATOM 228 N PHE A 15 11.366 0.140 4.320 1.00 0.00 N ATOM 229 CA PHE A 15 10.351 -0.427 5.218 1.00 0.00 C ATOM 230 C PHE A 15 10.422 -1.960 5.322 1.00 0.00 C ATOM 231 O PHE A 15 10.279 -2.483 6.431 1.00 0.00 O ATOM 232 CB PHE A 15 8.945 0.017 4.812 1.00 0.00 C ATOM 233 CG PHE A 15 8.625 1.454 5.177 1.00 0.00 C ATOM 234 CD1 PHE A 15 8.361 1.785 6.517 1.00 0.00 C ATOM 235 CD2 PHE A 15 8.553 2.454 4.192 1.00 0.00 C ATOM 236 CE1 PHE A 15 8.111 3.116 6.886 1.00 0.00 C ATOM 237 CE2 PHE A 15 8.280 3.784 4.559 1.00 0.00 C ATOM 238 CZ PHE A 15 8.066 4.118 5.906 1.00 0.00 C ATOM 0 H PHE A 15 10.987 0.552 3.467 1.00 0.00 H new ATOM 0 HA PHE A 15 10.574 -0.034 6.210 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.832 -0.108 3.735 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.216 -0.639 5.287 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.350 1.009 7.269 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.707 2.201 3.153 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.953 3.368 7.924 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.235 4.552 3.801 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.868 5.142 6.186 1.00 0.00 H new ATOM 248 N LYS A 16 10.716 -2.692 4.235 1.00 0.00 N ATOM 249 CA LYS A 16 10.963 -4.154 4.329 1.00 0.00 C ATOM 250 C LYS A 16 12.172 -4.493 5.208 1.00 0.00 C ATOM 251 O LYS A 16 12.106 -5.458 5.972 1.00 0.00 O ATOM 252 CB LYS A 16 11.134 -4.839 2.960 1.00 0.00 C ATOM 253 CG LYS A 16 9.822 -4.962 2.174 1.00 0.00 C ATOM 254 CD LYS A 16 9.540 -3.720 1.326 1.00 0.00 C ATOM 255 CE LYS A 16 8.123 -3.178 1.509 1.00 0.00 C ATOM 256 NZ LYS A 16 7.126 -4.056 0.858 1.00 0.00 N ATOM 0 H LYS A 16 10.789 -2.310 3.292 1.00 0.00 H new ATOM 0 HA LYS A 16 10.059 -4.546 4.795 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.853 -4.275 2.367 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.555 -5.833 3.109 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.868 -5.839 1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.997 -5.121 2.869 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.257 -2.941 1.584 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.697 -3.962 0.275 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.898 -3.093 2.572 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.057 -2.175 1.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.196 -3.590 0.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.414 -4.240 -0.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.066 -4.956 1.375 1.00 0.00 H new ATOM 270 N GLN A 17 13.222 -3.666 5.162 1.00 0.00 N ATOM 271 CA GLN A 17 14.387 -3.752 6.072 1.00 0.00 C ATOM 272 C GLN A 17 14.106 -3.248 7.507 1.00 0.00 C ATOM 273 O GLN A 17 14.971 -3.345 8.377 1.00 0.00 O ATOM 274 CB GLN A 17 15.604 -2.995 5.501 1.00 0.00 C ATOM 275 CG GLN A 17 16.365 -3.734 4.387 1.00 0.00 C ATOM 276 CD GLN A 17 15.690 -3.603 3.033 1.00 0.00 C ATOM 277 OE1 GLN A 17 15.019 -4.508 2.548 1.00 0.00 O ATOM 278 NE2 GLN A 17 15.839 -2.479 2.376 1.00 0.00 N ATOM 0 H GLN A 17 13.295 -2.906 4.486 1.00 0.00 H new ATOM 0 HA GLN A 17 14.606 -4.818 6.141 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.266 -2.034 5.114 1.00 0.00 H new ATOM 0 HB3 GLN A 17 16.297 -2.784 6.316 1.00 0.00 H new ATOM 0 HG2 GLN A 17 17.380 -3.341 4.323 1.00 0.00 H new ATOM 0 HG3 GLN A 17 16.448 -4.789 4.647 1.00 0.00 H new ATOM 0 HE21 GLN A 17 16.396 -1.724 2.776 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.398 -2.359 1.464 1.00 0.00 H new ATOM 287 N GLY A 18 12.930 -2.676 7.784 1.00 0.00 N ATOM 288 CA GLY A 18 12.597 -2.140 9.110 1.00 0.00 C ATOM 289 C GLY A 18 13.257 -0.794 9.451 1.00 0.00 C ATOM 290 O GLY A 18 13.208 -0.373 10.609 1.00 0.00 O ATOM 0 H GLY A 18 12.183 -2.571 7.098 1.00 0.00 H new ATOM 0 HA2 GLY A 18 11.515 -2.025 9.177 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.887 -2.871 9.864 1.00 0.00 H new ATOM 294 N LEU A 19 13.866 -0.117 8.470 1.00 0.00 N ATOM 295 CA LEU A 19 14.579 1.163 8.593 1.00 0.00 C ATOM 296 C LEU A 19 13.610 2.337 8.434 1.00 0.00 C ATOM 297 O LEU A 19 13.789 3.208 7.584 1.00 0.00 O ATOM 298 CB LEU A 19 15.752 1.176 7.588 1.00 0.00 C ATOM 299 CG LEU A 19 16.960 0.326 8.022 1.00 0.00 C ATOM 300 CD1 LEU A 19 17.918 0.137 6.846 1.00 0.00 C ATOM 301 CD2 LEU A 19 17.732 1.013 9.153 1.00 0.00 C ATOM 0 H LEU A 19 13.876 -0.468 7.512 1.00 0.00 H new ATOM 0 HA LEU A 19 15.006 1.276 9.590 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.394 0.815 6.624 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.079 2.205 7.441 1.00 0.00 H new ATOM 0 HG LEU A 19 16.580 -0.636 8.366 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.769 -0.466 7.163 1.00 0.00 H new ATOM 0 HD12 LEU A 19 17.399 -0.368 6.032 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.270 1.110 6.503 1.00 0.00 H new ATOM 0 HD21 LEU A 19 18.581 0.394 9.443 1.00 0.00 H new ATOM 0 HD22 LEU A 19 18.091 1.984 8.811 1.00 0.00 H new ATOM 0 HD23 LEU A 19 17.074 1.151 10.011 1.00 0.00 H new ATOM 313 N TYR A 20 12.548 2.343 9.239 1.00 0.00 N ATOM 314 CA TYR A 20 11.417 3.271 9.112 1.00 0.00 C ATOM 315 C TYR A 20 11.855 4.747 9.143 1.00 0.00 C ATOM 316 O TYR A 20 11.312 5.561 8.400 1.00 0.00 O ATOM 317 CB TYR A 20 10.390 2.985 10.225 1.00 0.00 C ATOM 318 CG TYR A 20 9.706 1.621 10.254 1.00 0.00 C ATOM 319 CD1 TYR A 20 9.927 0.650 9.254 1.00 0.00 C ATOM 320 CD2 TYR A 20 8.797 1.334 11.294 1.00 0.00 C ATOM 321 CE1 TYR A 20 9.237 -0.576 9.287 1.00 0.00 C ATOM 322 CE2 TYR A 20 8.105 0.106 11.330 1.00 0.00 C ATOM 323 CZ TYR A 20 8.323 -0.857 10.323 1.00 0.00 C ATOM 324 OH TYR A 20 7.667 -2.050 10.344 1.00 0.00 O ATOM 0 H TYR A 20 12.445 1.690 10.016 1.00 0.00 H new ATOM 0 HA TYR A 20 10.960 3.105 8.136 1.00 0.00 H new ATOM 0 HB2 TYR A 20 10.892 3.124 11.182 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.611 3.745 10.160 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.630 0.849 8.459 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.629 2.064 12.072 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.409 -1.308 8.512 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.408 -0.097 12.129 1.00 0.00 H new ATOM 0 HH TYR A 20 7.075 -2.084 11.124 1.00 0.00 H new ATOM 334 N ARG A 21 12.869 5.096 9.943 1.00 0.00 N ATOM 335 CA ARG A 21 13.357 6.478 10.131 1.00 0.00 C ATOM 336 C ARG A 21 14.286 6.944 9.004 1.00 0.00 C ATOM 337 O ARG A 21 14.440 8.148 8.802 1.00 0.00 O ATOM 338 CB ARG A 21 14.031 6.600 11.512 1.00 0.00 C ATOM 339 CG ARG A 21 13.069 6.647 12.718 1.00 0.00 C ATOM 340 CD ARG A 21 11.981 5.565 12.776 1.00 0.00 C ATOM 341 NE ARG A 21 11.154 5.726 13.982 1.00 0.00 N ATOM 342 CZ ARG A 21 11.153 4.975 15.064 1.00 0.00 C ATOM 343 NH1 ARG A 21 11.716 3.801 15.097 1.00 0.00 N ATOM 344 NH2 ARG A 21 10.573 5.412 16.143 1.00 0.00 N ATOM 0 H ARG A 21 13.389 4.413 10.493 1.00 0.00 H new ATOM 0 HA ARG A 21 12.496 7.145 10.091 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.708 5.756 11.642 1.00 0.00 H new ATOM 0 HB3 ARG A 21 14.641 7.503 11.521 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.663 6.581 13.630 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.580 7.621 12.726 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.353 5.625 11.887 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.442 4.577 12.774 1.00 0.00 H new ATOM 0 HE ARG A 21 10.504 6.512 13.980 1.00 0.00 H new ATOM 0 HH11 ARG A 21 12.179 3.434 14.265 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.694 3.249 15.954 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.125 6.328 16.146 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.566 4.838 16.986 1.00 0.00 H new ATOM 358 N GLU A 22 14.848 6.017 8.228 1.00 0.00 N ATOM 359 CA GLU A 22 15.496 6.330 6.943 1.00 0.00 C ATOM 360 C GLU A 22 14.487 6.307 5.785 1.00 0.00 C ATOM 361 O GLU A 22 14.573 7.151 4.894 1.00 0.00 O ATOM 362 CB GLU A 22 16.655 5.354 6.664 1.00 0.00 C ATOM 363 CG GLU A 22 17.870 5.514 7.597 1.00 0.00 C ATOM 364 CD GLU A 22 18.753 6.729 7.267 1.00 0.00 C ATOM 365 OE1 GLU A 22 19.968 6.698 7.578 1.00 0.00 O ATOM 366 OE2 GLU A 22 18.254 7.738 6.712 1.00 0.00 O ATOM 0 H GLU A 22 14.870 5.026 8.468 1.00 0.00 H new ATOM 0 HA GLU A 22 15.900 7.340 7.016 1.00 0.00 H new ATOM 0 HB2 GLU A 22 16.281 4.334 6.749 1.00 0.00 H new ATOM 0 HB3 GLU A 22 16.985 5.488 5.634 1.00 0.00 H new ATOM 0 HG2 GLU A 22 17.518 5.602 8.625 1.00 0.00 H new ATOM 0 HG3 GLU A 22 18.478 4.611 7.544 1.00 0.00 H new ATOM 374 N ALA A 23 13.510 5.393 5.821 1.00 0.00 N ATOM 375 CA ALA A 23 12.469 5.242 4.800 1.00 0.00 C ATOM 376 C ALA A 23 11.549 6.469 4.704 1.00 0.00 C ATOM 377 O ALA A 23 11.311 6.996 3.614 1.00 0.00 O ATOM 378 CB ALA A 23 11.642 3.992 5.130 1.00 0.00 C ATOM 0 H ALA A 23 13.420 4.720 6.582 1.00 0.00 H new ATOM 0 HA ALA A 23 12.957 5.143 3.830 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.862 3.864 4.380 1.00 0.00 H new ATOM 0 HB2 ALA A 23 12.291 3.116 5.132 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.185 4.107 6.113 1.00 0.00 H new ATOM 384 N VAL A 24 11.078 6.962 5.857 1.00 0.00 N ATOM 385 CA VAL A 24 10.323 8.219 5.961 1.00 0.00 C ATOM 386 C VAL A 24 11.153 9.385 5.423 1.00 0.00 C ATOM 387 O VAL A 24 10.601 10.234 4.734 1.00 0.00 O ATOM 388 CB VAL A 24 9.863 8.468 7.415 1.00 0.00 C ATOM 389 CG1 VAL A 24 9.316 9.881 7.647 1.00 0.00 C ATOM 390 CG2 VAL A 24 8.739 7.494 7.795 1.00 0.00 C ATOM 0 H VAL A 24 11.212 6.495 6.754 1.00 0.00 H new ATOM 0 HA VAL A 24 9.425 8.138 5.348 1.00 0.00 H new ATOM 0 HB VAL A 24 10.755 8.326 8.026 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.012 9.987 8.688 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.091 10.613 7.419 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.456 10.049 6.999 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.426 7.682 8.822 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.891 7.638 7.125 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.101 6.469 7.708 1.00 0.00 H new ATOM 400 N HIS A 25 12.473 9.405 5.635 1.00 0.00 N ATOM 401 CA HIS A 25 13.325 10.498 5.163 1.00 0.00 C ATOM 402 C HIS A 25 13.378 10.595 3.628 1.00 0.00 C ATOM 403 O HIS A 25 13.238 11.696 3.089 1.00 0.00 O ATOM 404 CB HIS A 25 14.725 10.365 5.772 1.00 0.00 C ATOM 405 CG HIS A 25 15.514 11.646 5.700 1.00 0.00 C ATOM 406 ND1 HIS A 25 15.197 12.820 6.339 1.00 0.00 N ATOM 407 CD2 HIS A 25 16.669 11.867 5.000 1.00 0.00 C ATOM 408 CE1 HIS A 25 16.131 13.734 6.033 1.00 0.00 C ATOM 409 NE2 HIS A 25 17.070 13.193 5.234 1.00 0.00 N ATOM 0 H HIS A 25 12.976 8.671 6.134 1.00 0.00 H new ATOM 0 HA HIS A 25 12.880 11.434 5.500 1.00 0.00 H new ATOM 0 HB2 HIS A 25 14.636 10.056 6.813 1.00 0.00 H new ATOM 0 HB3 HIS A 25 15.270 9.578 5.251 1.00 0.00 H new ATOM 0 HD2 HIS A 25 17.182 11.149 4.377 1.00 0.00 H new ATOM 0 HE1 HIS A 25 16.130 14.757 6.378 1.00 0.00 H new ATOM 0 HE2 HIS A 25 17.905 13.653 4.871 1.00 0.00 H new ATOM 418 N CYS A 26 13.503 9.466 2.912 1.00 0.00 N ATOM 419 CA CYS A 26 13.484 9.441 1.441 1.00 0.00 C ATOM 420 C CYS A 26 12.155 9.951 0.868 1.00 0.00 C ATOM 421 O CYS A 26 12.156 10.690 -0.118 1.00 0.00 O ATOM 422 CB CYS A 26 13.754 8.012 0.927 1.00 0.00 C ATOM 423 SG CYS A 26 15.274 7.291 1.599 1.00 0.00 S ATOM 0 H CYS A 26 13.620 8.546 3.336 1.00 0.00 H new ATOM 0 HA CYS A 26 14.272 10.112 1.100 1.00 0.00 H new ATOM 0 HB2 CYS A 26 12.910 7.373 1.187 1.00 0.00 H new ATOM 0 HB3 CYS A 26 13.817 8.029 -0.161 1.00 0.00 H new ATOM 0 HG CYS A 26 15.156 7.151 2.886 1.00 0.00 H new ATOM 429 N TYR A 27 11.031 9.601 1.498 1.00 0.00 N ATOM 430 CA TYR A 27 9.702 10.084 1.113 1.00 0.00 C ATOM 431 C TYR A 27 9.441 11.538 1.533 1.00 0.00 C ATOM 432 O TYR A 27 8.856 12.291 0.757 1.00 0.00 O ATOM 433 CB TYR A 27 8.649 9.113 1.669 1.00 0.00 C ATOM 434 CG TYR A 27 8.532 7.770 0.955 1.00 0.00 C ATOM 435 CD1 TYR A 27 8.267 7.743 -0.424 1.00 0.00 C ATOM 436 CD2 TYR A 27 8.552 6.555 1.670 1.00 0.00 C ATOM 437 CE1 TYR A 27 7.911 6.543 -1.068 1.00 0.00 C ATOM 438 CE2 TYR A 27 8.185 5.349 1.032 1.00 0.00 C ATOM 439 CZ TYR A 27 7.819 5.350 -0.331 1.00 0.00 C ATOM 440 OH TYR A 27 7.348 4.223 -0.926 1.00 0.00 O ATOM 0 H TYR A 27 11.017 8.968 2.298 1.00 0.00 H new ATOM 0 HA TYR A 27 9.640 10.102 0.025 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.876 8.925 2.718 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.677 9.605 1.636 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.337 8.655 -0.998 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.849 6.546 2.708 1.00 0.00 H new ATOM 0 HE1 TYR A 27 7.709 6.539 -2.129 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.185 4.424 1.589 1.00 0.00 H new ATOM 0 HH TYR A 27 7.349 3.487 -0.279 1.00 0.00 H new ATOM 450 N ASP A 28 9.945 11.986 2.682 1.00 0.00 N ATOM 451 CA ASP A 28 9.900 13.392 3.092 1.00 0.00 C ATOM 452 C ASP A 28 10.682 14.284 2.120 1.00 0.00 C ATOM 453 O ASP A 28 10.220 15.378 1.811 1.00 0.00 O ATOM 454 CB ASP A 28 10.433 13.528 4.524 1.00 0.00 C ATOM 455 CG ASP A 28 10.411 14.978 5.020 1.00 0.00 C ATOM 456 OD1 ASP A 28 9.312 15.578 5.100 1.00 0.00 O ATOM 457 OD2 ASP A 28 11.488 15.547 5.324 1.00 0.00 O ATOM 0 H ASP A 28 10.401 11.378 3.362 1.00 0.00 H new ATOM 0 HA ASP A 28 8.864 13.730 3.069 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.834 12.909 5.192 1.00 0.00 H new ATOM 0 HB3 ASP A 28 11.454 13.148 4.567 1.00 0.00 H new ATOM 463 N GLN A 29 11.806 13.815 1.560 1.00 0.00 N ATOM 464 CA GLN A 29 12.601 14.617 0.618 1.00 0.00 C ATOM 465 C GLN A 29 11.960 14.729 -0.777 1.00 0.00 C ATOM 466 O GLN A 29 12.296 15.654 -1.520 1.00 0.00 O ATOM 467 CB GLN A 29 14.070 14.165 0.531 1.00 0.00 C ATOM 468 CG GLN A 29 14.927 14.208 1.816 1.00 0.00 C ATOM 469 CD GLN A 29 14.393 15.106 2.929 1.00 0.00 C ATOM 470 OE1 GLN A 29 14.589 16.319 2.954 1.00 0.00 O ATOM 471 NE2 GLN A 29 13.677 14.539 3.870 1.00 0.00 N ATOM 0 H GLN A 29 12.185 12.886 1.742 1.00 0.00 H new ATOM 0 HA GLN A 29 12.605 15.622 1.041 1.00 0.00 H new ATOM 0 HB2 GLN A 29 14.081 13.141 0.158 1.00 0.00 H new ATOM 0 HB3 GLN A 29 14.564 14.783 -0.219 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.021 13.194 2.204 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.930 14.542 1.552 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.514 13.532 3.850 1.00 0.00 H new ATOM 0 HE22 GLN A 29 13.283 15.105 4.622 1.00 0.00 H new ATOM 480 N LEU A 30 10.979 13.880 -1.119 1.00 0.00 N ATOM 481 CA LEU A 30 10.056 14.191 -2.227 1.00 0.00 C ATOM 482 C LEU A 30 9.318 15.506 -1.963 1.00 0.00 C ATOM 483 O LEU A 30 9.256 16.358 -2.846 1.00 0.00 O ATOM 484 CB LEU A 30 8.997 13.095 -2.439 1.00 0.00 C ATOM 485 CG LEU A 30 9.536 11.707 -2.797 1.00 0.00 C ATOM 486 CD1 LEU A 30 8.378 10.719 -2.792 1.00 0.00 C ATOM 487 CD2 LEU A 30 10.147 11.675 -4.197 1.00 0.00 C ATOM 0 H LEU A 30 10.804 12.988 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 30 10.676 14.264 -3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.403 13.010 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.322 13.417 -3.232 1.00 0.00 H new ATOM 0 HG LEU A 30 10.303 11.453 -2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.747 9.725 -3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.924 10.696 -1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.633 11.028 -3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.517 10.672 -4.410 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.388 11.945 -4.931 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.972 12.385 -4.250 1.00 0.00 H new ATOM 499 N ILE A 31 8.779 15.671 -0.753 1.00 0.00 N ATOM 500 CA ILE A 31 7.949 16.827 -0.362 1.00 0.00 C ATOM 501 C ILE A 31 8.807 18.052 0.028 1.00 0.00 C ATOM 502 O ILE A 31 8.395 19.194 -0.174 1.00 0.00 O ATOM 503 CB ILE A 31 6.929 16.419 0.732 1.00 0.00 C ATOM 504 CG1 ILE A 31 6.179 15.114 0.341 1.00 0.00 C ATOM 505 CG2 ILE A 31 5.921 17.565 0.961 1.00 0.00 C ATOM 506 CD1 ILE A 31 5.135 14.649 1.359 1.00 0.00 C ATOM 0 H ILE A 31 8.906 14.996 0.001 1.00 0.00 H new ATOM 0 HA ILE A 31 7.373 17.145 -1.231 1.00 0.00 H new ATOM 0 HB ILE A 31 7.475 16.229 1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.687 15.267 -0.620 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.911 14.318 0.201 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.207 17.273 1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.454 18.460 1.282 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.389 17.773 0.032 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.663 13.733 1.004 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.620 14.459 2.317 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.378 15.423 1.483 1.00 0.00 H new ATOM 518 N THR A 32 10.048 17.847 0.484 1.00 0.00 N ATOM 519 CA THR A 32 11.040 18.925 0.666 1.00 0.00 C ATOM 520 C THR A 32 11.387 19.590 -0.671 1.00 0.00 C ATOM 521 O THR A 32 11.625 20.799 -0.710 1.00 0.00 O ATOM 522 CB THR A 32 12.332 18.407 1.330 1.00 0.00 C ATOM 523 OG1 THR A 32 12.030 17.659 2.485 1.00 0.00 O ATOM 524 CG2 THR A 32 13.261 19.530 1.786 1.00 0.00 C ATOM 0 H THR A 32 10.399 16.924 0.740 1.00 0.00 H new ATOM 0 HA THR A 32 10.582 19.663 1.325 1.00 0.00 H new ATOM 0 HB THR A 32 12.825 17.807 0.566 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.828 17.172 2.777 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.152 19.101 2.245 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.551 20.134 0.926 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.744 20.157 2.513 1.00 0.00 H new ATOM 532 N ALA A 33 11.381 18.826 -1.773 1.00 0.00 N ATOM 533 CA ALA A 33 11.574 19.329 -3.135 1.00 0.00 C ATOM 534 C ALA A 33 10.266 19.806 -3.804 1.00 0.00 C ATOM 535 O ALA A 33 10.281 20.799 -4.531 1.00 0.00 O ATOM 536 CB ALA A 33 12.247 18.219 -3.948 1.00 0.00 C ATOM 0 H ALA A 33 11.238 17.817 -1.738 1.00 0.00 H new ATOM 0 HA ALA A 33 12.205 20.217 -3.095 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.406 18.562 -4.970 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.207 17.968 -3.496 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.608 17.336 -3.957 1.00 0.00 H new ATOM 542 N GLN A 34 9.141 19.122 -3.559 1.00 0.00 N ATOM 543 CA GLN A 34 7.857 19.291 -4.263 1.00 0.00 C ATOM 544 C GLN A 34 6.695 19.461 -3.247 1.00 0.00 C ATOM 545 O GLN A 34 5.924 18.519 -3.034 1.00 0.00 O ATOM 546 CB GLN A 34 7.637 18.080 -5.192 1.00 0.00 C ATOM 547 CG GLN A 34 8.779 17.735 -6.174 1.00 0.00 C ATOM 548 CD GLN A 34 8.756 16.256 -6.538 1.00 0.00 C ATOM 549 OE1 GLN A 34 8.474 15.847 -7.656 1.00 0.00 O ATOM 550 NE2 GLN A 34 9.022 15.381 -5.596 1.00 0.00 N ATOM 0 H GLN A 34 9.096 18.405 -2.835 1.00 0.00 H new ATOM 0 HA GLN A 34 7.880 20.196 -4.869 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.449 17.205 -4.570 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.732 18.258 -5.773 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.681 18.337 -7.077 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.739 17.988 -5.724 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.260 15.699 -4.657 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.991 14.383 -5.804 1.00 0.00 H new ATOM 559 N PRO A 35 6.556 20.627 -2.578 1.00 0.00 N ATOM 560 CA PRO A 35 5.675 20.800 -1.413 1.00 0.00 C ATOM 561 C PRO A 35 4.171 20.608 -1.628 1.00 0.00 C ATOM 562 O PRO A 35 3.442 20.440 -0.648 1.00 0.00 O ATOM 563 CB PRO A 35 5.908 22.240 -0.951 1.00 0.00 C ATOM 564 CG PRO A 35 7.337 22.535 -1.390 1.00 0.00 C ATOM 565 CD PRO A 35 7.392 21.811 -2.732 1.00 0.00 C ATOM 0 HA PRO A 35 5.935 20.014 -0.703 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.198 22.928 -1.411 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.793 22.338 0.128 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.524 23.604 -1.492 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.072 22.149 -0.684 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.023 22.448 -3.536 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.416 21.537 -2.987 1.00 0.00 H new ATOM 573 N GLN A 36 3.692 20.689 -2.871 1.00 0.00 N ATOM 574 CA GLN A 36 2.264 20.707 -3.211 1.00 0.00 C ATOM 575 C GLN A 36 1.865 19.599 -4.203 1.00 0.00 C ATOM 576 O GLN A 36 0.676 19.384 -4.444 1.00 0.00 O ATOM 577 CB GLN A 36 1.923 22.103 -3.771 1.00 0.00 C ATOM 578 CG GLN A 36 0.511 22.580 -3.412 1.00 0.00 C ATOM 579 CD GLN A 36 0.406 22.975 -1.943 1.00 0.00 C ATOM 580 OE1 GLN A 36 0.785 24.066 -1.538 1.00 0.00 O ATOM 581 NE2 GLN A 36 -0.064 22.112 -1.074 1.00 0.00 N ATOM 0 H GLN A 36 4.298 20.745 -3.689 1.00 0.00 H new ATOM 0 HA GLN A 36 1.690 20.505 -2.307 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.648 22.824 -3.393 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.027 22.085 -4.856 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.244 23.432 -4.038 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.207 21.789 -3.628 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.386 21.196 -1.388 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.108 22.357 -0.085 1.00 0.00 H new ATOM 590 N ASN A 37 2.837 18.907 -4.806 1.00 0.00 N ATOM 591 CA ASN A 37 2.602 17.879 -5.816 1.00 0.00 C ATOM 592 C ASN A 37 1.965 16.621 -5.195 1.00 0.00 C ATOM 593 O ASN A 37 2.590 15.985 -4.339 1.00 0.00 O ATOM 594 CB ASN A 37 3.932 17.519 -6.499 1.00 0.00 C ATOM 595 CG ASN A 37 4.236 18.364 -7.718 1.00 0.00 C ATOM 596 OD1 ASN A 37 4.980 19.337 -7.669 1.00 0.00 O ATOM 597 ND2 ASN A 37 3.660 17.993 -8.836 1.00 0.00 N ATOM 0 H ASN A 37 3.826 19.051 -4.600 1.00 0.00 H new ATOM 0 HA ASN A 37 1.906 18.273 -6.556 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.742 17.631 -5.779 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.908 16.469 -6.792 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.827 18.518 -9.694 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.045 17.179 -8.847 1.00 0.00 H new ATOM 604 N PRO A 38 0.787 16.168 -5.665 1.00 0.00 N ATOM 605 CA PRO A 38 0.145 14.976 -5.122 1.00 0.00 C ATOM 606 C PRO A 38 0.897 13.672 -5.419 1.00 0.00 C ATOM 607 O PRO A 38 0.579 12.653 -4.805 1.00 0.00 O ATOM 608 CB PRO A 38 -1.267 14.978 -5.694 1.00 0.00 C ATOM 609 CG PRO A 38 -1.089 15.678 -7.040 1.00 0.00 C ATOM 610 CD PRO A 38 -0.064 16.756 -6.693 1.00 0.00 C ATOM 0 HA PRO A 38 0.141 15.012 -4.033 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.656 13.967 -5.813 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.963 15.514 -5.049 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.724 14.998 -7.810 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.023 16.104 -7.407 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.519 17.040 -7.569 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.553 17.659 -6.328 1.00 0.00 H new ATOM 618 N VAL A 39 1.929 13.683 -6.273 1.00 0.00 N ATOM 619 CA VAL A 39 2.908 12.586 -6.346 1.00 0.00 C ATOM 620 C VAL A 39 3.552 12.329 -4.971 1.00 0.00 C ATOM 621 O VAL A 39 3.543 11.200 -4.487 1.00 0.00 O ATOM 622 CB VAL A 39 3.946 12.852 -7.464 1.00 0.00 C ATOM 623 CG1 VAL A 39 5.182 13.655 -7.049 1.00 0.00 C ATOM 624 CG2 VAL A 39 4.431 11.525 -8.053 1.00 0.00 C ATOM 0 H VAL A 39 2.110 14.444 -6.928 1.00 0.00 H new ATOM 0 HA VAL A 39 2.389 11.666 -6.616 1.00 0.00 H new ATOM 0 HB VAL A 39 3.406 13.464 -8.187 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.840 13.781 -7.909 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.874 14.634 -6.681 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.714 13.123 -6.261 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.161 11.721 -8.839 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.894 10.926 -7.269 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.584 10.982 -8.472 1.00 0.00 H new ATOM 634 N GLY A 40 3.984 13.384 -4.267 1.00 0.00 N ATOM 635 CA GLY A 40 4.608 13.284 -2.948 1.00 0.00 C ATOM 636 C GLY A 40 3.635 12.765 -1.892 1.00 0.00 C ATOM 637 O GLY A 40 3.991 11.889 -1.106 1.00 0.00 O ATOM 0 H GLY A 40 3.907 14.343 -4.606 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.470 12.619 -3.004 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.980 14.264 -2.648 1.00 0.00 H new ATOM 641 N TYR A 41 2.374 13.207 -1.936 1.00 0.00 N ATOM 642 CA TYR A 41 1.314 12.668 -1.078 1.00 0.00 C ATOM 643 C TYR A 41 1.005 11.190 -1.395 1.00 0.00 C ATOM 644 O TYR A 41 0.831 10.388 -0.480 1.00 0.00 O ATOM 645 CB TYR A 41 0.042 13.525 -1.211 1.00 0.00 C ATOM 646 CG TYR A 41 0.180 15.016 -0.923 1.00 0.00 C ATOM 647 CD1 TYR A 41 1.030 15.493 0.099 1.00 0.00 C ATOM 648 CD2 TYR A 41 -0.579 15.936 -1.674 1.00 0.00 C ATOM 649 CE1 TYR A 41 1.133 16.875 0.354 1.00 0.00 C ATOM 650 CE2 TYR A 41 -0.480 17.317 -1.421 1.00 0.00 C ATOM 651 CZ TYR A 41 0.368 17.789 -0.398 1.00 0.00 C ATOM 652 OH TYR A 41 0.403 19.118 -0.117 1.00 0.00 O ATOM 0 H TYR A 41 2.060 13.946 -2.565 1.00 0.00 H new ATOM 0 HA TYR A 41 1.670 12.708 -0.049 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.340 13.410 -2.225 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.713 13.118 -0.538 1.00 0.00 H new ATOM 0 HD1 TYR A 41 1.605 14.794 0.689 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -1.241 15.579 -2.449 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.798 17.234 1.126 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -1.054 18.016 -2.011 1.00 0.00 H new ATOM 0 HH TYR A 41 1.316 19.454 -0.238 1.00 0.00 H new ATOM 662 N SER A 42 1.010 10.794 -2.675 1.00 0.00 N ATOM 663 CA SER A 42 0.817 9.399 -3.112 1.00 0.00 C ATOM 664 C SER A 42 1.922 8.476 -2.592 1.00 0.00 C ATOM 665 O SER A 42 1.653 7.337 -2.198 1.00 0.00 O ATOM 666 CB SER A 42 0.782 9.288 -4.644 1.00 0.00 C ATOM 667 OG SER A 42 -0.228 10.100 -5.200 1.00 0.00 O ATOM 0 H SER A 42 1.150 11.442 -3.450 1.00 0.00 H new ATOM 0 HA SER A 42 -0.141 9.086 -2.695 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.750 9.579 -5.053 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.614 8.250 -4.930 1.00 0.00 H new ATOM 0 HG SER A 42 0.067 11.035 -5.200 1.00 0.00 H new ATOM 673 N ASN A 43 3.161 8.968 -2.564 1.00 0.00 N ATOM 674 CA ASN A 43 4.318 8.265 -2.020 1.00 0.00 C ATOM 675 C ASN A 43 4.320 8.251 -0.474 1.00 0.00 C ATOM 676 O ASN A 43 4.546 7.206 0.131 1.00 0.00 O ATOM 677 CB ASN A 43 5.577 8.910 -2.621 1.00 0.00 C ATOM 678 CG ASN A 43 5.769 8.639 -4.105 1.00 0.00 C ATOM 679 OD1 ASN A 43 5.974 9.529 -4.912 1.00 0.00 O ATOM 680 ND2 ASN A 43 5.770 7.396 -4.513 1.00 0.00 N ATOM 0 H ASN A 43 3.391 9.892 -2.930 1.00 0.00 H new ATOM 0 HA ASN A 43 4.286 7.212 -2.299 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.530 9.987 -2.463 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.451 8.546 -2.081 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.941 7.182 -5.496 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.600 6.641 -3.849 1.00 0.00 H new ATOM 687 N LYS A 44 3.958 9.355 0.195 1.00 0.00 N ATOM 688 CA LYS A 44 3.804 9.390 1.665 1.00 0.00 C ATOM 689 C LYS A 44 2.655 8.493 2.151 1.00 0.00 C ATOM 690 O LYS A 44 2.776 7.861 3.196 1.00 0.00 O ATOM 691 CB LYS A 44 3.677 10.853 2.124 1.00 0.00 C ATOM 692 CG LYS A 44 3.708 11.016 3.656 1.00 0.00 C ATOM 693 CD LYS A 44 3.919 12.491 4.030 1.00 0.00 C ATOM 694 CE LYS A 44 3.836 12.725 5.545 1.00 0.00 C ATOM 695 NZ LYS A 44 4.086 14.146 5.872 1.00 0.00 N ATOM 0 H LYS A 44 3.764 10.247 -0.260 1.00 0.00 H new ATOM 0 HA LYS A 44 4.695 8.969 2.131 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.488 11.435 1.687 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.745 11.267 1.740 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.774 10.655 4.086 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.509 10.409 4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.892 12.820 3.666 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.168 13.102 3.528 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.852 12.431 5.909 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.566 12.096 6.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.025 14.281 6.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.035 14.416 5.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.374 14.741 5.402 1.00 0.00 H new ATOM 709 N ALA A 45 1.592 8.329 1.362 1.00 0.00 N ATOM 710 CA ALA A 45 0.553 7.331 1.622 1.00 0.00 C ATOM 711 C ALA A 45 1.092 5.884 1.560 1.00 0.00 C ATOM 712 O ALA A 45 0.693 5.063 2.385 1.00 0.00 O ATOM 713 CB ALA A 45 -0.609 7.554 0.648 1.00 0.00 C ATOM 0 H ALA A 45 1.427 8.885 0.523 1.00 0.00 H new ATOM 0 HA ALA A 45 0.194 7.462 2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.388 6.814 0.835 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.017 8.555 0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.250 7.452 -0.376 1.00 0.00 H new ATOM 719 N MET A 46 2.036 5.576 0.653 1.00 0.00 N ATOM 720 CA MET A 46 2.741 4.282 0.630 1.00 0.00 C ATOM 721 C MET A 46 3.572 4.079 1.901 1.00 0.00 C ATOM 722 O MET A 46 3.491 3.018 2.514 1.00 0.00 O ATOM 723 CB MET A 46 3.623 4.152 -0.626 1.00 0.00 C ATOM 724 CG MET A 46 4.301 2.787 -0.792 1.00 0.00 C ATOM 725 SD MET A 46 3.190 1.358 -0.743 1.00 0.00 S ATOM 726 CE MET A 46 3.341 0.736 -2.440 1.00 0.00 C ATOM 0 H MET A 46 2.331 6.216 -0.084 1.00 0.00 H new ATOM 0 HA MET A 46 1.985 3.497 0.595 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.010 4.348 -1.506 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.392 4.924 -0.595 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.835 2.778 -1.742 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.047 2.673 -0.006 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.450 0.164 -2.698 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.445 1.576 -3.127 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.219 0.095 -2.516 1.00 0.00 H new ATOM 736 N ALA A 47 4.299 5.109 2.343 1.00 0.00 N ATOM 737 CA ALA A 47 5.062 5.076 3.592 1.00 0.00 C ATOM 738 C ALA A 47 4.172 4.755 4.805 1.00 0.00 C ATOM 739 O ALA A 47 4.475 3.851 5.587 1.00 0.00 O ATOM 740 CB ALA A 47 5.774 6.425 3.766 1.00 0.00 C ATOM 0 H ALA A 47 4.375 5.994 1.841 1.00 0.00 H new ATOM 0 HA ALA A 47 5.798 4.274 3.536 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.347 6.417 4.693 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.446 6.593 2.925 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.034 7.225 3.804 1.00 0.00 H new ATOM 746 N LEU A 48 3.032 5.441 4.937 1.00 0.00 N ATOM 747 CA LEU A 48 2.122 5.280 6.075 1.00 0.00 C ATOM 748 C LEU A 48 1.501 3.871 6.137 1.00 0.00 C ATOM 749 O LEU A 48 1.457 3.291 7.223 1.00 0.00 O ATOM 750 CB LEU A 48 1.071 6.405 6.042 1.00 0.00 C ATOM 751 CG LEU A 48 1.647 7.806 6.348 1.00 0.00 C ATOM 752 CD1 LEU A 48 0.648 8.886 5.935 1.00 0.00 C ATOM 753 CD2 LEU A 48 1.955 7.989 7.836 1.00 0.00 C ATOM 0 H LEU A 48 2.713 6.127 4.253 1.00 0.00 H new ATOM 0 HA LEU A 48 2.690 5.370 7.001 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.602 6.422 5.058 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.287 6.179 6.765 1.00 0.00 H new ATOM 0 HG LEU A 48 2.574 7.896 5.782 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.064 9.869 6.155 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.448 8.807 4.866 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.281 8.753 6.489 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.358 8.988 8.004 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.040 7.864 8.415 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.687 7.245 8.150 1.00 0.00 H new ATOM 765 N ILE A 49 1.124 3.251 5.006 1.00 0.00 N ATOM 766 CA ILE A 49 0.660 1.843 4.995 1.00 0.00 C ATOM 767 C ILE A 49 1.785 0.809 5.166 1.00 0.00 C ATOM 768 O ILE A 49 1.496 -0.377 5.321 1.00 0.00 O ATOM 769 CB ILE A 49 -0.224 1.497 3.774 1.00 0.00 C ATOM 770 CG1 ILE A 49 0.549 1.509 2.440 1.00 0.00 C ATOM 771 CG2 ILE A 49 -1.439 2.429 3.717 1.00 0.00 C ATOM 772 CD1 ILE A 49 -0.280 1.050 1.235 1.00 0.00 C ATOM 0 H ILE A 49 1.129 3.696 4.088 1.00 0.00 H new ATOM 0 HA ILE A 49 0.033 1.772 5.884 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.566 0.471 3.912 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.915 2.519 2.253 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.424 0.865 2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.053 2.174 2.853 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.028 2.315 4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.102 3.462 3.631 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.334 1.087 0.335 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.624 0.029 1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.141 1.708 1.114 1.00 0.00 H new ATOM 784 N LYS A 50 3.059 1.226 5.150 1.00 0.00 N ATOM 785 CA LYS A 50 4.236 0.364 5.374 1.00 0.00 C ATOM 786 C LYS A 50 4.840 0.502 6.782 1.00 0.00 C ATOM 787 O LYS A 50 5.497 -0.428 7.250 1.00 0.00 O ATOM 788 CB LYS A 50 5.263 0.630 4.256 1.00 0.00 C ATOM 789 CG LYS A 50 5.810 -0.644 3.594 1.00 0.00 C ATOM 790 CD LYS A 50 4.762 -1.497 2.866 1.00 0.00 C ATOM 791 CE LYS A 50 3.930 -0.709 1.848 1.00 0.00 C ATOM 792 NZ LYS A 50 2.980 -1.604 1.156 1.00 0.00 N ATOM 0 H LYS A 50 3.310 2.199 4.976 1.00 0.00 H new ATOM 0 HA LYS A 50 3.914 -0.676 5.327 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.799 1.254 3.492 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.096 1.199 4.670 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.585 -0.361 2.882 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.288 -1.256 4.359 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.265 -2.317 2.354 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.093 -1.943 3.602 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.386 0.089 2.353 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.588 -0.234 1.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.622 -1.135 0.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.464 -2.486 0.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.185 -1.822 1.789 1.00 0.00 H new ATOM 806 N LEU A 51 4.545 1.611 7.470 1.00 0.00 N ATOM 807 CA LEU A 51 4.753 1.854 8.908 1.00 0.00 C ATOM 808 C LEU A 51 3.525 1.407 9.741 1.00 0.00 C ATOM 809 O LEU A 51 3.575 1.345 10.970 1.00 0.00 O ATOM 810 CB LEU A 51 5.076 3.359 9.083 1.00 0.00 C ATOM 811 CG LEU A 51 6.147 3.719 10.136 1.00 0.00 C ATOM 812 CD1 LEU A 51 6.478 5.208 10.022 1.00 0.00 C ATOM 813 CD2 LEU A 51 5.748 3.451 11.583 1.00 0.00 C ATOM 0 H LEU A 51 4.126 2.419 7.009 1.00 0.00 H new ATOM 0 HA LEU A 51 5.586 1.259 9.282 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.400 3.752 8.119 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.153 3.877 9.345 1.00 0.00 H new ATOM 0 HG LEU A 51 6.995 3.071 9.915 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.234 5.470 10.762 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.859 5.421 9.023 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.577 5.796 10.199 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.566 3.736 12.245 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.861 4.035 11.830 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.531 2.390 11.710 1.00 0.00 H new ATOM 825 N GLY A 52 2.413 1.071 9.075 1.00 0.00 N ATOM 826 CA GLY A 52 1.186 0.562 9.694 1.00 0.00 C ATOM 827 C GLY A 52 0.276 1.637 10.301 1.00 0.00 C ATOM 828 O GLY A 52 -0.545 1.357 11.171 1.00 0.00 O ATOM 0 H GLY A 52 2.342 1.149 8.060 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.620 0.009 8.944 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.458 -0.147 10.476 1.00 0.00 H new ATOM 832 N GLU A 53 0.413 2.883 9.860 1.00 0.00 N ATOM 833 CA GLU A 53 -0.347 4.058 10.307 1.00 0.00 C ATOM 834 C GLU A 53 -1.571 4.251 9.397 1.00 0.00 C ATOM 835 O GLU A 53 -1.787 5.324 8.832 1.00 0.00 O ATOM 836 CB GLU A 53 0.584 5.287 10.353 1.00 0.00 C ATOM 837 CG GLU A 53 1.885 5.117 11.164 1.00 0.00 C ATOM 838 CD GLU A 53 1.685 5.091 12.686 1.00 0.00 C ATOM 839 OE1 GLU A 53 1.096 4.121 13.224 1.00 0.00 O ATOM 840 OE2 GLU A 53 2.182 6.020 13.365 1.00 0.00 O ATOM 0 H GLU A 53 1.095 3.120 9.140 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.726 3.915 11.319 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.849 5.556 9.331 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.026 6.126 10.769 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.371 4.191 10.858 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.564 5.932 10.913 1.00 0.00 H new ATOM 848 N TYR A 54 -2.366 3.192 9.197 1.00 0.00 N ATOM 849 CA TYR A 54 -3.448 3.168 8.203 1.00 0.00 C ATOM 850 C TYR A 54 -4.480 4.281 8.433 1.00 0.00 C ATOM 851 O TYR A 54 -4.893 4.919 7.469 1.00 0.00 O ATOM 852 CB TYR A 54 -4.121 1.787 8.152 1.00 0.00 C ATOM 853 CG TYR A 54 -3.160 0.617 8.179 1.00 0.00 C ATOM 854 CD1 TYR A 54 -2.469 0.230 7.015 1.00 0.00 C ATOM 855 CD2 TYR A 54 -2.947 -0.076 9.385 1.00 0.00 C ATOM 856 CE1 TYR A 54 -1.554 -0.839 7.063 1.00 0.00 C ATOM 857 CE2 TYR A 54 -2.052 -1.158 9.431 1.00 0.00 C ATOM 858 CZ TYR A 54 -1.352 -1.543 8.269 1.00 0.00 C ATOM 859 OH TYR A 54 -0.448 -2.551 8.320 1.00 0.00 O ATOM 0 H TYR A 54 -2.276 2.323 9.723 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.991 3.360 7.232 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.804 1.699 8.997 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.724 1.724 7.246 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.641 0.753 6.086 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -3.474 0.225 10.279 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.006 -1.120 6.176 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.900 -1.695 10.356 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.431 -2.930 9.224 1.00 0.00 H new ATOM 869 N THR A 55 -4.801 4.610 9.693 1.00 0.00 N ATOM 870 CA THR A 55 -5.638 5.773 10.080 1.00 0.00 C ATOM 871 C THR A 55 -5.152 7.101 9.485 1.00 0.00 C ATOM 872 O THR A 55 -5.956 7.978 9.159 1.00 0.00 O ATOM 873 CB THR A 55 -5.690 5.894 11.613 1.00 0.00 C ATOM 874 OG1 THR A 55 -6.140 4.683 12.176 1.00 0.00 O ATOM 875 CG2 THR A 55 -6.645 6.972 12.119 1.00 0.00 C ATOM 0 H THR A 55 -4.482 4.067 10.495 1.00 0.00 H new ATOM 0 HA THR A 55 -6.631 5.585 9.672 1.00 0.00 H new ATOM 0 HB THR A 55 -4.673 6.153 11.909 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.169 4.767 13.152 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.624 6.994 13.209 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.337 7.943 11.730 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.657 6.750 11.780 1.00 0.00 H new ATOM 883 N GLN A 56 -3.841 7.235 9.296 1.00 0.00 N ATOM 884 CA GLN A 56 -3.176 8.439 8.792 1.00 0.00 C ATOM 885 C GLN A 56 -2.942 8.341 7.276 1.00 0.00 C ATOM 886 O GLN A 56 -2.948 9.355 6.575 1.00 0.00 O ATOM 887 CB GLN A 56 -1.871 8.634 9.585 1.00 0.00 C ATOM 888 CG GLN A 56 -2.150 8.737 11.098 1.00 0.00 C ATOM 889 CD GLN A 56 -0.925 8.517 11.975 1.00 0.00 C ATOM 890 OE1 GLN A 56 0.196 8.936 11.712 1.00 0.00 O ATOM 891 NE2 GLN A 56 -1.107 7.802 13.058 1.00 0.00 N ATOM 0 H GLN A 56 -3.186 6.480 9.497 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.807 9.316 8.939 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.197 7.799 9.393 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.366 9.537 9.243 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.565 9.722 11.313 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.911 8.005 11.366 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.036 7.449 13.286 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.319 7.599 13.673 1.00 0.00 H new ATOM 900 N ALA A 57 -2.818 7.119 6.745 1.00 0.00 N ATOM 901 CA ALA A 57 -2.783 6.854 5.311 1.00 0.00 C ATOM 902 C ALA A 57 -4.134 7.136 4.639 1.00 0.00 C ATOM 903 O ALA A 57 -4.159 7.754 3.578 1.00 0.00 O ATOM 904 CB ALA A 57 -2.364 5.404 5.074 1.00 0.00 C ATOM 0 H ALA A 57 -2.738 6.276 7.313 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.055 7.529 4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.337 5.203 4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.374 5.237 5.499 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.081 4.736 5.550 1.00 0.00 H new ATOM 910 N ILE A 58 -5.260 6.750 5.256 1.00 0.00 N ATOM 911 CA ILE A 58 -6.590 7.045 4.699 1.00 0.00 C ATOM 912 C ILE A 58 -6.872 8.554 4.679 1.00 0.00 C ATOM 913 O ILE A 58 -7.430 9.052 3.703 1.00 0.00 O ATOM 914 CB ILE A 58 -7.718 6.233 5.380 1.00 0.00 C ATOM 915 CG1 ILE A 58 -7.909 6.580 6.871 1.00 0.00 C ATOM 916 CG2 ILE A 58 -7.471 4.724 5.186 1.00 0.00 C ATOM 917 CD1 ILE A 58 -9.088 5.861 7.540 1.00 0.00 C ATOM 0 H ILE A 58 -5.278 6.235 6.136 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.579 6.713 3.661 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.651 6.513 4.891 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.994 6.332 7.410 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.053 7.656 6.966 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.269 4.160 5.668 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.455 4.492 4.121 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.514 4.452 5.631 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.151 6.161 8.586 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.014 6.127 7.030 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.938 4.783 7.480 1.00 0.00 H new ATOM 929 N GLN A 59 -6.386 9.297 5.681 1.00 0.00 N ATOM 930 CA GLN A 59 -6.409 10.764 5.701 1.00 0.00 C ATOM 931 C GLN A 59 -5.563 11.353 4.558 1.00 0.00 C ATOM 932 O GLN A 59 -6.058 12.207 3.829 1.00 0.00 O ATOM 933 CB GLN A 59 -6.000 11.245 7.101 1.00 0.00 C ATOM 934 CG GLN A 59 -5.982 12.772 7.296 1.00 0.00 C ATOM 935 CD GLN A 59 -4.682 13.431 6.839 1.00 0.00 C ATOM 936 OE1 GLN A 59 -3.590 13.084 7.271 1.00 0.00 O ATOM 937 NE2 GLN A 59 -4.737 14.398 5.958 1.00 0.00 N ATOM 0 H GLN A 59 -5.959 8.889 6.513 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.417 11.133 5.513 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -6.684 10.811 7.830 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.007 10.856 7.325 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.815 13.210 6.746 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.143 12.997 8.350 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -5.638 14.700 5.588 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -3.879 14.850 5.642 1.00 0.00 H new ATOM 946 N MET A 60 -4.344 10.846 4.325 1.00 0.00 N ATOM 947 CA MET A 60 -3.505 11.260 3.185 1.00 0.00 C ATOM 948 C MET A 60 -4.179 10.976 1.830 1.00 0.00 C ATOM 949 O MET A 60 -4.177 11.831 0.948 1.00 0.00 O ATOM 950 CB MET A 60 -2.141 10.555 3.263 1.00 0.00 C ATOM 951 CG MET A 60 -1.157 11.049 2.190 1.00 0.00 C ATOM 952 SD MET A 60 -0.551 12.757 2.340 1.00 0.00 S ATOM 953 CE MET A 60 0.077 12.799 4.041 1.00 0.00 C ATOM 0 H MET A 60 -3.910 10.139 4.918 1.00 0.00 H new ATOM 0 HA MET A 60 -3.366 12.339 3.251 1.00 0.00 H new ATOM 0 HB2 MET A 60 -1.708 10.718 4.250 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.285 9.480 3.151 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.294 10.383 2.191 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.638 10.946 1.217 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.676 13.698 4.185 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.761 12.806 4.738 1.00 0.00 H new ATOM 0 HE3 MET A 60 0.693 11.919 4.223 1.00 0.00 H new ATOM 963 N CYS A 61 -4.791 9.801 1.652 1.00 0.00 N ATOM 964 CA CYS A 61 -5.511 9.460 0.421 1.00 0.00 C ATOM 965 C CYS A 61 -6.731 10.372 0.187 1.00 0.00 C ATOM 966 O CYS A 61 -6.879 10.917 -0.908 1.00 0.00 O ATOM 967 CB CYS A 61 -5.900 7.974 0.427 1.00 0.00 C ATOM 968 SG CYS A 61 -4.436 6.905 0.321 1.00 0.00 S ATOM 0 H CYS A 61 -4.801 9.062 2.355 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.838 9.634 -0.419 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.454 7.745 1.337 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.565 7.767 -0.412 1.00 0.00 H new ATOM 0 HG CYS A 61 -3.858 6.845 1.484 1.00 0.00 H new ATOM 974 N GLN A 62 -7.565 10.608 1.206 1.00 0.00 N ATOM 975 CA GLN A 62 -8.700 11.542 1.137 1.00 0.00 C ATOM 976 C GLN A 62 -8.246 12.990 0.887 1.00 0.00 C ATOM 977 O GLN A 62 -8.894 13.702 0.117 1.00 0.00 O ATOM 978 CB GLN A 62 -9.514 11.445 2.446 1.00 0.00 C ATOM 979 CG GLN A 62 -10.280 10.117 2.636 1.00 0.00 C ATOM 980 CD GLN A 62 -10.815 9.916 4.062 1.00 0.00 C ATOM 981 OE1 GLN A 62 -10.551 10.676 4.992 1.00 0.00 O ATOM 982 NE2 GLN A 62 -11.584 8.881 4.321 1.00 0.00 N ATOM 0 H GLN A 62 -7.472 10.152 2.113 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.325 11.259 0.290 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.837 11.581 3.289 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.229 12.268 2.475 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.115 10.085 1.936 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.620 9.287 2.384 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.826 8.227 3.577 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.938 8.732 5.266 1.00 0.00 H new ATOM 991 N GLN A 63 -7.114 13.407 1.458 1.00 0.00 N ATOM 992 CA GLN A 63 -6.482 14.699 1.184 1.00 0.00 C ATOM 993 C GLN A 63 -5.943 14.777 -0.253 1.00 0.00 C ATOM 994 O GLN A 63 -6.048 15.824 -0.887 1.00 0.00 O ATOM 995 CB GLN A 63 -5.396 14.942 2.249 1.00 0.00 C ATOM 996 CG GLN A 63 -4.602 16.251 2.088 1.00 0.00 C ATOM 997 CD GLN A 63 -3.223 16.024 1.477 1.00 0.00 C ATOM 998 OE1 GLN A 63 -2.215 15.954 2.165 1.00 0.00 O ATOM 999 NE2 GLN A 63 -3.111 15.868 0.177 1.00 0.00 N ATOM 0 H GLN A 63 -6.601 12.845 2.137 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.221 15.497 1.251 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.867 14.940 3.232 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.696 14.106 2.229 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.166 16.940 1.459 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.491 16.727 3.062 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.939 15.922 -0.416 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.196 15.692 -0.239 1.00 0.00 H new ATOM 1008 N GLY A 64 -5.370 13.706 -0.811 1.00 0.00 N ATOM 1009 CA GLY A 64 -4.863 13.694 -2.189 1.00 0.00 C ATOM 1010 C GLY A 64 -5.967 13.716 -3.248 1.00 0.00 C ATOM 1011 O GLY A 64 -5.816 14.393 -4.259 1.00 0.00 O ATOM 0 H GLY A 64 -5.244 12.821 -0.320 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.213 14.557 -2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.250 12.805 -2.334 1.00 0.00 H new ATOM 1015 N LEU A 65 -7.113 13.081 -2.988 1.00 0.00 N ATOM 1016 CA LEU A 65 -8.294 13.100 -3.874 1.00 0.00 C ATOM 1017 C LEU A 65 -8.984 14.480 -3.947 1.00 0.00 C ATOM 1018 O LEU A 65 -9.867 14.682 -4.783 1.00 0.00 O ATOM 1019 CB LEU A 65 -9.249 11.969 -3.453 1.00 0.00 C ATOM 1020 CG LEU A 65 -8.637 10.572 -3.685 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -9.403 9.506 -2.908 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -8.622 10.196 -5.170 1.00 0.00 C ATOM 0 H LEU A 65 -7.255 12.528 -2.143 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.963 12.920 -4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.501 12.083 -2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.179 12.054 -4.014 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.608 10.617 -3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.952 8.530 -3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.363 9.733 -1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.442 9.492 -3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.183 9.205 -5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.642 10.190 -5.554 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.030 10.925 -5.724 1.00 0.00 H new ATOM 1034 N ARG A 66 -8.558 15.459 -3.134 1.00 0.00 N ATOM 1035 CA ARG A 66 -8.863 16.897 -3.345 1.00 0.00 C ATOM 1036 C ARG A 66 -8.037 17.576 -4.453 1.00 0.00 C ATOM 1037 O ARG A 66 -8.497 18.571 -5.017 1.00 0.00 O ATOM 1038 CB ARG A 66 -8.734 17.687 -2.027 1.00 0.00 C ATOM 1039 CG ARG A 66 -9.701 17.166 -0.958 1.00 0.00 C ATOM 1040 CD ARG A 66 -9.724 18.055 0.286 1.00 0.00 C ATOM 1041 NE ARG A 66 -10.741 17.566 1.228 1.00 0.00 N ATOM 1042 CZ ARG A 66 -11.129 18.118 2.359 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -10.586 19.188 2.859 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -12.114 17.573 3.002 1.00 0.00 N ATOM 0 H ARG A 66 -7.989 15.283 -2.306 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.896 16.916 -3.692 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.711 17.615 -1.658 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.932 18.742 -2.214 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.705 17.106 -1.378 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.414 16.154 -0.673 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.744 18.055 0.762 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.941 19.085 0.004 1.00 0.00 H new ATOM 0 HE ARG A 66 -11.203 16.692 0.975 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.816 19.645 2.370 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.930 19.570 3.740 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.567 16.739 2.629 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.436 17.979 3.881 1.00 0.00 H new ATOM 1058 N TYR A 67 -6.866 17.041 -4.807 1.00 0.00 N ATOM 1059 CA TYR A 67 -5.942 17.618 -5.799 1.00 0.00 C ATOM 1060 C TYR A 67 -6.144 17.092 -7.238 1.00 0.00 C ATOM 1061 O TYR A 67 -5.501 17.583 -8.167 1.00 0.00 O ATOM 1062 CB TYR A 67 -4.491 17.377 -5.336 1.00 0.00 C ATOM 1063 CG TYR A 67 -4.034 18.232 -4.167 1.00 0.00 C ATOM 1064 CD1 TYR A 67 -4.211 17.789 -2.842 1.00 0.00 C ATOM 1065 CD2 TYR A 67 -3.409 19.472 -4.408 1.00 0.00 C ATOM 1066 CE1 TYR A 67 -3.778 18.588 -1.762 1.00 0.00 C ATOM 1067 CE2 TYR A 67 -2.947 20.256 -3.333 1.00 0.00 C ATOM 1068 CZ TYR A 67 -3.134 19.820 -2.006 1.00 0.00 C ATOM 1069 OH TYR A 67 -2.666 20.578 -0.980 1.00 0.00 O ATOM 0 H TYR A 67 -6.521 16.170 -4.403 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.162 18.684 -5.850 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.384 16.328 -5.061 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.823 17.556 -6.179 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.680 16.835 -2.652 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.284 19.823 -5.422 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.940 18.256 -0.747 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.448 21.194 -3.526 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.408 19.996 -0.235 1.00 0.00 H new ATOM 1079 N THR A 68 -6.997 16.087 -7.444 1.00 0.00 N ATOM 1080 CA THR A 68 -6.986 15.230 -8.645 1.00 0.00 C ATOM 1081 C THR A 68 -7.775 15.723 -9.859 1.00 0.00 C ATOM 1082 O THR A 68 -7.761 15.050 -10.888 1.00 0.00 O ATOM 1083 CB THR A 68 -7.416 13.800 -8.279 1.00 0.00 C ATOM 1084 OG1 THR A 68 -8.538 13.795 -7.423 1.00 0.00 O ATOM 1085 CG2 THR A 68 -6.276 13.100 -7.544 1.00 0.00 C ATOM 0 H THR A 68 -7.727 15.837 -6.777 1.00 0.00 H new ATOM 0 HA THR A 68 -5.949 15.265 -8.979 1.00 0.00 H new ATOM 0 HB THR A 68 -7.669 13.289 -9.208 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.785 12.870 -7.212 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.579 12.086 -7.284 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.397 13.062 -8.188 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.036 13.652 -6.635 1.00 0.00 H new ATOM 1093 N SER A 69 -8.453 16.870 -9.798 1.00 0.00 N ATOM 1094 CA SER A 69 -9.408 17.301 -10.835 1.00 0.00 C ATOM 1095 C SER A 69 -8.764 18.070 -12.010 1.00 0.00 C ATOM 1096 O SER A 69 -9.315 19.071 -12.479 1.00 0.00 O ATOM 1097 CB SER A 69 -10.589 18.046 -10.193 1.00 0.00 C ATOM 1098 OG SER A 69 -11.200 17.245 -9.190 1.00 0.00 O ATOM 0 H SER A 69 -8.359 17.532 -9.028 1.00 0.00 H new ATOM 0 HA SER A 69 -9.796 16.398 -11.307 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.241 18.982 -9.757 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.322 18.303 -10.957 1.00 0.00 H new ATOM 0 HG SER A 69 -11.949 17.735 -8.791 1.00 0.00 H new ATOM 1104 N THR A 70 -7.601 17.612 -12.500 1.00 0.00 N ATOM 1105 CA THR A 70 -6.961 18.075 -13.753 1.00 0.00 C ATOM 1106 C THR A 70 -6.374 16.905 -14.551 1.00 0.00 C ATOM 1107 O THR A 70 -6.054 15.847 -14.001 1.00 0.00 O ATOM 1108 CB THR A 70 -5.869 19.153 -13.551 1.00 0.00 C ATOM 1109 OG1 THR A 70 -4.625 18.588 -13.198 1.00 0.00 O ATOM 1110 CG2 THR A 70 -6.202 20.219 -12.509 1.00 0.00 C ATOM 0 H THR A 70 -7.060 16.889 -12.026 1.00 0.00 H new ATOM 0 HA THR A 70 -7.770 18.542 -14.315 1.00 0.00 H new ATOM 0 HB THR A 70 -5.818 19.638 -14.526 1.00 0.00 H new ATOM 0 HG1 THR A 70 -3.963 19.301 -13.081 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.378 20.929 -12.439 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.110 20.745 -12.804 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.356 19.745 -11.540 1.00 0.00 H new ATOM 1118 N ALA A 71 -6.150 17.106 -15.855 1.00 0.00 N ATOM 1119 CA ALA A 71 -5.557 16.113 -16.756 1.00 0.00 C ATOM 1120 C ALA A 71 -4.076 15.782 -16.448 1.00 0.00 C ATOM 1121 O ALA A 71 -3.517 14.859 -17.046 1.00 0.00 O ATOM 1122 CB ALA A 71 -5.729 16.616 -18.194 1.00 0.00 C ATOM 0 H ALA A 71 -6.381 17.983 -16.322 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.081 15.169 -16.608 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.295 15.894 -18.886 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -6.790 16.737 -18.413 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.224 17.575 -18.307 1.00 0.00 H new ATOM 1128 N GLU A 72 -3.445 16.506 -15.519 1.00 0.00 N ATOM 1129 CA GLU A 72 -2.108 16.224 -14.973 1.00 0.00 C ATOM 1130 C GLU A 72 -2.159 15.252 -13.772 1.00 0.00 C ATOM 1131 O GLU A 72 -1.139 14.668 -13.394 1.00 0.00 O ATOM 1132 CB GLU A 72 -1.463 17.572 -14.596 1.00 0.00 C ATOM 1133 CG GLU A 72 0.060 17.547 -14.410 1.00 0.00 C ATOM 1134 CD GLU A 72 0.821 17.298 -15.722 1.00 0.00 C ATOM 1135 OE1 GLU A 72 1.622 16.335 -15.789 1.00 0.00 O ATOM 1136 OE2 GLU A 72 0.696 18.112 -16.671 1.00 0.00 O ATOM 0 H GLU A 72 -3.866 17.339 -15.108 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.503 15.718 -15.725 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.705 18.300 -15.371 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.919 17.927 -13.672 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.384 18.496 -13.983 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.320 16.769 -13.692 1.00 0.00 H new ATOM 1144 N HIS A 73 -3.345 15.037 -13.188 1.00 0.00 N ATOM 1145 CA HIS A 73 -3.562 14.260 -11.959 1.00 0.00 C ATOM 1146 C HIS A 73 -4.614 13.131 -12.104 1.00 0.00 C ATOM 1147 O HIS A 73 -5.053 12.544 -11.113 1.00 0.00 O ATOM 1148 CB HIS A 73 -3.870 15.234 -10.812 1.00 0.00 C ATOM 1149 CG HIS A 73 -2.820 16.303 -10.592 1.00 0.00 C ATOM 1150 ND1 HIS A 73 -1.464 16.119 -10.425 1.00 0.00 N ATOM 1151 CD2 HIS A 73 -3.039 17.651 -10.544 1.00 0.00 C ATOM 1152 CE1 HIS A 73 -0.888 17.322 -10.276 1.00 0.00 C ATOM 1153 NE2 HIS A 73 -1.814 18.294 -10.311 1.00 0.00 N ATOM 0 H HIS A 73 -4.212 15.413 -13.572 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.646 13.716 -11.730 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -4.826 15.718 -11.011 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -3.987 14.664 -9.891 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.995 18.139 -10.665 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.172 17.485 -10.146 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -1.659 19.295 -10.192 1.00 0.00 H new ATOM 1162 N VAL A 74 -4.995 12.768 -13.333 1.00 0.00 N ATOM 1163 CA VAL A 74 -5.955 11.682 -13.627 1.00 0.00 C ATOM 1164 C VAL A 74 -5.376 10.261 -13.455 1.00 0.00 C ATOM 1165 O VAL A 74 -6.135 9.302 -13.318 1.00 0.00 O ATOM 1166 CB VAL A 74 -6.595 11.926 -15.010 1.00 0.00 C ATOM 1167 CG1 VAL A 74 -5.604 11.713 -16.161 1.00 0.00 C ATOM 1168 CG2 VAL A 74 -7.850 11.082 -15.250 1.00 0.00 C ATOM 0 H VAL A 74 -4.641 13.226 -14.173 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.740 11.718 -12.872 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.893 12.974 -14.996 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.105 11.897 -17.111 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.767 12.402 -16.052 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.235 10.688 -16.138 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.252 11.300 -16.240 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.595 10.024 -15.187 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.598 11.320 -14.494 1.00 0.00 H new ATOM 1178 N ALA A 75 -4.050 10.106 -13.368 1.00 0.00 N ATOM 1179 CA ALA A 75 -3.414 8.875 -12.875 1.00 0.00 C ATOM 1180 C ALA A 75 -3.268 8.897 -11.342 1.00 0.00 C ATOM 1181 O ALA A 75 -3.558 7.904 -10.676 1.00 0.00 O ATOM 1182 CB ALA A 75 -2.073 8.661 -13.589 1.00 0.00 C ATOM 0 H ALA A 75 -3.385 10.831 -13.638 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.055 8.025 -13.108 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.606 7.748 -13.220 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.242 8.574 -14.662 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.417 9.509 -13.393 1.00 0.00 H new ATOM 1188 N ILE A 76 -2.927 10.056 -10.755 1.00 0.00 N ATOM 1189 CA ILE A 76 -2.945 10.283 -9.293 1.00 0.00 C ATOM 1190 C ILE A 76 -4.315 9.914 -8.683 1.00 0.00 C ATOM 1191 O ILE A 76 -4.369 9.342 -7.593 1.00 0.00 O ATOM 1192 CB ILE A 76 -2.585 11.756 -8.981 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -1.184 12.202 -9.455 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -2.756 12.126 -7.504 1.00 0.00 C ATOM 1195 CD1 ILE A 76 0.008 11.449 -8.850 1.00 0.00 C ATOM 0 H ILE A 76 -2.627 10.874 -11.285 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.198 9.633 -8.838 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.317 12.304 -9.574 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.140 12.098 -10.539 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.068 13.263 -9.231 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.486 13.172 -7.357 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.794 11.974 -7.209 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.109 11.496 -6.894 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.936 11.850 -9.258 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.004 11.572 -7.767 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.069 10.390 -9.095 1.00 0.00 H new ATOM 1207 N ARG A 77 -5.417 10.176 -9.401 1.00 0.00 N ATOM 1208 CA ARG A 77 -6.787 9.796 -9.010 1.00 0.00 C ATOM 1209 C ARG A 77 -6.944 8.298 -8.735 1.00 0.00 C ATOM 1210 O ARG A 77 -7.595 7.935 -7.753 1.00 0.00 O ATOM 1211 CB ARG A 77 -7.756 10.278 -10.106 1.00 0.00 C ATOM 1212 CG ARG A 77 -9.219 10.202 -9.648 1.00 0.00 C ATOM 1213 CD ARG A 77 -10.165 10.851 -10.660 1.00 0.00 C ATOM 1214 NE ARG A 77 -10.356 10.025 -11.869 1.00 0.00 N ATOM 1215 CZ ARG A 77 -11.016 10.398 -12.953 1.00 0.00 C ATOM 1216 NH1 ARG A 77 -11.332 11.638 -13.197 1.00 0.00 N ATOM 1217 NH2 ARG A 77 -11.381 9.522 -13.837 1.00 0.00 N ATOM 0 H ARG A 77 -5.382 10.670 -10.292 1.00 0.00 H new ATOM 0 HA ARG A 77 -7.022 10.281 -8.062 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.514 11.305 -10.379 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -7.623 9.670 -11.001 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.501 9.159 -9.504 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.324 10.697 -8.683 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -11.132 11.026 -10.188 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -9.770 11.825 -10.949 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.946 9.091 -11.868 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -11.069 12.370 -12.538 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -11.842 11.876 -14.048 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -11.160 8.536 -13.699 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -11.890 9.819 -14.670 1.00 0.00 H new ATOM 1231 N SER A 78 -6.297 7.461 -9.543 1.00 0.00 N ATOM 1232 CA SER A 78 -6.170 6.016 -9.331 1.00 0.00 C ATOM 1233 C SER A 78 -5.114 5.660 -8.285 1.00 0.00 C ATOM 1234 O SER A 78 -5.385 4.788 -7.458 1.00 0.00 O ATOM 1235 CB SER A 78 -5.883 5.332 -10.667 1.00 0.00 C ATOM 1236 OG SER A 78 -7.018 5.441 -11.510 1.00 0.00 O ATOM 0 H SER A 78 -5.830 7.778 -10.393 1.00 0.00 H new ATOM 0 HA SER A 78 -7.116 5.651 -8.931 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.017 5.792 -11.144 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.637 4.283 -10.505 1.00 0.00 H new ATOM 0 HG SER A 78 -6.832 5.004 -12.367 1.00 0.00 H new ATOM 1242 N LYS A 79 -3.970 6.366 -8.218 1.00 0.00 N ATOM 1243 CA LYS A 79 -2.969 6.126 -7.160 1.00 0.00 C ATOM 1244 C LYS A 79 -3.591 6.248 -5.764 1.00 0.00 C ATOM 1245 O LYS A 79 -3.480 5.303 -4.992 1.00 0.00 O ATOM 1246 CB LYS A 79 -1.711 7.014 -7.273 1.00 0.00 C ATOM 1247 CG LYS A 79 -0.935 6.843 -8.590 1.00 0.00 C ATOM 1248 CD LYS A 79 0.533 7.304 -8.484 1.00 0.00 C ATOM 1249 CE LYS A 79 1.196 7.384 -9.866 1.00 0.00 C ATOM 1250 NZ LYS A 79 1.352 6.048 -10.485 1.00 0.00 N ATOM 0 H LYS A 79 -3.716 7.101 -8.878 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.631 5.101 -7.311 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.007 8.058 -7.172 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.045 6.789 -6.440 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.961 5.795 -8.888 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.433 7.410 -9.376 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.575 8.280 -8.001 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.089 6.612 -7.852 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.597 8.018 -10.519 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.174 7.856 -9.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.804 6.148 -11.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.945 5.450 -9.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.417 5.607 -10.599 1.00 0.00 H new ATOM 1264 N LEU A 80 -4.301 7.338 -5.437 1.00 0.00 N ATOM 1265 CA LEU A 80 -4.909 7.464 -4.102 1.00 0.00 C ATOM 1266 C LEU A 80 -6.135 6.548 -3.896 1.00 0.00 C ATOM 1267 O LEU A 80 -6.322 6.080 -2.773 1.00 0.00 O ATOM 1268 CB LEU A 80 -5.200 8.934 -3.707 1.00 0.00 C ATOM 1269 CG LEU A 80 -4.018 9.831 -3.267 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -2.911 9.107 -2.499 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -3.362 10.545 -4.440 1.00 0.00 C ATOM 0 H LEU A 80 -4.467 8.128 -6.061 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.149 7.103 -3.409 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.682 9.416 -4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.926 8.921 -2.894 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.495 10.543 -2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.128 9.817 -2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.325 8.668 -1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.490 8.319 -3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.539 11.161 -4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.980 9.808 -5.147 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.097 11.178 -4.938 1.00 0.00 H new ATOM 1283 N GLN A 81 -6.936 6.225 -4.923 1.00 0.00 N ATOM 1284 CA GLN A 81 -8.107 5.341 -4.748 1.00 0.00 C ATOM 1285 C GLN A 81 -7.769 3.848 -4.641 1.00 0.00 C ATOM 1286 O GLN A 81 -8.455 3.161 -3.878 1.00 0.00 O ATOM 1287 CB GLN A 81 -9.199 5.621 -5.799 1.00 0.00 C ATOM 1288 CG GLN A 81 -10.105 6.745 -5.269 1.00 0.00 C ATOM 1289 CD GLN A 81 -11.071 7.333 -6.286 1.00 0.00 C ATOM 1290 OE1 GLN A 81 -12.287 7.230 -6.168 1.00 0.00 O ATOM 1291 NE2 GLN A 81 -10.575 8.025 -7.287 1.00 0.00 N ATOM 0 H GLN A 81 -6.799 6.558 -5.877 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.514 5.599 -3.770 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.747 5.913 -6.747 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.783 4.720 -5.988 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.680 6.360 -4.427 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.475 7.547 -4.885 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.565 8.116 -7.393 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.200 8.471 -7.958 1.00 0.00 H new ATOM 1300 N TYR A 82 -6.700 3.349 -5.279 1.00 0.00 N ATOM 1301 CA TYR A 82 -6.198 2.004 -4.964 1.00 0.00 C ATOM 1302 C TYR A 82 -5.464 2.002 -3.616 1.00 0.00 C ATOM 1303 O TYR A 82 -5.693 1.107 -2.807 1.00 0.00 O ATOM 1304 CB TYR A 82 -5.344 1.408 -6.102 1.00 0.00 C ATOM 1305 CG TYR A 82 -3.902 1.108 -5.721 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -3.567 -0.097 -5.062 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -2.921 2.096 -5.921 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -2.250 -0.316 -4.617 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -1.610 1.890 -5.443 1.00 0.00 C ATOM 1310 CZ TYR A 82 -1.269 0.680 -4.793 1.00 0.00 C ATOM 1311 OH TYR A 82 -0.008 0.493 -4.315 1.00 0.00 O ATOM 0 H TYR A 82 -6.176 3.844 -6.001 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.061 1.345 -4.872 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.814 0.487 -6.447 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.347 2.102 -6.943 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.323 -0.851 -4.900 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.171 3.010 -6.439 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.991 -1.249 -4.140 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -0.863 2.659 -5.574 1.00 0.00 H new ATOM 0 HH TYR A 82 0.642 0.686 -5.023 1.00 0.00 H new ATOM 1321 N ARG A 83 -4.634 3.018 -3.320 1.00 0.00 N ATOM 1322 CA ARG A 83 -3.874 3.088 -2.058 1.00 0.00 C ATOM 1323 C ARG A 83 -4.804 3.159 -0.839 1.00 0.00 C ATOM 1324 O ARG A 83 -4.487 2.588 0.197 1.00 0.00 O ATOM 1325 CB ARG A 83 -2.882 4.267 -2.124 1.00 0.00 C ATOM 1326 CG ARG A 83 -1.734 4.196 -1.107 1.00 0.00 C ATOM 1327 CD ARG A 83 -0.492 3.489 -1.692 1.00 0.00 C ATOM 1328 NE ARG A 83 0.345 4.425 -2.479 1.00 0.00 N ATOM 1329 CZ ARG A 83 1.194 4.154 -3.459 1.00 0.00 C ATOM 1330 NH1 ARG A 83 1.320 2.990 -4.019 1.00 0.00 N ATOM 1331 NH2 ARG A 83 1.985 5.094 -3.871 1.00 0.00 N ATOM 0 H ARG A 83 -4.471 3.809 -3.944 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.299 2.170 -1.933 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.458 4.312 -3.127 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.431 5.196 -1.968 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.464 5.204 -0.793 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.069 3.664 -0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.100 3.062 -0.882 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.808 2.661 -2.326 1.00 0.00 H new ATOM 0 HE ARG A 83 0.255 5.411 -2.233 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.742 2.209 -3.708 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.997 2.856 -4.770 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.945 6.019 -3.442 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.647 4.909 -4.624 1.00 0.00 H new ATOM 1345 N LEU A 84 -5.977 3.788 -0.968 1.00 0.00 N ATOM 1346 CA LEU A 84 -7.046 3.783 0.041 1.00 0.00 C ATOM 1347 C LEU A 84 -7.693 2.398 0.218 1.00 0.00 C ATOM 1348 O LEU A 84 -7.897 1.947 1.346 1.00 0.00 O ATOM 1349 CB LEU A 84 -8.074 4.853 -0.366 1.00 0.00 C ATOM 1350 CG LEU A 84 -9.257 5.092 0.594 1.00 0.00 C ATOM 1351 CD1 LEU A 84 -8.834 5.255 2.050 1.00 0.00 C ATOM 1352 CD2 LEU A 84 -9.961 6.387 0.192 1.00 0.00 C ATOM 0 H LEU A 84 -6.217 4.329 -1.798 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.624 4.018 1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.546 5.798 -0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.479 4.580 -1.340 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.898 4.214 0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.716 5.420 2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.321 4.353 2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.163 6.109 2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.800 6.568 0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.259 7.218 0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.327 6.300 -0.831 1.00 0.00 H new ATOM 1364 N GLU A 85 -7.994 1.695 -0.873 1.00 0.00 N ATOM 1365 CA GLU A 85 -8.530 0.324 -0.817 1.00 0.00 C ATOM 1366 C GLU A 85 -7.510 -0.708 -0.317 1.00 0.00 C ATOM 1367 O GLU A 85 -7.889 -1.643 0.393 1.00 0.00 O ATOM 1368 CB GLU A 85 -9.112 -0.080 -2.181 1.00 0.00 C ATOM 1369 CG GLU A 85 -10.580 0.356 -2.252 1.00 0.00 C ATOM 1370 CD GLU A 85 -11.309 -0.283 -3.433 1.00 0.00 C ATOM 1371 OE1 GLU A 85 -11.794 -1.431 -3.269 1.00 0.00 O ATOM 1372 OE2 GLU A 85 -11.483 0.371 -4.488 1.00 0.00 O ATOM 0 H GLU A 85 -7.876 2.053 -1.821 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.331 0.330 -0.078 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.543 0.386 -2.985 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -9.033 -1.158 -2.318 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.084 0.085 -1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.632 1.441 -2.338 1.00 0.00 H new ATOM 1380 N LEU A 86 -6.220 -0.524 -0.600 1.00 0.00 N ATOM 1381 CA LEU A 86 -5.161 -1.384 -0.082 1.00 0.00 C ATOM 1382 C LEU A 86 -4.717 -0.989 1.338 1.00 0.00 C ATOM 1383 O LEU A 86 -4.288 -1.864 2.080 1.00 0.00 O ATOM 1384 CB LEU A 86 -4.016 -1.483 -1.107 1.00 0.00 C ATOM 1385 CG LEU A 86 -3.014 -2.614 -0.796 1.00 0.00 C ATOM 1386 CD1 LEU A 86 -3.651 -4.008 -0.721 1.00 0.00 C ATOM 1387 CD2 LEU A 86 -1.932 -2.680 -1.864 1.00 0.00 C ATOM 0 H LEU A 86 -5.881 0.230 -1.198 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.556 -2.392 0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.439 -1.644 -2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.483 -0.533 -1.138 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.608 -2.363 0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.882 -4.748 -0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.406 -4.021 0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.119 -4.246 -1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.235 -3.484 -1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.390 -2.871 -2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.395 -1.732 -1.897 1.00 0.00 H new ATOM 1399 N ALA A 87 -4.934 0.251 1.799 1.00 0.00 N ATOM 1400 CA ALA A 87 -4.846 0.585 3.227 1.00 0.00 C ATOM 1401 C ALA A 87 -5.880 -0.210 4.047 1.00 0.00 C ATOM 1402 O ALA A 87 -5.536 -0.831 5.053 1.00 0.00 O ATOM 1403 CB ALA A 87 -5.041 2.097 3.425 1.00 0.00 C ATOM 0 H ALA A 87 -5.173 1.042 1.201 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.855 0.308 3.586 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.974 2.337 4.486 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.266 2.638 2.882 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.021 2.390 3.048 1.00 0.00 H new ATOM 1409 N GLN A 88 -7.130 -0.264 3.566 1.00 0.00 N ATOM 1410 CA GLN A 88 -8.193 -1.111 4.129 1.00 0.00 C ATOM 1411 C GLN A 88 -7.861 -2.615 4.005 1.00 0.00 C ATOM 1412 O GLN A 88 -8.231 -3.414 4.867 1.00 0.00 O ATOM 1413 CB GLN A 88 -9.521 -0.783 3.431 1.00 0.00 C ATOM 1414 CG GLN A 88 -10.044 0.621 3.778 1.00 0.00 C ATOM 1415 CD GLN A 88 -11.122 1.071 2.805 1.00 0.00 C ATOM 1416 OE1 GLN A 88 -12.316 0.848 2.990 1.00 0.00 O ATOM 1417 NE2 GLN A 88 -10.726 1.703 1.725 1.00 0.00 N ATOM 0 H GLN A 88 -7.436 0.287 2.764 1.00 0.00 H new ATOM 0 HA GLN A 88 -8.277 -0.897 5.195 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.388 -0.860 2.352 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.268 -1.525 3.714 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.445 0.621 4.792 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.218 1.332 3.762 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.734 1.886 1.576 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -11.411 2.011 1.035 1.00 0.00 H new ATOM 1426 N GLY A 89 -7.107 -2.988 2.966 1.00 0.00 N ATOM 1427 CA GLY A 89 -6.585 -4.336 2.729 1.00 0.00 C ATOM 1428 C GLY A 89 -5.522 -4.741 3.751 1.00 0.00 C ATOM 1429 O GLY A 89 -5.625 -5.793 4.380 1.00 0.00 O ATOM 0 H GLY A 89 -6.833 -2.330 2.237 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.407 -5.051 2.762 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.159 -4.386 1.727 1.00 0.00 H new ATOM 1433 N ALA A 90 -4.529 -3.881 3.976 1.00 0.00 N ATOM 1434 CA ALA A 90 -3.409 -4.123 4.876 1.00 0.00 C ATOM 1435 C ALA A 90 -3.832 -4.080 6.352 1.00 0.00 C ATOM 1436 O ALA A 90 -3.393 -4.926 7.134 1.00 0.00 O ATOM 1437 CB ALA A 90 -2.309 -3.108 4.549 1.00 0.00 C ATOM 0 H ALA A 90 -4.483 -2.969 3.521 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.025 -5.132 4.723 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.458 -3.268 5.210 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.993 -3.235 3.514 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.693 -2.098 4.690 1.00 0.00 H new ATOM 1443 N VAL A 91 -4.751 -3.182 6.737 1.00 0.00 N ATOM 1444 CA VAL A 91 -5.286 -3.167 8.116 1.00 0.00 C ATOM 1445 C VAL A 91 -6.185 -4.381 8.388 1.00 0.00 C ATOM 1446 O VAL A 91 -6.147 -4.930 9.490 1.00 0.00 O ATOM 1447 CB VAL A 91 -5.972 -1.823 8.445 1.00 0.00 C ATOM 1448 CG1 VAL A 91 -7.356 -1.666 7.814 1.00 0.00 C ATOM 1449 CG2 VAL A 91 -6.113 -1.611 9.956 1.00 0.00 C ATOM 0 H VAL A 91 -5.138 -2.463 6.125 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.442 -3.254 8.800 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.311 -1.071 8.014 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.774 -0.698 8.090 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.270 -1.728 6.729 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.011 -2.460 8.172 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.600 -0.654 10.145 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.714 -2.415 10.382 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.125 -1.613 10.417 1.00 0.00 H new