USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 803 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 86 HIS : no HD1:sc= 0.527 K(o=1.7,f=-2) USER MOD Set 1.2: A 91 THR OG1 : rot -113:sc= 1.13 USER MOD Set 2.1: A 46 ASN : amide:sc= -2.9! C(o=-2.8!,f=-1.7!) USER MOD Set 2.2: A 78 SER OG : rot -109:sc= 0.0571 USER MOD Set 3.1: A 33 HIS : no HD1:sc= -3.41! C(o=-3.4!,f=-3.3!) USER MOD Set 3.2: A 58 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 7 HIS : no HD1:sc= -0.0159 X(o=-0.029,f=-0.011) USER MOD Set 4.2: A 8 HIS : no HD1:sc= -0.0133 X(o=-0.029,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -130:sc= 0.0894 (180deg=-0.0741) USER MOD Single : A 3 HIS : no HD1:sc= -1.56 K(o=-1.6,f=-0.26) USER MOD Single : A 4 HIS : no HE2:sc= -0.565 K(o=-0.54,f=-1.9) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 6 HIS : no HD1:sc=-0.00756 X(o=-0.0076,f=-0.0075) USER MOD Single : A 10 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.2) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.482 K(o=-0.48,f=-5.3!) USER MOD Single : A 15 SER OG : rot 180:sc= 0.011 USER MOD Single : A 16 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.12) USER MOD Single : A 17 MET CE :methyl -142:sc= -0.11 (180deg=-0.539) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -1.65! K(o=-1.6!,f=-0.0039) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HE2:sc= -0.187 K(o=-0.077,f=-3.1) USER MOD Single : A 56 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.39) USER MOD Single : A 59 LYS NZ :NH3+ -150:sc= 0.516 (180deg=0.116) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 157:sc= 1.7 (180deg=1.06) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -4.39 K(o=-4.4,f=-0.76) USER MOD Single : A 87 SER OG : rot -150:sc= -0.501 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.211 X(o=-0.21,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.612 17.058 9.858 1.00 14.52 N ATOM 2 CA MET A 1 -2.373 17.066 9.041 1.00 15.01 C ATOM 3 C MET A 1 -1.538 15.804 9.304 1.00 72.13 C ATOM 4 O MET A 1 -1.874 15.002 10.177 1.00 54.01 O ATOM 5 CB MET A 1 -1.547 18.357 9.309 1.00 62.40 C ATOM 6 CG MET A 1 -2.275 19.651 8.910 1.00 55.30 C ATOM 7 SD MET A 1 -2.697 19.691 7.148 1.00 21.45 S ATOM 8 CE MET A 1 -3.584 21.249 7.013 1.00 51.22 C ATOM 0 H1 MET A 1 -4.431 17.256 9.248 1.00 14.52 H new ATOM 0 H2 MET A 1 -3.729 16.125 10.303 1.00 14.52 H new ATOM 0 H3 MET A 1 -3.546 17.787 10.596 1.00 14.52 H new ATOM 0 HA MET A 1 -2.655 17.063 7.988 1.00 15.01 H new ATOM 0 HB2 MET A 1 -1.296 18.404 10.369 1.00 62.40 H new ATOM 0 HB3 MET A 1 -0.607 18.296 8.761 1.00 62.40 H new ATOM 0 HG2 MET A 1 -3.185 19.750 9.501 1.00 55.30 H new ATOM 0 HG3 MET A 1 -1.645 20.508 9.150 1.00 55.30 H new ATOM 0 HE1 MET A 1 -3.901 21.399 5.981 1.00 51.22 H new ATOM 0 HE2 MET A 1 -4.460 21.227 7.662 1.00 51.22 H new ATOM 0 HE3 MET A 1 -2.930 22.067 7.314 1.00 51.22 H new ATOM 20 N GLY A 2 -0.464 15.620 8.512 1.00 62.11 N ATOM 21 CA GLY A 2 0.438 14.484 8.670 1.00 73.21 C ATOM 22 C GLY A 2 1.292 14.262 7.433 1.00 71.44 C ATOM 23 O GLY A 2 0.816 13.717 6.432 1.00 11.50 O ATOM 0 H GLY A 2 -0.207 16.253 7.755 1.00 62.11 H new ATOM 0 HA2 GLY A 2 1.084 14.651 9.532 1.00 73.21 H new ATOM 0 HA3 GLY A 2 -0.143 13.585 8.876 1.00 73.21 H new ATOM 27 N HIS A 3 2.552 14.709 7.512 1.00 71.05 N ATOM 28 CA HIS A 3 3.567 14.543 6.451 1.00 22.51 C ATOM 29 C HIS A 3 4.908 14.140 7.084 1.00 71.44 C ATOM 30 O HIS A 3 5.098 14.267 8.300 1.00 65.43 O ATOM 31 CB HIS A 3 3.729 15.864 5.611 1.00 42.13 C ATOM 32 CG HIS A 3 2.997 15.900 4.283 1.00 25.12 C ATOM 33 ND1 HIS A 3 2.915 17.038 3.495 1.00 45.31 N ATOM 34 CD2 HIS A 3 2.377 14.929 3.579 1.00 74.13 C ATOM 35 CE1 HIS A 3 2.280 16.751 2.373 1.00 21.23 C ATOM 36 NE2 HIS A 3 1.945 15.481 2.402 1.00 72.31 N ATOM 0 H HIS A 3 2.906 15.206 8.329 1.00 71.05 H new ATOM 0 HA HIS A 3 3.238 13.757 5.771 1.00 22.51 H new ATOM 0 HB2 HIS A 3 3.383 16.701 6.217 1.00 42.13 H new ATOM 0 HB3 HIS A 3 4.791 16.024 5.423 1.00 42.13 H new ATOM 0 HD2 HIS A 3 2.245 13.903 3.888 1.00 74.13 H new ATOM 0 HE1 HIS A 3 2.072 17.442 1.569 1.00 21.23 H new ATOM 0 HE2 HIS A 3 1.443 14.985 1.665 1.00 72.31 H new ATOM 45 N HIS A 4 5.825 13.648 6.239 1.00 70.52 N ATOM 46 CA HIS A 4 7.211 13.332 6.623 1.00 44.22 C ATOM 47 C HIS A 4 8.152 14.317 5.921 1.00 72.05 C ATOM 48 O HIS A 4 7.951 14.643 4.744 1.00 42.01 O ATOM 49 CB HIS A 4 7.577 11.876 6.232 1.00 12.03 C ATOM 50 CG HIS A 4 6.656 10.830 6.805 1.00 11.44 C ATOM 51 ND1 HIS A 4 5.627 10.274 6.083 1.00 63.31 N ATOM 52 CD2 HIS A 4 6.611 10.244 8.028 1.00 71.23 C ATOM 53 CE1 HIS A 4 4.997 9.394 6.821 1.00 51.01 C ATOM 54 NE2 HIS A 4 5.568 9.352 8.007 1.00 44.31 N ATOM 0 H HIS A 4 5.624 13.455 5.258 1.00 70.52 H new ATOM 0 HA HIS A 4 7.313 13.422 7.704 1.00 44.22 H new ATOM 0 HB2 HIS A 4 7.572 11.792 5.145 1.00 12.03 H new ATOM 0 HB3 HIS A 4 8.594 11.668 6.563 1.00 12.03 H new ATOM 0 HD1 HIS A 4 5.390 10.511 5.120 1.00 63.31 H new ATOM 0 HD2 HIS A 4 7.271 10.442 8.860 1.00 71.23 H new ATOM 0 HE1 HIS A 4 4.150 8.801 6.509 1.00 51.01 H new ATOM 63 N HIS A 5 9.167 14.792 6.645 1.00 13.31 N ATOM 64 CA HIS A 5 10.176 15.712 6.120 1.00 44.45 C ATOM 65 C HIS A 5 11.531 14.988 6.049 1.00 73.30 C ATOM 66 O HIS A 5 12.155 14.735 7.081 1.00 33.25 O ATOM 67 CB HIS A 5 10.263 16.970 7.022 1.00 5.11 C ATOM 68 CG HIS A 5 11.258 17.995 6.538 1.00 3.21 C ATOM 69 ND1 HIS A 5 12.479 18.205 7.138 1.00 34.21 N ATOM 70 CD2 HIS A 5 11.210 18.852 5.488 1.00 44.51 C ATOM 71 CE1 HIS A 5 13.135 19.133 6.477 1.00 64.42 C ATOM 72 NE2 HIS A 5 12.390 19.543 5.480 1.00 42.12 N ATOM 0 H HIS A 5 9.313 14.545 7.624 1.00 13.31 H new ATOM 0 HA HIS A 5 9.898 16.035 5.117 1.00 44.45 H new ATOM 0 HB2 HIS A 5 9.278 17.433 7.081 1.00 5.11 H new ATOM 0 HB3 HIS A 5 10.533 16.664 8.033 1.00 5.11 H new ATOM 0 HD2 HIS A 5 10.394 18.967 4.790 1.00 44.51 H new ATOM 0 HE1 HIS A 5 14.123 19.497 6.716 1.00 64.42 H new ATOM 0 HE2 HIS A 5 12.649 20.263 4.805 1.00 42.12 H new ATOM 81 N HIS A 6 11.949 14.615 4.827 1.00 53.32 N ATOM 82 CA HIS A 6 13.271 14.005 4.566 1.00 50.31 C ATOM 83 C HIS A 6 14.121 14.977 3.731 1.00 23.44 C ATOM 84 O HIS A 6 13.975 15.029 2.505 1.00 21.42 O ATOM 85 CB HIS A 6 13.146 12.643 3.804 1.00 2.54 C ATOM 86 CG HIS A 6 12.486 11.513 4.563 1.00 51.14 C ATOM 87 ND1 HIS A 6 12.942 10.208 4.524 1.00 34.10 N ATOM 88 CD2 HIS A 6 11.380 11.485 5.348 1.00 61.30 C ATOM 89 CE1 HIS A 6 12.150 9.445 5.247 1.00 72.24 C ATOM 90 NE2 HIS A 6 11.198 10.193 5.755 1.00 12.43 N ATOM 0 H HIS A 6 11.380 14.727 3.988 1.00 53.32 H new ATOM 0 HA HIS A 6 13.745 13.808 5.528 1.00 50.31 H new ATOM 0 HB2 HIS A 6 12.584 12.814 2.886 1.00 2.54 H new ATOM 0 HB3 HIS A 6 14.145 12.321 3.510 1.00 2.54 H new ATOM 0 HD2 HIS A 6 10.757 12.329 5.604 1.00 61.30 H new ATOM 0 HE1 HIS A 6 12.264 8.382 5.397 1.00 72.24 H new ATOM 0 HE2 HIS A 6 10.444 9.863 6.357 1.00 12.43 H new ATOM 99 N HIS A 7 14.956 15.792 4.402 1.00 64.22 N ATOM 100 CA HIS A 7 16.017 16.579 3.725 1.00 34.51 C ATOM 101 C HIS A 7 17.291 15.713 3.724 1.00 4.44 C ATOM 102 O HIS A 7 17.448 14.883 4.627 1.00 33.04 O ATOM 103 CB HIS A 7 16.247 17.967 4.401 1.00 1.34 C ATOM 104 CG HIS A 7 16.970 17.934 5.729 1.00 64.11 C ATOM 105 ND1 HIS A 7 16.366 17.584 6.911 1.00 3.12 N ATOM 106 CD2 HIS A 7 18.262 18.211 6.046 1.00 51.13 C ATOM 107 CE1 HIS A 7 17.246 17.647 7.891 1.00 50.24 C ATOM 108 NE2 HIS A 7 18.402 18.026 7.396 1.00 11.44 N ATOM 0 H HIS A 7 14.921 15.926 5.412 1.00 64.22 H new ATOM 0 HA HIS A 7 15.718 16.813 2.703 1.00 34.51 H new ATOM 0 HB2 HIS A 7 16.813 18.596 3.715 1.00 1.34 H new ATOM 0 HB3 HIS A 7 15.278 18.445 4.546 1.00 1.34 H new ATOM 0 HD2 HIS A 7 19.036 18.520 5.360 1.00 51.13 H new ATOM 0 HE1 HIS A 7 17.049 17.424 8.929 1.00 50.24 H new ATOM 0 HE2 HIS A 7 19.262 18.160 7.929 1.00 11.44 H new ATOM 117 N HIS A 8 18.197 15.938 2.748 1.00 11.14 N ATOM 118 CA HIS A 8 19.256 14.967 2.359 1.00 11.44 C ATOM 119 C HIS A 8 18.587 13.729 1.716 1.00 64.15 C ATOM 120 O HIS A 8 17.908 12.948 2.402 1.00 22.34 O ATOM 121 CB HIS A 8 20.215 14.575 3.536 1.00 12.23 C ATOM 122 CG HIS A 8 21.300 15.582 3.835 1.00 22.31 C ATOM 123 ND1 HIS A 8 22.645 15.281 3.764 1.00 25.22 N ATOM 124 CD2 HIS A 8 21.236 16.882 4.198 1.00 3.31 C ATOM 125 CE1 HIS A 8 23.352 16.349 4.063 1.00 34.04 C ATOM 126 NE2 HIS A 8 22.526 17.337 4.332 1.00 74.32 N ATOM 0 H HIS A 8 18.219 16.800 2.203 1.00 11.14 H new ATOM 0 HA HIS A 8 19.906 15.453 1.631 1.00 11.44 H new ATOM 0 HB2 HIS A 8 19.619 14.427 4.437 1.00 12.23 H new ATOM 0 HB3 HIS A 8 20.682 13.618 3.302 1.00 12.23 H new ATOM 0 HD2 HIS A 8 20.336 17.458 4.354 1.00 3.31 H new ATOM 0 HE1 HIS A 8 24.430 16.405 4.084 1.00 34.04 H new ATOM 0 HE2 HIS A 8 22.798 18.284 4.596 1.00 74.32 H new ATOM 135 N GLU A 9 18.796 13.567 0.398 1.00 24.01 N ATOM 136 CA GLU A 9 18.049 12.613 -0.441 1.00 44.22 C ATOM 137 C GLU A 9 18.326 11.141 -0.069 1.00 72.52 C ATOM 138 O GLU A 9 17.472 10.284 -0.311 1.00 54.02 O ATOM 139 CB GLU A 9 18.385 12.854 -1.937 1.00 54.13 C ATOM 140 CG GLU A 9 18.262 14.315 -2.416 1.00 53.54 C ATOM 141 CD GLU A 9 16.883 14.944 -2.150 1.00 13.52 C ATOM 142 OE1 GLU A 9 15.945 14.688 -2.930 1.00 54.34 O ATOM 143 OE2 GLU A 9 16.734 15.713 -1.171 1.00 12.00 O ATOM 0 H GLU A 9 19.495 14.100 -0.120 1.00 24.01 H new ATOM 0 HA GLU A 9 16.989 12.791 -0.261 1.00 44.22 H new ATOM 0 HB2 GLU A 9 19.404 12.513 -2.122 1.00 54.13 H new ATOM 0 HB3 GLU A 9 17.726 12.234 -2.544 1.00 54.13 H new ATOM 0 HG2 GLU A 9 19.026 14.915 -1.921 1.00 53.54 H new ATOM 0 HG3 GLU A 9 18.469 14.355 -3.485 1.00 53.54 H new ATOM 150 N ASN A 10 19.540 10.869 0.478 1.00 43.42 N ATOM 151 CA ASN A 10 19.962 9.515 0.940 1.00 35.40 C ATOM 152 C ASN A 10 20.073 8.515 -0.255 1.00 42.31 C ATOM 153 O ASN A 10 20.125 7.296 -0.074 1.00 63.12 O ATOM 154 CB ASN A 10 19.001 9.036 2.094 1.00 54.44 C ATOM 155 CG ASN A 10 19.349 7.683 2.741 1.00 21.12 C ATOM 156 OD1 ASN A 10 20.175 7.611 3.654 1.00 35.24 O ATOM 157 ND2 ASN A 10 18.700 6.608 2.297 1.00 10.44 N ATOM 0 H ASN A 10 20.257 11.582 0.612 1.00 43.42 H new ATOM 0 HA ASN A 10 20.967 9.559 1.359 1.00 35.40 H new ATOM 0 HB2 ASN A 10 18.993 9.798 2.873 1.00 54.44 H new ATOM 0 HB3 ASN A 10 17.988 8.976 1.696 1.00 54.44 H new ATOM 0 HD21 ASN A 10 18.881 5.695 2.714 1.00 10.44 H new ATOM 0 HD22 ASN A 10 18.022 6.698 1.540 1.00 10.44 H new ATOM 164 N LEU A 11 20.198 9.061 -1.488 1.00 20.23 N ATOM 165 CA LEU A 11 20.258 8.260 -2.733 1.00 53.33 C ATOM 166 C LEU A 11 21.733 7.921 -3.080 1.00 75.12 C ATOM 167 O LEU A 11 22.277 8.392 -4.087 1.00 61.20 O ATOM 168 CB LEU A 11 19.561 9.033 -3.907 1.00 4.42 C ATOM 169 CG LEU A 11 18.122 9.585 -3.625 1.00 61.53 C ATOM 170 CD1 LEU A 11 17.580 10.422 -4.812 1.00 3.04 C ATOM 171 CD2 LEU A 11 17.138 8.461 -3.236 1.00 62.13 C ATOM 0 H LEU A 11 20.260 10.067 -1.647 1.00 20.23 H new ATOM 0 HA LEU A 11 19.723 7.323 -2.582 1.00 53.33 H new ATOM 0 HB2 LEU A 11 20.198 9.871 -4.189 1.00 4.42 H new ATOM 0 HB3 LEU A 11 19.508 8.368 -4.769 1.00 4.42 H new ATOM 0 HG LEU A 11 18.207 10.253 -2.768 1.00 61.53 H new ATOM 0 HD11 LEU A 11 16.580 10.785 -4.574 1.00 3.04 H new ATOM 0 HD12 LEU A 11 18.241 11.270 -4.991 1.00 3.04 H new ATOM 0 HD13 LEU A 11 17.537 9.800 -5.706 1.00 3.04 H new ATOM 0 HD21 LEU A 11 16.153 8.888 -3.049 1.00 62.13 H new ATOM 0 HD22 LEU A 11 17.072 7.738 -4.049 1.00 62.13 H new ATOM 0 HD23 LEU A 11 17.494 7.962 -2.335 1.00 62.13 H new ATOM 183 N TYR A 12 22.391 7.139 -2.193 1.00 61.03 N ATOM 184 CA TYR A 12 23.764 6.636 -2.420 1.00 64.42 C ATOM 185 C TYR A 12 23.690 5.349 -3.256 1.00 61.23 C ATOM 186 O TYR A 12 24.181 5.295 -4.388 1.00 41.52 O ATOM 187 CB TYR A 12 24.495 6.373 -1.076 1.00 20.31 C ATOM 188 CG TYR A 12 24.797 7.638 -0.248 1.00 44.54 C ATOM 189 CD1 TYR A 12 23.828 8.225 0.581 1.00 61.22 C ATOM 190 CD2 TYR A 12 26.058 8.246 -0.293 1.00 10.43 C ATOM 191 CE1 TYR A 12 24.110 9.357 1.324 1.00 65.32 C ATOM 192 CE2 TYR A 12 26.335 9.378 0.452 1.00 34.13 C ATOM 193 CZ TYR A 12 25.360 9.928 1.257 1.00 12.22 C ATOM 194 OH TYR A 12 25.639 11.054 2.000 1.00 32.31 O ATOM 0 H TYR A 12 21.987 6.841 -1.305 1.00 61.03 H new ATOM 0 HA TYR A 12 24.336 7.392 -2.958 1.00 64.42 H new ATOM 0 HB2 TYR A 12 23.887 5.698 -0.474 1.00 20.31 H new ATOM 0 HB3 TYR A 12 25.433 5.858 -1.283 1.00 20.31 H new ATOM 0 HD1 TYR A 12 22.844 7.784 0.640 1.00 61.22 H new ATOM 0 HD2 TYR A 12 26.828 7.823 -0.921 1.00 10.43 H new ATOM 0 HE1 TYR A 12 23.350 9.792 1.956 1.00 65.32 H new ATOM 0 HE2 TYR A 12 27.314 9.831 0.403 1.00 34.13 H new ATOM 0 HH TYR A 12 26.566 11.330 1.840 1.00 32.31 H new ATOM 204 N PHE A 13 23.056 4.320 -2.666 1.00 33.15 N ATOM 205 CA PHE A 13 22.709 3.071 -3.358 1.00 4.53 C ATOM 206 C PHE A 13 21.212 3.130 -3.734 1.00 33.33 C ATOM 207 O PHE A 13 20.874 3.447 -4.886 1.00 43.22 O ATOM 208 CB PHE A 13 23.033 1.840 -2.464 1.00 52.20 C ATOM 209 CG PHE A 13 24.529 1.660 -2.170 1.00 30.42 C ATOM 210 CD1 PHE A 13 25.351 0.930 -3.037 1.00 33.34 C ATOM 211 CD2 PHE A 13 25.119 2.236 -1.040 1.00 1.15 C ATOM 212 CE1 PHE A 13 26.700 0.764 -2.767 1.00 52.35 C ATOM 213 CE2 PHE A 13 26.467 2.069 -0.773 1.00 4.53 C ATOM 214 CZ PHE A 13 27.259 1.343 -1.642 1.00 13.22 C ATOM 0 H PHE A 13 22.769 4.334 -1.687 1.00 33.15 H new ATOM 0 HA PHE A 13 23.303 2.961 -4.266 1.00 4.53 H new ATOM 0 HB2 PHE A 13 22.497 1.938 -1.520 1.00 52.20 H new ATOM 0 HB3 PHE A 13 22.658 0.940 -2.952 1.00 52.20 H new ATOM 0 HD1 PHE A 13 24.928 0.490 -3.928 1.00 33.34 H new ATOM 0 HD2 PHE A 13 24.513 2.821 -0.364 1.00 1.15 H new ATOM 0 HE1 PHE A 13 27.316 0.182 -3.436 1.00 52.35 H new ATOM 0 HE2 PHE A 13 26.900 2.506 0.115 1.00 4.53 H new ATOM 0 HZ PHE A 13 28.314 1.228 -1.443 1.00 13.22 H new ATOM 224 N GLN A 14 20.333 2.839 -2.741 1.00 24.53 N ATOM 225 CA GLN A 14 18.856 3.015 -2.802 1.00 14.21 C ATOM 226 C GLN A 14 18.112 2.036 -3.765 1.00 14.20 C ATOM 227 O GLN A 14 16.962 1.671 -3.507 1.00 61.50 O ATOM 228 CB GLN A 14 18.487 4.498 -3.105 1.00 70.52 C ATOM 229 CG GLN A 14 16.989 4.836 -2.976 1.00 53.35 C ATOM 230 CD GLN A 14 16.432 4.641 -1.555 1.00 75.33 C ATOM 231 OE1 GLN A 14 15.961 3.561 -1.206 1.00 51.10 O ATOM 232 NE2 GLN A 14 16.479 5.678 -0.732 1.00 35.34 N ATOM 0 H GLN A 14 20.642 2.463 -1.845 1.00 24.53 H new ATOM 0 HA GLN A 14 18.496 2.748 -1.808 1.00 14.21 H new ATOM 0 HB2 GLN A 14 19.049 5.142 -2.428 1.00 70.52 H new ATOM 0 HB3 GLN A 14 18.812 4.738 -4.117 1.00 70.52 H new ATOM 0 HG2 GLN A 14 16.831 5.871 -3.280 1.00 53.35 H new ATOM 0 HG3 GLN A 14 16.424 4.211 -3.667 1.00 53.35 H new ATOM 0 HE21 GLN A 14 16.876 6.563 -1.049 1.00 35.34 H new ATOM 0 HE22 GLN A 14 16.119 5.592 0.218 1.00 35.34 H new ATOM 241 N SER A 15 18.771 1.599 -4.845 1.00 14.31 N ATOM 242 CA SER A 15 18.180 0.735 -5.885 1.00 23.11 C ATOM 243 C SER A 15 17.841 -0.672 -5.351 1.00 40.20 C ATOM 244 O SER A 15 16.945 -1.343 -5.874 1.00 74.54 O ATOM 245 CB SER A 15 19.161 0.662 -7.072 1.00 11.44 C ATOM 246 OG SER A 15 20.465 0.315 -6.637 1.00 40.10 O ATOM 0 H SER A 15 19.746 1.837 -5.028 1.00 14.31 H new ATOM 0 HA SER A 15 17.234 1.168 -6.210 1.00 23.11 H new ATOM 0 HB2 SER A 15 18.808 -0.074 -7.795 1.00 11.44 H new ATOM 0 HB3 SER A 15 19.189 1.624 -7.584 1.00 11.44 H new ATOM 0 HG SER A 15 21.067 0.274 -7.409 1.00 40.10 H new ATOM 252 N HIS A 16 18.563 -1.108 -4.304 1.00 53.42 N ATOM 253 CA HIS A 16 18.306 -2.388 -3.620 1.00 63.23 C ATOM 254 C HIS A 16 17.895 -2.116 -2.151 1.00 20.20 C ATOM 255 O HIS A 16 18.066 -2.951 -1.262 1.00 15.40 O ATOM 256 CB HIS A 16 19.564 -3.289 -3.722 1.00 12.43 C ATOM 257 CG HIS A 16 19.343 -4.716 -3.278 1.00 3.15 C ATOM 258 ND1 HIS A 16 20.150 -5.353 -2.362 1.00 13.14 N ATOM 259 CD2 HIS A 16 18.383 -5.610 -3.615 1.00 65.14 C ATOM 260 CE1 HIS A 16 19.702 -6.575 -2.161 1.00 32.24 C ATOM 261 NE2 HIS A 16 18.633 -6.754 -2.906 1.00 72.22 N ATOM 0 H HIS A 16 19.342 -0.582 -3.908 1.00 53.42 H new ATOM 0 HA HIS A 16 17.482 -2.918 -4.098 1.00 63.23 H new ATOM 0 HB2 HIS A 16 19.912 -3.292 -4.755 1.00 12.43 H new ATOM 0 HB3 HIS A 16 20.360 -2.852 -3.119 1.00 12.43 H new ATOM 0 HD2 HIS A 16 17.573 -5.450 -4.312 1.00 65.14 H new ATOM 0 HE1 HIS A 16 20.139 -7.306 -1.497 1.00 32.24 H new ATOM 0 HE2 HIS A 16 18.079 -7.609 -2.949 1.00 72.22 H new ATOM 270 N MET A 17 17.324 -0.932 -1.918 1.00 4.32 N ATOM 271 CA MET A 17 16.760 -0.536 -0.622 1.00 74.11 C ATOM 272 C MET A 17 15.254 -0.323 -0.820 1.00 35.34 C ATOM 273 O MET A 17 14.840 0.360 -1.772 1.00 62.14 O ATOM 274 CB MET A 17 17.452 0.756 -0.107 1.00 24.32 C ATOM 275 CG MET A 17 16.963 1.264 1.262 1.00 73.54 C ATOM 276 SD MET A 17 17.802 2.773 1.806 1.00 62.53 S ATOM 277 CE MET A 17 19.519 2.250 1.859 1.00 42.15 C ATOM 0 H MET A 17 17.238 -0.210 -2.633 1.00 4.32 H new ATOM 0 HA MET A 17 16.928 -1.309 0.128 1.00 74.11 H new ATOM 0 HB2 MET A 17 18.525 0.574 -0.046 1.00 24.32 H new ATOM 0 HB3 MET A 17 17.304 1.546 -0.843 1.00 24.32 H new ATOM 0 HG2 MET A 17 15.890 1.451 1.211 1.00 73.54 H new ATOM 0 HG3 MET A 17 17.115 0.483 2.007 1.00 73.54 H new ATOM 0 HE1 MET A 17 20.012 2.708 2.716 1.00 42.15 H new ATOM 0 HE2 MET A 17 19.566 1.165 1.950 1.00 42.15 H new ATOM 0 HE3 MET A 17 20.022 2.560 0.943 1.00 42.15 H new ATOM 287 N THR A 18 14.439 -0.920 0.073 1.00 23.05 N ATOM 288 CA THR A 18 12.970 -0.869 -0.022 1.00 55.53 C ATOM 289 C THR A 18 12.418 0.553 0.159 1.00 14.43 C ATOM 290 O THR A 18 11.294 0.815 -0.251 1.00 60.21 O ATOM 291 CB THR A 18 12.294 -1.822 1.016 1.00 23.15 C ATOM 292 OG1 THR A 18 12.788 -1.549 2.335 1.00 65.53 O ATOM 293 CG2 THR A 18 12.543 -3.294 0.679 1.00 11.40 C ATOM 0 H THR A 18 14.781 -1.448 0.876 1.00 23.05 H new ATOM 0 HA THR A 18 12.725 -1.204 -1.030 1.00 55.53 H new ATOM 0 HB THR A 18 11.221 -1.637 0.976 1.00 23.15 H new ATOM 0 HG1 THR A 18 12.356 -2.151 2.977 1.00 65.53 H new ATOM 0 HG21 THR A 18 12.057 -3.925 1.423 1.00 11.40 H new ATOM 0 HG22 THR A 18 12.134 -3.516 -0.307 1.00 11.40 H new ATOM 0 HG23 THR A 18 13.615 -3.491 0.680 1.00 11.40 H new ATOM 301 N ASP A 19 13.235 1.448 0.750 1.00 13.32 N ATOM 302 CA ASP A 19 12.856 2.846 1.039 1.00 34.33 C ATOM 303 C ASP A 19 12.374 3.569 -0.230 1.00 21.10 C ATOM 304 O ASP A 19 11.417 4.322 -0.163 1.00 74.41 O ATOM 305 CB ASP A 19 14.038 3.624 1.681 1.00 20.23 C ATOM 306 CG ASP A 19 13.664 5.072 2.074 1.00 32.00 C ATOM 307 OD1 ASP A 19 13.009 5.257 3.123 1.00 42.31 O ATOM 308 OD2 ASP A 19 14.006 6.018 1.334 1.00 53.31 O ATOM 0 H ASP A 19 14.185 1.219 1.043 1.00 13.32 H new ATOM 0 HA ASP A 19 12.031 2.818 1.751 1.00 34.33 H new ATOM 0 HB2 ASP A 19 14.379 3.089 2.567 1.00 20.23 H new ATOM 0 HB3 ASP A 19 14.873 3.647 0.981 1.00 20.23 H new ATOM 313 N GLU A 20 13.043 3.309 -1.374 1.00 52.15 N ATOM 314 CA GLU A 20 12.670 3.891 -2.684 1.00 1.33 C ATOM 315 C GLU A 20 11.217 3.509 -3.039 1.00 71.32 C ATOM 316 O GLU A 20 10.382 4.371 -3.338 1.00 63.44 O ATOM 317 CB GLU A 20 13.657 3.383 -3.785 1.00 42.10 C ATOM 318 CG GLU A 20 13.751 4.239 -5.081 1.00 11.31 C ATOM 319 CD GLU A 20 12.467 4.296 -5.935 1.00 71.13 C ATOM 320 OE1 GLU A 20 11.837 5.378 -6.039 1.00 73.32 O ATOM 321 OE2 GLU A 20 12.078 3.258 -6.501 1.00 11.03 O ATOM 0 H GLU A 20 13.854 2.692 -1.417 1.00 52.15 H new ATOM 0 HA GLU A 20 12.735 4.978 -2.628 1.00 1.33 H new ATOM 0 HB2 GLU A 20 14.653 3.317 -3.347 1.00 42.10 H new ATOM 0 HB3 GLU A 20 13.364 2.371 -4.065 1.00 42.10 H new ATOM 0 HG2 GLU A 20 14.028 5.256 -4.804 1.00 11.31 H new ATOM 0 HG3 GLU A 20 14.559 3.845 -5.698 1.00 11.31 H new ATOM 328 N LEU A 21 10.954 2.191 -2.973 1.00 53.41 N ATOM 329 CA LEU A 21 9.671 1.575 -3.359 1.00 22.51 C ATOM 330 C LEU A 21 8.541 2.123 -2.482 1.00 22.24 C ATOM 331 O LEU A 21 7.523 2.631 -2.970 1.00 64.14 O ATOM 332 CB LEU A 21 9.708 0.013 -3.213 1.00 72.13 C ATOM 333 CG LEU A 21 10.702 -0.789 -4.126 1.00 31.32 C ATOM 334 CD1 LEU A 21 12.186 -0.536 -3.760 1.00 64.22 C ATOM 335 CD2 LEU A 21 10.372 -2.301 -4.074 1.00 3.11 C ATOM 0 H LEU A 21 11.640 1.512 -2.644 1.00 53.41 H new ATOM 0 HA LEU A 21 9.495 1.823 -4.406 1.00 22.51 H new ATOM 0 HB2 LEU A 21 9.946 -0.220 -2.175 1.00 72.13 H new ATOM 0 HB3 LEU A 21 8.703 -0.364 -3.402 1.00 72.13 H new ATOM 0 HG LEU A 21 10.568 -0.427 -5.145 1.00 31.32 H new ATOM 0 HD11 LEU A 21 12.828 -1.116 -4.423 1.00 64.22 H new ATOM 0 HD12 LEU A 21 12.412 0.524 -3.871 1.00 64.22 H new ATOM 0 HD13 LEU A 21 12.363 -0.839 -2.728 1.00 64.22 H new ATOM 0 HD21 LEU A 21 11.068 -2.847 -4.711 1.00 3.11 H new ATOM 0 HD22 LEU A 21 10.462 -2.658 -3.048 1.00 3.11 H new ATOM 0 HD23 LEU A 21 9.353 -2.463 -4.426 1.00 3.11 H new ATOM 347 N LEU A 22 8.782 2.037 -1.173 1.00 64.22 N ATOM 348 CA LEU A 22 7.805 2.358 -0.139 1.00 32.32 C ATOM 349 C LEU A 22 7.511 3.869 -0.109 1.00 73.11 C ATOM 350 O LEU A 22 6.369 4.260 0.081 1.00 44.51 O ATOM 351 CB LEU A 22 8.319 1.846 1.236 1.00 74.23 C ATOM 352 CG LEU A 22 8.610 0.304 1.319 1.00 34.33 C ATOM 353 CD1 LEU A 22 9.143 -0.089 2.723 1.00 51.34 C ATOM 354 CD2 LEU A 22 7.364 -0.531 0.926 1.00 20.25 C ATOM 0 H LEU A 22 9.681 1.736 -0.797 1.00 64.22 H new ATOM 0 HA LEU A 22 6.864 1.856 -0.365 1.00 32.32 H new ATOM 0 HB2 LEU A 22 9.233 2.384 1.486 1.00 74.23 H new ATOM 0 HB3 LEU A 22 7.582 2.100 1.997 1.00 74.23 H new ATOM 0 HG LEU A 22 9.392 0.074 0.595 1.00 34.33 H new ATOM 0 HD11 LEU A 22 9.336 -1.161 2.752 1.00 51.34 H new ATOM 0 HD12 LEU A 22 10.068 0.452 2.926 1.00 51.34 H new ATOM 0 HD13 LEU A 22 8.400 0.167 3.479 1.00 51.34 H new ATOM 0 HD21 LEU A 22 7.601 -1.593 0.995 1.00 20.25 H new ATOM 0 HD22 LEU A 22 6.542 -0.298 1.603 1.00 20.25 H new ATOM 0 HD23 LEU A 22 7.072 -0.290 -0.096 1.00 20.25 H new ATOM 366 N GLU A 23 8.544 4.703 -0.354 1.00 74.32 N ATOM 367 CA GLU A 23 8.425 6.183 -0.376 1.00 14.34 C ATOM 368 C GLU A 23 7.418 6.632 -1.447 1.00 12.22 C ATOM 369 O GLU A 23 6.636 7.559 -1.216 1.00 41.23 O ATOM 370 CB GLU A 23 9.831 6.828 -0.587 1.00 34.30 C ATOM 371 CG GLU A 23 9.893 8.383 -0.648 1.00 64.03 C ATOM 372 CD GLU A 23 9.641 9.001 -2.044 1.00 73.40 C ATOM 373 OE1 GLU A 23 9.192 10.158 -2.115 1.00 71.44 O ATOM 374 OE2 GLU A 23 9.899 8.337 -3.072 1.00 4.14 O ATOM 0 H GLU A 23 9.490 4.371 -0.543 1.00 74.32 H new ATOM 0 HA GLU A 23 8.042 6.526 0.585 1.00 14.34 H new ATOM 0 HB2 GLU A 23 10.482 6.494 0.221 1.00 34.30 H new ATOM 0 HB3 GLU A 23 10.248 6.436 -1.514 1.00 34.30 H new ATOM 0 HG2 GLU A 23 9.158 8.787 0.048 1.00 64.03 H new ATOM 0 HG3 GLU A 23 10.874 8.705 -0.298 1.00 64.03 H new ATOM 381 N ARG A 24 7.424 5.936 -2.598 1.00 11.44 N ATOM 382 CA ARG A 24 6.480 6.190 -3.708 1.00 11.04 C ATOM 383 C ARG A 24 5.024 5.873 -3.293 1.00 0.14 C ATOM 384 O ARG A 24 4.082 6.556 -3.725 1.00 51.44 O ATOM 385 CB ARG A 24 6.879 5.352 -4.953 1.00 5.31 C ATOM 386 CG ARG A 24 8.257 5.710 -5.548 1.00 53.34 C ATOM 387 CD ARG A 24 8.347 7.180 -6.006 1.00 44.31 C ATOM 388 NE ARG A 24 9.637 7.482 -6.646 1.00 32.13 N ATOM 389 CZ ARG A 24 9.895 8.559 -7.405 1.00 65.21 C ATOM 390 NH1 ARG A 24 8.963 9.479 -7.639 1.00 21.43 N ATOM 391 NH2 ARG A 24 11.095 8.714 -7.923 1.00 33.45 N ATOM 0 H ARG A 24 8.083 5.181 -2.788 1.00 11.44 H new ATOM 0 HA ARG A 24 6.533 7.249 -3.959 1.00 11.04 H new ATOM 0 HB2 ARG A 24 6.878 4.296 -4.681 1.00 5.31 H new ATOM 0 HB3 ARG A 24 6.119 5.484 -5.723 1.00 5.31 H new ATOM 0 HG2 ARG A 24 9.030 5.518 -4.804 1.00 53.34 H new ATOM 0 HG3 ARG A 24 8.462 5.057 -6.396 1.00 53.34 H new ATOM 0 HD2 ARG A 24 7.538 7.392 -6.705 1.00 44.31 H new ATOM 0 HD3 ARG A 24 8.206 7.836 -5.147 1.00 44.31 H new ATOM 0 HE ARG A 24 10.398 6.818 -6.501 1.00 32.13 H new ATOM 0 HH11 ARG A 24 8.031 9.374 -7.239 1.00 21.43 H new ATOM 0 HH12 ARG A 24 9.181 10.290 -8.219 1.00 21.43 H new ATOM 0 HH21 ARG A 24 11.820 8.019 -7.747 1.00 33.45 H new ATOM 0 HH22 ARG A 24 11.300 9.529 -8.501 1.00 33.45 H new ATOM 405 N LEU A 25 4.861 4.839 -2.437 1.00 51.51 N ATOM 406 CA LEU A 25 3.544 4.451 -1.886 1.00 23.05 C ATOM 407 C LEU A 25 3.156 5.435 -0.773 1.00 53.03 C ATOM 408 O LEU A 25 1.984 5.788 -0.615 1.00 21.11 O ATOM 409 CB LEU A 25 3.568 2.982 -1.344 1.00 5.51 C ATOM 410 CG LEU A 25 3.353 1.838 -2.396 1.00 52.22 C ATOM 411 CD1 LEU A 25 1.959 1.948 -3.061 1.00 24.41 C ATOM 412 CD2 LEU A 25 4.484 1.784 -3.457 1.00 74.02 C ATOM 0 H LEU A 25 5.631 4.255 -2.111 1.00 51.51 H new ATOM 0 HA LEU A 25 2.800 4.491 -2.682 1.00 23.05 H new ATOM 0 HB2 LEU A 25 4.527 2.816 -0.853 1.00 5.51 H new ATOM 0 HB3 LEU A 25 2.798 2.889 -0.579 1.00 5.51 H new ATOM 0 HG LEU A 25 3.395 0.895 -1.851 1.00 52.22 H new ATOM 0 HD11 LEU A 25 1.837 1.143 -3.786 1.00 24.41 H new ATOM 0 HD12 LEU A 25 1.185 1.870 -2.298 1.00 24.41 H new ATOM 0 HD13 LEU A 25 1.873 2.909 -3.568 1.00 24.41 H new ATOM 0 HD21 LEU A 25 4.285 0.975 -4.160 1.00 74.02 H new ATOM 0 HD22 LEU A 25 4.523 2.731 -3.996 1.00 74.02 H new ATOM 0 HD23 LEU A 25 5.439 1.608 -2.962 1.00 74.02 H new ATOM 424 N ARG A 26 4.188 5.898 -0.050 1.00 41.32 N ATOM 425 CA ARG A 26 4.068 6.757 1.135 1.00 34.23 C ATOM 426 C ARG A 26 3.457 8.098 0.739 1.00 65.20 C ATOM 427 O ARG A 26 2.613 8.623 1.465 1.00 73.33 O ATOM 428 CB ARG A 26 5.467 6.990 1.768 1.00 12.44 C ATOM 429 CG ARG A 26 5.468 7.541 3.215 1.00 52.22 C ATOM 430 CD ARG A 26 6.732 8.347 3.541 1.00 64.32 C ATOM 431 NE ARG A 26 6.641 9.691 2.962 1.00 54.21 N ATOM 432 CZ ARG A 26 7.639 10.548 2.789 1.00 53.22 C ATOM 433 NH1 ARG A 26 8.896 10.247 3.123 1.00 72.13 N ATOM 434 NH2 ARG A 26 7.346 11.746 2.319 1.00 21.40 N ATOM 0 H ARG A 26 5.157 5.678 -0.282 1.00 41.32 H new ATOM 0 HA ARG A 26 3.424 6.266 1.864 1.00 34.23 H new ATOM 0 HB2 ARG A 26 6.011 6.046 1.758 1.00 12.44 H new ATOM 0 HB3 ARG A 26 6.021 7.683 1.135 1.00 12.44 H new ATOM 0 HG2 ARG A 26 4.592 8.173 3.359 1.00 52.22 H new ATOM 0 HG3 ARG A 26 5.381 6.711 3.916 1.00 52.22 H new ATOM 0 HD2 ARG A 26 6.859 8.417 4.621 1.00 64.32 H new ATOM 0 HD3 ARG A 26 7.610 7.834 3.150 1.00 64.32 H new ATOM 0 HE ARG A 26 5.716 9.999 2.662 1.00 54.21 H new ATOM 0 HH11 ARG A 26 9.112 9.335 3.525 1.00 72.13 H new ATOM 0 HH12 ARG A 26 9.640 10.929 2.977 1.00 72.13 H new ATOM 0 HH21 ARG A 26 6.379 11.986 2.102 1.00 21.40 H new ATOM 0 HH22 ARG A 26 8.087 12.432 2.173 1.00 21.40 H new ATOM 448 N GLN A 27 3.902 8.622 -0.435 1.00 21.32 N ATOM 449 CA GLN A 27 3.375 9.869 -1.021 1.00 12.10 C ATOM 450 C GLN A 27 1.847 9.781 -1.136 1.00 60.42 C ATOM 451 O GLN A 27 1.124 10.614 -0.594 1.00 54.34 O ATOM 452 CB GLN A 27 3.976 10.141 -2.440 1.00 54.54 C ATOM 453 CG GLN A 27 5.514 10.193 -2.532 1.00 3.01 C ATOM 454 CD GLN A 27 6.168 11.141 -1.525 1.00 51.33 C ATOM 455 OE1 GLN A 27 6.349 12.328 -1.792 1.00 65.34 O ATOM 456 NE2 GLN A 27 6.579 10.609 -0.385 1.00 4.04 N ATOM 0 H GLN A 27 4.635 8.187 -0.995 1.00 21.32 H new ATOM 0 HA GLN A 27 3.661 10.690 -0.363 1.00 12.10 H new ATOM 0 HB2 GLN A 27 3.619 9.365 -3.117 1.00 54.54 H new ATOM 0 HB3 GLN A 27 3.579 11.089 -2.804 1.00 54.54 H new ATOM 0 HG2 GLN A 27 5.911 9.189 -2.380 1.00 3.01 H new ATOM 0 HG3 GLN A 27 5.797 10.499 -3.539 1.00 3.01 H new ATOM 0 HE21 GLN A 27 6.413 9.621 -0.194 1.00 4.04 H new ATOM 0 HE22 GLN A 27 7.062 11.187 0.303 1.00 4.04 H new ATOM 465 N LEU A 28 1.397 8.694 -1.796 1.00 40.23 N ATOM 466 CA LEU A 28 -0.018 8.423 -2.088 1.00 40.03 C ATOM 467 C LEU A 28 -0.852 8.311 -0.795 1.00 61.24 C ATOM 468 O LEU A 28 -1.967 8.834 -0.723 1.00 11.04 O ATOM 469 CB LEU A 28 -0.124 7.120 -2.926 1.00 12.43 C ATOM 470 CG LEU A 28 -1.561 6.671 -3.348 1.00 53.00 C ATOM 471 CD1 LEU A 28 -2.280 7.762 -4.181 1.00 25.02 C ATOM 472 CD2 LEU A 28 -1.515 5.320 -4.103 1.00 55.31 C ATOM 0 H LEU A 28 2.023 7.968 -2.146 1.00 40.23 H new ATOM 0 HA LEU A 28 -0.424 9.258 -2.659 1.00 40.03 H new ATOM 0 HB2 LEU A 28 0.472 7.247 -3.830 1.00 12.43 H new ATOM 0 HB3 LEU A 28 0.332 6.311 -2.355 1.00 12.43 H new ATOM 0 HG LEU A 28 -2.145 6.528 -2.439 1.00 53.00 H new ATOM 0 HD11 LEU A 28 -3.276 7.413 -4.455 1.00 25.02 H new ATOM 0 HD12 LEU A 28 -2.365 8.674 -3.590 1.00 25.02 H new ATOM 0 HD13 LEU A 28 -1.706 7.968 -5.084 1.00 25.02 H new ATOM 0 HD21 LEU A 28 -2.526 5.027 -4.387 1.00 55.31 H new ATOM 0 HD22 LEU A 28 -0.902 5.424 -4.999 1.00 55.31 H new ATOM 0 HD23 LEU A 28 -1.084 4.556 -3.456 1.00 55.31 H new ATOM 484 N PHE A 29 -0.285 7.644 0.227 1.00 74.33 N ATOM 485 CA PHE A 29 -0.963 7.455 1.525 1.00 50.22 C ATOM 486 C PHE A 29 -1.137 8.797 2.265 1.00 12.15 C ATOM 487 O PHE A 29 -2.180 9.035 2.875 1.00 12.05 O ATOM 488 CB PHE A 29 -0.195 6.447 2.413 1.00 34.35 C ATOM 489 CG PHE A 29 -0.127 5.031 1.846 1.00 21.34 C ATOM 490 CD1 PHE A 29 -1.237 4.452 1.222 1.00 5.41 C ATOM 491 CD2 PHE A 29 1.044 4.280 1.925 1.00 20.15 C ATOM 492 CE1 PHE A 29 -1.168 3.180 0.692 1.00 24.24 C ATOM 493 CE2 PHE A 29 1.106 3.008 1.389 1.00 11.30 C ATOM 494 CZ PHE A 29 0.002 2.458 0.776 1.00 31.30 C ATOM 0 H PHE A 29 0.644 7.225 0.180 1.00 74.33 H new ATOM 0 HA PHE A 29 -1.953 7.048 1.320 1.00 50.22 H new ATOM 0 HB2 PHE A 29 0.820 6.814 2.564 1.00 34.35 H new ATOM 0 HB3 PHE A 29 -0.669 6.410 3.394 1.00 34.35 H new ATOM 0 HD1 PHE A 29 -2.160 5.008 1.154 1.00 5.41 H new ATOM 0 HD2 PHE A 29 1.914 4.697 2.411 1.00 20.15 H new ATOM 0 HE1 PHE A 29 -2.033 2.749 0.210 1.00 24.24 H new ATOM 0 HE2 PHE A 29 2.024 2.443 1.451 1.00 11.30 H new ATOM 0 HZ PHE A 29 0.054 1.462 0.362 1.00 31.30 H new ATOM 504 N GLU A 30 -0.099 9.658 2.185 1.00 74.30 N ATOM 505 CA GLU A 30 -0.106 11.020 2.771 1.00 5.05 C ATOM 506 C GLU A 30 -1.138 11.915 2.062 1.00 15.21 C ATOM 507 O GLU A 30 -1.782 12.762 2.702 1.00 22.41 O ATOM 508 CB GLU A 30 1.303 11.664 2.669 1.00 21.03 C ATOM 509 CG GLU A 30 2.404 10.984 3.502 1.00 24.42 C ATOM 510 CD GLU A 30 3.810 11.535 3.196 1.00 35.25 C ATOM 511 OE1 GLU A 30 4.282 11.375 2.050 1.00 42.25 O ATOM 512 OE2 GLU A 30 4.459 12.106 4.093 1.00 61.35 O ATOM 0 H GLU A 30 0.773 9.428 1.709 1.00 74.30 H new ATOM 0 HA GLU A 30 -0.382 10.931 3.822 1.00 5.05 H new ATOM 0 HB2 GLU A 30 1.609 11.662 1.623 1.00 21.03 H new ATOM 0 HB3 GLU A 30 1.230 12.707 2.978 1.00 21.03 H new ATOM 0 HG2 GLU A 30 2.188 11.120 4.562 1.00 24.42 H new ATOM 0 HG3 GLU A 30 2.389 9.911 3.309 1.00 24.42 H new ATOM 519 N GLU A 31 -1.275 11.712 0.737 1.00 64.15 N ATOM 520 CA GLU A 31 -2.223 12.464 -0.105 1.00 42.42 C ATOM 521 C GLU A 31 -3.666 12.150 0.295 1.00 63.44 C ATOM 522 O GLU A 31 -4.433 13.049 0.612 1.00 60.50 O ATOM 523 CB GLU A 31 -2.007 12.147 -1.614 1.00 73.24 C ATOM 524 CG GLU A 31 -0.660 12.625 -2.181 1.00 33.31 C ATOM 525 CD GLU A 31 -0.456 14.149 -2.094 1.00 63.04 C ATOM 526 OE1 GLU A 31 0.093 14.638 -1.076 1.00 62.14 O ATOM 527 OE2 GLU A 31 -0.830 14.865 -3.047 1.00 5.22 O ATOM 0 H GLU A 31 -0.730 11.021 0.221 1.00 64.15 H new ATOM 0 HA GLU A 31 -2.036 13.526 0.053 1.00 42.42 H new ATOM 0 HB2 GLU A 31 -2.087 11.070 -1.761 1.00 73.24 H new ATOM 0 HB3 GLU A 31 -2.812 12.607 -2.187 1.00 73.24 H new ATOM 0 HG2 GLU A 31 0.147 12.128 -1.643 1.00 33.31 H new ATOM 0 HG3 GLU A 31 -0.585 12.316 -3.224 1.00 33.31 H new ATOM 534 N LEU A 32 -4.004 10.854 0.302 1.00 34.41 N ATOM 535 CA LEU A 32 -5.371 10.369 0.579 1.00 22.24 C ATOM 536 C LEU A 32 -5.753 10.580 2.063 1.00 21.01 C ATOM 537 O LEU A 32 -6.936 10.730 2.399 1.00 44.33 O ATOM 538 CB LEU A 32 -5.474 8.878 0.164 1.00 22.23 C ATOM 539 CG LEU A 32 -5.138 8.565 -1.337 1.00 23.32 C ATOM 540 CD1 LEU A 32 -5.222 7.051 -1.640 1.00 11.24 C ATOM 541 CD2 LEU A 32 -6.038 9.377 -2.296 1.00 75.33 C ATOM 0 H LEU A 32 -3.337 10.105 0.115 1.00 34.41 H new ATOM 0 HA LEU A 32 -6.084 10.947 -0.008 1.00 22.24 H new ATOM 0 HB2 LEU A 32 -4.803 8.297 0.796 1.00 22.23 H new ATOM 0 HB3 LEU A 32 -6.487 8.531 0.370 1.00 22.23 H new ATOM 0 HG LEU A 32 -4.106 8.873 -1.507 1.00 23.32 H new ATOM 0 HD11 LEU A 32 -4.983 6.876 -2.689 1.00 11.24 H new ATOM 0 HD12 LEU A 32 -4.512 6.514 -1.011 1.00 11.24 H new ATOM 0 HD13 LEU A 32 -6.231 6.694 -1.434 1.00 11.24 H new ATOM 0 HD21 LEU A 32 -5.780 9.137 -3.328 1.00 75.33 H new ATOM 0 HD22 LEU A 32 -7.083 9.125 -2.115 1.00 75.33 H new ATOM 0 HD23 LEU A 32 -5.887 10.442 -2.122 1.00 75.33 H new ATOM 553 N HIS A 33 -4.713 10.637 2.926 1.00 74.22 N ATOM 554 CA HIS A 33 -4.827 10.922 4.377 1.00 22.23 C ATOM 555 C HIS A 33 -5.553 12.264 4.661 1.00 32.34 C ATOM 556 O HIS A 33 -6.145 12.422 5.738 1.00 44.21 O ATOM 557 CB HIS A 33 -3.399 10.912 5.012 1.00 12.44 C ATOM 558 CG HIS A 33 -3.310 11.380 6.440 1.00 25.14 C ATOM 559 ND1 HIS A 33 -2.351 12.271 6.869 1.00 70.42 N ATOM 560 CD2 HIS A 33 -4.060 11.094 7.537 1.00 61.44 C ATOM 561 CE1 HIS A 33 -2.516 12.505 8.150 1.00 4.54 C ATOM 562 NE2 HIS A 33 -3.544 11.810 8.580 1.00 44.24 N ATOM 0 H HIS A 33 -3.750 10.483 2.628 1.00 74.22 H new ATOM 0 HA HIS A 33 -5.439 10.143 4.832 1.00 22.23 H new ATOM 0 HB2 HIS A 33 -3.006 9.897 4.958 1.00 12.44 H new ATOM 0 HB3 HIS A 33 -2.748 11.539 4.403 1.00 12.44 H new ATOM 0 HD2 HIS A 33 -4.907 10.425 7.577 1.00 61.44 H new ATOM 0 HE1 HIS A 33 -1.906 13.162 8.752 1.00 4.54 H new ATOM 0 HE2 HIS A 33 -3.899 11.805 9.536 1.00 44.24 H new ATOM 571 N GLU A 34 -5.525 13.203 3.687 1.00 44.13 N ATOM 572 CA GLU A 34 -6.212 14.516 3.802 1.00 54.22 C ATOM 573 C GLU A 34 -7.698 14.348 4.220 1.00 64.52 C ATOM 574 O GLU A 34 -8.217 15.145 5.005 1.00 24.00 O ATOM 575 CB GLU A 34 -6.114 15.324 2.473 1.00 71.30 C ATOM 576 CG GLU A 34 -6.900 14.719 1.290 1.00 41.24 C ATOM 577 CD GLU A 34 -6.826 15.538 -0.008 1.00 22.33 C ATOM 578 OE1 GLU A 34 -7.694 16.413 -0.223 1.00 3.35 O ATOM 579 OE2 GLU A 34 -5.917 15.303 -0.828 1.00 71.44 O ATOM 0 H GLU A 34 -5.030 13.076 2.804 1.00 44.13 H new ATOM 0 HA GLU A 34 -5.701 15.076 4.585 1.00 54.22 H new ATOM 0 HB2 GLU A 34 -6.476 16.336 2.652 1.00 71.30 H new ATOM 0 HB3 GLU A 34 -5.065 15.406 2.190 1.00 71.30 H new ATOM 0 HG2 GLU A 34 -6.522 13.716 1.094 1.00 41.24 H new ATOM 0 HG3 GLU A 34 -7.946 14.615 1.580 1.00 41.24 H new ATOM 586 N ARG A 35 -8.361 13.279 3.710 1.00 14.42 N ATOM 587 CA ARG A 35 -9.741 12.927 4.110 1.00 51.02 C ATOM 588 C ARG A 35 -9.758 11.576 4.836 1.00 20.24 C ATOM 589 O ARG A 35 -10.698 11.275 5.578 1.00 35.33 O ATOM 590 CB ARG A 35 -10.723 12.902 2.893 1.00 62.23 C ATOM 591 CG ARG A 35 -10.530 11.771 1.833 1.00 33.35 C ATOM 592 CD ARG A 35 -9.411 12.058 0.809 1.00 22.50 C ATOM 593 NE ARG A 35 -9.616 13.355 0.129 1.00 23.14 N ATOM 594 CZ ARG A 35 -9.881 13.542 -1.171 1.00 73.33 C ATOM 595 NH1 ARG A 35 -9.986 12.519 -2.002 1.00 51.03 N ATOM 596 NH2 ARG A 35 -10.002 14.776 -1.635 1.00 65.44 N ATOM 0 H ARG A 35 -7.958 12.646 3.019 1.00 14.42 H new ATOM 0 HA ARG A 35 -10.088 13.705 4.790 1.00 51.02 H new ATOM 0 HB2 ARG A 35 -11.739 12.829 3.282 1.00 62.23 H new ATOM 0 HB3 ARG A 35 -10.647 13.861 2.380 1.00 62.23 H new ATOM 0 HG2 ARG A 35 -10.306 10.837 2.349 1.00 33.35 H new ATOM 0 HG3 ARG A 35 -11.469 11.623 1.299 1.00 33.35 H new ATOM 0 HD2 ARG A 35 -8.446 12.060 1.315 1.00 22.50 H new ATOM 0 HD3 ARG A 35 -9.381 11.259 0.068 1.00 22.50 H new ATOM 0 HE ARG A 35 -9.549 14.192 0.708 1.00 23.14 H new ATOM 0 HH11 ARG A 35 -9.865 11.567 -1.657 1.00 51.03 H new ATOM 0 HH12 ARG A 35 -10.188 12.682 -2.988 1.00 51.03 H new ATOM 0 HH21 ARG A 35 -9.894 15.571 -1.005 1.00 65.44 H new ATOM 0 HH22 ARG A 35 -10.204 14.932 -2.623 1.00 65.44 H new ATOM 610 N GLY A 36 -8.697 10.779 4.619 1.00 10.15 N ATOM 611 CA GLY A 36 -8.617 9.417 5.132 1.00 53.40 C ATOM 612 C GLY A 36 -9.632 8.490 4.471 1.00 3.22 C ATOM 613 O GLY A 36 -10.466 7.878 5.158 1.00 12.41 O ATOM 0 H GLY A 36 -7.878 11.068 4.084 1.00 10.15 H new ATOM 0 HA2 GLY A 36 -7.612 9.028 4.968 1.00 53.40 H new ATOM 0 HA3 GLY A 36 -8.784 9.426 6.209 1.00 53.40 H new ATOM 617 N THR A 37 -9.577 8.425 3.124 1.00 3.11 N ATOM 618 CA THR A 37 -10.444 7.537 2.322 1.00 21.32 C ATOM 619 C THR A 37 -10.048 6.063 2.531 1.00 31.42 C ATOM 620 O THR A 37 -8.925 5.773 2.960 1.00 4.41 O ATOM 621 CB THR A 37 -10.372 7.895 0.796 1.00 32.32 C ATOM 622 OG1 THR A 37 -11.386 7.180 0.065 1.00 23.12 O ATOM 623 CG2 THR A 37 -8.988 7.588 0.180 1.00 31.14 C ATOM 0 H THR A 37 -8.933 8.984 2.564 1.00 3.11 H new ATOM 0 HA THR A 37 -11.469 7.684 2.661 1.00 21.32 H new ATOM 0 HB THR A 37 -10.541 8.969 0.719 1.00 32.32 H new ATOM 0 HG1 THR A 37 -11.331 7.414 -0.885 1.00 23.12 H new ATOM 0 HG21 THR A 37 -8.993 7.854 -0.877 1.00 31.14 H new ATOM 0 HG22 THR A 37 -8.223 8.168 0.697 1.00 31.14 H new ATOM 0 HG23 THR A 37 -8.771 6.525 0.285 1.00 31.14 H new ATOM 631 N GLU A 38 -10.973 5.144 2.216 1.00 41.32 N ATOM 632 CA GLU A 38 -10.739 3.698 2.344 1.00 13.14 C ATOM 633 C GLU A 38 -9.713 3.214 1.286 1.00 0.30 C ATOM 634 O GLU A 38 -10.023 3.057 0.100 1.00 63.24 O ATOM 635 CB GLU A 38 -12.084 2.915 2.274 1.00 65.31 C ATOM 636 CG GLU A 38 -12.949 3.192 1.025 1.00 30.02 C ATOM 637 CD GLU A 38 -14.296 2.457 1.055 1.00 2.10 C ATOM 638 OE1 GLU A 38 -14.316 1.220 0.894 1.00 13.33 O ATOM 639 OE2 GLU A 38 -15.348 3.113 1.241 1.00 20.41 O ATOM 0 H GLU A 38 -11.901 5.381 1.866 1.00 41.32 H new ATOM 0 HA GLU A 38 -10.305 3.495 3.323 1.00 13.14 H new ATOM 0 HB2 GLU A 38 -11.866 1.848 2.314 1.00 65.31 H new ATOM 0 HB3 GLU A 38 -12.670 3.154 3.161 1.00 65.31 H new ATOM 0 HG2 GLU A 38 -13.128 4.264 0.944 1.00 30.02 H new ATOM 0 HG3 GLU A 38 -12.397 2.893 0.134 1.00 30.02 H new ATOM 646 N ILE A 39 -8.466 3.039 1.743 1.00 14.45 N ATOM 647 CA ILE A 39 -7.350 2.561 0.927 1.00 42.14 C ATOM 648 C ILE A 39 -7.200 1.037 1.105 1.00 12.42 C ATOM 649 O ILE A 39 -6.836 0.550 2.183 1.00 42.32 O ATOM 650 CB ILE A 39 -6.010 3.282 1.331 1.00 60.13 C ATOM 651 CG1 ILE A 39 -6.190 4.836 1.350 1.00 25.41 C ATOM 652 CG2 ILE A 39 -4.861 2.875 0.378 1.00 23.31 C ATOM 653 CD1 ILE A 39 -4.977 5.616 1.827 1.00 15.23 C ATOM 0 H ILE A 39 -8.203 3.230 2.710 1.00 14.45 H new ATOM 0 HA ILE A 39 -7.558 2.790 -0.118 1.00 42.14 H new ATOM 0 HB ILE A 39 -5.748 2.963 2.340 1.00 60.13 H new ATOM 0 HG12 ILE A 39 -6.445 5.170 0.344 1.00 25.41 H new ATOM 0 HG13 ILE A 39 -7.036 5.081 1.992 1.00 25.41 H new ATOM 0 HG21 ILE A 39 -3.944 3.384 0.675 1.00 23.31 H new ATOM 0 HG22 ILE A 39 -4.710 1.797 0.430 1.00 23.31 H new ATOM 0 HG23 ILE A 39 -5.118 3.157 -0.643 1.00 23.31 H new ATOM 0 HD11 ILE A 39 -5.199 6.683 1.805 1.00 15.23 H new ATOM 0 HD12 ILE A 39 -4.730 5.318 2.846 1.00 15.23 H new ATOM 0 HD13 ILE A 39 -4.130 5.408 1.173 1.00 15.23 H new ATOM 665 N VAL A 40 -7.531 0.298 0.044 1.00 12.42 N ATOM 666 CA VAL A 40 -7.332 -1.151 -0.036 1.00 23.33 C ATOM 667 C VAL A 40 -5.993 -1.409 -0.754 1.00 61.15 C ATOM 668 O VAL A 40 -5.896 -1.259 -1.971 1.00 54.23 O ATOM 669 CB VAL A 40 -8.526 -1.847 -0.807 1.00 52.41 C ATOM 670 CG1 VAL A 40 -8.318 -3.378 -0.939 1.00 63.41 C ATOM 671 CG2 VAL A 40 -9.887 -1.519 -0.133 1.00 13.44 C ATOM 0 H VAL A 40 -7.951 0.695 -0.796 1.00 12.42 H new ATOM 0 HA VAL A 40 -7.308 -1.577 0.967 1.00 23.33 H new ATOM 0 HB VAL A 40 -8.541 -1.440 -1.818 1.00 52.41 H new ATOM 0 HG11 VAL A 40 -9.161 -3.815 -1.474 1.00 63.41 H new ATOM 0 HG12 VAL A 40 -7.398 -3.574 -1.489 1.00 63.41 H new ATOM 0 HG13 VAL A 40 -8.249 -3.823 0.054 1.00 63.41 H new ATOM 0 HG21 VAL A 40 -10.692 -2.009 -0.681 1.00 13.44 H new ATOM 0 HG22 VAL A 40 -9.879 -1.877 0.896 1.00 13.44 H new ATOM 0 HG23 VAL A 40 -10.046 -0.441 -0.141 1.00 13.44 H new ATOM 681 N VAL A 41 -4.964 -1.771 0.020 1.00 11.11 N ATOM 682 CA VAL A 41 -3.627 -2.079 -0.508 1.00 11.04 C ATOM 683 C VAL A 41 -3.563 -3.593 -0.727 1.00 52.12 C ATOM 684 O VAL A 41 -3.633 -4.359 0.229 1.00 44.54 O ATOM 685 CB VAL A 41 -2.499 -1.605 0.487 1.00 13.12 C ATOM 686 CG1 VAL A 41 -1.076 -1.866 -0.076 1.00 73.43 C ATOM 687 CG2 VAL A 41 -2.692 -0.115 0.848 1.00 1.04 C ATOM 0 H VAL A 41 -5.034 -1.859 1.034 1.00 11.11 H new ATOM 0 HA VAL A 41 -3.458 -1.549 -1.445 1.00 11.04 H new ATOM 0 HB VAL A 41 -2.591 -2.198 1.397 1.00 13.12 H new ATOM 0 HG11 VAL A 41 -0.332 -1.524 0.643 1.00 73.43 H new ATOM 0 HG12 VAL A 41 -0.945 -2.933 -0.253 1.00 73.43 H new ATOM 0 HG13 VAL A 41 -0.951 -1.324 -1.014 1.00 73.43 H new ATOM 0 HG21 VAL A 41 -1.906 0.198 1.535 1.00 1.04 H new ATOM 0 HG22 VAL A 41 -2.642 0.488 -0.058 1.00 1.04 H new ATOM 0 HG23 VAL A 41 -3.664 0.022 1.322 1.00 1.04 H new ATOM 697 N GLU A 42 -3.489 -4.015 -1.992 1.00 61.33 N ATOM 698 CA GLU A 42 -3.579 -5.430 -2.368 1.00 33.15 C ATOM 699 C GLU A 42 -2.254 -5.889 -3.001 1.00 62.10 C ATOM 700 O GLU A 42 -1.918 -5.524 -4.132 1.00 73.25 O ATOM 701 CB GLU A 42 -4.782 -5.628 -3.317 1.00 14.24 C ATOM 702 CG GLU A 42 -5.064 -7.092 -3.697 1.00 15.14 C ATOM 703 CD GLU A 42 -6.372 -7.256 -4.478 1.00 33.53 C ATOM 704 OE1 GLU A 42 -7.365 -7.743 -3.906 1.00 40.24 O ATOM 705 OE2 GLU A 42 -6.419 -6.868 -5.666 1.00 34.12 O ATOM 0 H GLU A 42 -3.365 -3.386 -2.785 1.00 61.33 H new ATOM 0 HA GLU A 42 -3.744 -6.048 -1.485 1.00 33.15 H new ATOM 0 HB2 GLU A 42 -5.672 -5.211 -2.846 1.00 14.24 H new ATOM 0 HB3 GLU A 42 -4.607 -5.057 -4.229 1.00 14.24 H new ATOM 0 HG2 GLU A 42 -4.237 -7.474 -4.296 1.00 15.14 H new ATOM 0 HG3 GLU A 42 -5.108 -7.697 -2.791 1.00 15.14 H new ATOM 712 N VAL A 43 -1.522 -6.704 -2.239 1.00 55.00 N ATOM 713 CA VAL A 43 -0.180 -7.175 -2.571 1.00 73.12 C ATOM 714 C VAL A 43 -0.272 -8.520 -3.336 1.00 74.20 C ATOM 715 O VAL A 43 -0.605 -9.557 -2.755 1.00 42.12 O ATOM 716 CB VAL A 43 0.659 -7.329 -1.242 1.00 55.51 C ATOM 717 CG1 VAL A 43 2.101 -7.780 -1.531 1.00 51.15 C ATOM 718 CG2 VAL A 43 0.637 -6.016 -0.409 1.00 22.51 C ATOM 0 H VAL A 43 -1.859 -7.064 -1.346 1.00 55.00 H new ATOM 0 HA VAL A 43 0.321 -6.454 -3.217 1.00 73.12 H new ATOM 0 HB VAL A 43 0.187 -8.111 -0.647 1.00 55.51 H new ATOM 0 HG11 VAL A 43 2.647 -7.875 -0.593 1.00 51.15 H new ATOM 0 HG12 VAL A 43 2.086 -8.743 -2.041 1.00 51.15 H new ATOM 0 HG13 VAL A 43 2.593 -7.042 -2.164 1.00 51.15 H new ATOM 0 HG21 VAL A 43 1.223 -6.152 0.500 1.00 22.51 H new ATOM 0 HG22 VAL A 43 1.064 -5.204 -0.998 1.00 22.51 H new ATOM 0 HG23 VAL A 43 -0.391 -5.770 -0.145 1.00 22.51 H new ATOM 728 N HIS A 44 -0.027 -8.465 -4.656 1.00 12.53 N ATOM 729 CA HIS A 44 -0.017 -9.646 -5.546 1.00 42.02 C ATOM 730 C HIS A 44 1.415 -10.196 -5.655 1.00 33.15 C ATOM 731 O HIS A 44 2.235 -9.629 -6.382 1.00 54.23 O ATOM 732 CB HIS A 44 -0.543 -9.290 -6.972 1.00 5.02 C ATOM 733 CG HIS A 44 -1.943 -8.740 -7.027 1.00 74.13 C ATOM 734 ND1 HIS A 44 -2.382 -7.885 -8.020 1.00 12.34 N ATOM 735 CD2 HIS A 44 -3.014 -8.953 -6.226 1.00 1.43 C ATOM 736 CE1 HIS A 44 -3.651 -7.602 -7.824 1.00 23.41 C ATOM 737 NE2 HIS A 44 -4.053 -8.232 -6.745 1.00 75.54 N ATOM 0 H HIS A 44 0.172 -7.592 -5.144 1.00 12.53 H new ATOM 0 HA HIS A 44 -0.678 -10.399 -5.116 1.00 42.02 H new ATOM 0 HB2 HIS A 44 0.133 -8.561 -7.418 1.00 5.02 H new ATOM 0 HB3 HIS A 44 -0.499 -10.186 -7.591 1.00 5.02 H new ATOM 0 HD1 HIS A 44 -1.810 -7.529 -8.786 1.00 12.34 H new ATOM 0 HD2 HIS A 44 -3.042 -9.575 -5.344 1.00 1.43 H new ATOM 0 HE1 HIS A 44 -4.259 -6.961 -8.445 1.00 23.41 H new ATOM 746 N ILE A 45 1.725 -11.271 -4.904 1.00 55.10 N ATOM 747 CA ILE A 45 3.036 -11.951 -4.978 1.00 52.31 C ATOM 748 C ILE A 45 2.825 -13.464 -5.188 1.00 35.55 C ATOM 749 O ILE A 45 2.049 -14.085 -4.468 1.00 71.13 O ATOM 750 CB ILE A 45 3.943 -11.669 -3.714 1.00 51.31 C ATOM 751 CG1 ILE A 45 4.162 -10.131 -3.523 1.00 52.34 C ATOM 752 CG2 ILE A 45 5.303 -12.396 -3.823 1.00 0.42 C ATOM 753 CD1 ILE A 45 5.192 -9.748 -2.477 1.00 21.11 C ATOM 0 H ILE A 45 1.081 -11.691 -4.234 1.00 55.10 H new ATOM 0 HA ILE A 45 3.575 -11.540 -5.832 1.00 52.31 H new ATOM 0 HB ILE A 45 3.422 -12.059 -2.840 1.00 51.31 H new ATOM 0 HG12 ILE A 45 4.462 -9.702 -4.479 1.00 52.34 H new ATOM 0 HG13 ILE A 45 3.209 -9.676 -3.254 1.00 52.34 H new ATOM 0 HG21 ILE A 45 5.902 -12.181 -2.938 1.00 0.42 H new ATOM 0 HG22 ILE A 45 5.136 -13.471 -3.896 1.00 0.42 H new ATOM 0 HG23 ILE A 45 5.831 -12.049 -4.712 1.00 0.42 H new ATOM 0 HD11 ILE A 45 5.268 -8.662 -2.422 1.00 21.11 H new ATOM 0 HD12 ILE A 45 4.888 -10.140 -1.506 1.00 21.11 H new ATOM 0 HD13 ILE A 45 6.161 -10.167 -2.750 1.00 21.11 H new ATOM 765 N ASN A 46 3.519 -14.020 -6.216 1.00 12.30 N ATOM 766 CA ASN A 46 3.417 -15.448 -6.647 1.00 43.23 C ATOM 767 C ASN A 46 1.993 -15.795 -7.149 1.00 50.30 C ATOM 768 O ASN A 46 1.613 -16.969 -7.193 1.00 53.42 O ATOM 769 CB ASN A 46 3.855 -16.438 -5.525 1.00 70.12 C ATOM 770 CG ASN A 46 5.282 -16.204 -5.023 1.00 11.22 C ATOM 771 OD1 ASN A 46 6.252 -16.627 -5.647 1.00 73.11 O ATOM 772 ND2 ASN A 46 5.417 -15.561 -3.879 1.00 14.35 N ATOM 0 H ASN A 46 4.177 -13.483 -6.781 1.00 12.30 H new ATOM 0 HA ASN A 46 4.111 -15.565 -7.479 1.00 43.23 H new ATOM 0 HB2 ASN A 46 3.165 -16.351 -4.686 1.00 70.12 H new ATOM 0 HB3 ASN A 46 3.774 -17.458 -5.900 1.00 70.12 H new ATOM 0 HD21 ASN A 46 6.346 -15.403 -3.489 1.00 14.35 H new ATOM 0 HD22 ASN A 46 4.592 -15.222 -3.384 1.00 14.35 H new ATOM 779 N GLY A 47 1.231 -14.762 -7.556 1.00 3.43 N ATOM 780 CA GLY A 47 -0.166 -14.921 -7.973 1.00 34.13 C ATOM 781 C GLY A 47 -1.149 -14.726 -6.819 1.00 72.53 C ATOM 782 O GLY A 47 -2.335 -14.483 -7.052 1.00 62.44 O ATOM 0 H GLY A 47 1.569 -13.801 -7.603 1.00 3.43 H new ATOM 0 HA2 GLY A 47 -0.390 -14.203 -8.762 1.00 34.13 H new ATOM 0 HA3 GLY A 47 -0.304 -15.915 -8.399 1.00 34.13 H new ATOM 786 N GLU A 48 -0.633 -14.807 -5.578 1.00 11.40 N ATOM 787 CA GLU A 48 -1.428 -14.727 -4.344 1.00 41.05 C ATOM 788 C GLU A 48 -1.747 -13.258 -4.005 1.00 32.32 C ATOM 789 O GLU A 48 -0.917 -12.376 -4.229 1.00 74.34 O ATOM 790 CB GLU A 48 -0.630 -15.369 -3.177 1.00 52.14 C ATOM 791 CG GLU A 48 -0.141 -16.812 -3.443 1.00 52.13 C ATOM 792 CD GLU A 48 0.796 -17.343 -2.344 1.00 63.33 C ATOM 793 OE1 GLU A 48 2.040 -17.303 -2.517 1.00 40.31 O ATOM 794 OE2 GLU A 48 0.294 -17.787 -1.287 1.00 3.31 O ATOM 0 H GLU A 48 0.364 -14.932 -5.405 1.00 11.40 H new ATOM 0 HA GLU A 48 -2.365 -15.264 -4.490 1.00 41.05 H new ATOM 0 HB2 GLU A 48 0.234 -14.742 -2.958 1.00 52.14 H new ATOM 0 HB3 GLU A 48 -1.256 -15.371 -2.285 1.00 52.14 H new ATOM 0 HG2 GLU A 48 -1.004 -17.472 -3.527 1.00 52.13 H new ATOM 0 HG3 GLU A 48 0.378 -16.843 -4.401 1.00 52.13 H new ATOM 801 N ARG A 49 -2.942 -13.014 -3.451 1.00 1.14 N ATOM 802 CA ARG A 49 -3.414 -11.665 -3.096 1.00 44.43 C ATOM 803 C ARG A 49 -3.417 -11.494 -1.566 1.00 22.01 C ATOM 804 O ARG A 49 -3.809 -12.414 -0.826 1.00 2.05 O ATOM 805 CB ARG A 49 -4.832 -11.435 -3.696 1.00 73.30 C ATOM 806 CG ARG A 49 -5.949 -12.343 -3.116 1.00 30.31 C ATOM 807 CD ARG A 49 -7.220 -12.357 -3.985 1.00 73.12 C ATOM 808 NE ARG A 49 -6.977 -13.017 -5.282 1.00 71.33 N ATOM 809 CZ ARG A 49 -7.682 -12.836 -6.406 1.00 24.04 C ATOM 810 NH1 ARG A 49 -8.717 -12.002 -6.443 1.00 52.11 N ATOM 811 NH2 ARG A 49 -7.325 -13.492 -7.507 1.00 23.21 N ATOM 0 H ARG A 49 -3.614 -13.750 -3.234 1.00 1.14 H new ATOM 0 HA ARG A 49 -2.740 -10.917 -3.514 1.00 44.43 H new ATOM 0 HB2 ARG A 49 -5.112 -10.394 -3.536 1.00 73.30 H new ATOM 0 HB3 ARG A 49 -4.783 -11.590 -4.774 1.00 73.30 H new ATOM 0 HG2 ARG A 49 -5.570 -13.360 -3.019 1.00 30.31 H new ATOM 0 HG3 ARG A 49 -6.204 -12.001 -2.113 1.00 30.31 H new ATOM 0 HD2 ARG A 49 -8.019 -12.875 -3.455 1.00 73.12 H new ATOM 0 HD3 ARG A 49 -7.559 -11.335 -4.153 1.00 73.12 H new ATOM 0 HE ARG A 49 -6.198 -13.674 -5.327 1.00 71.33 H new ATOM 0 HH11 ARG A 49 -8.987 -11.486 -5.605 1.00 52.11 H new ATOM 0 HH12 ARG A 49 -9.241 -11.878 -7.309 1.00 52.11 H new ATOM 0 HH21 ARG A 49 -6.524 -14.123 -7.488 1.00 23.21 H new ATOM 0 HH22 ARG A 49 -7.853 -13.364 -8.371 1.00 23.21 H new ATOM 825 N ASP A 50 -2.947 -10.330 -1.096 1.00 50.31 N ATOM 826 CA ASP A 50 -3.038 -9.926 0.317 1.00 64.15 C ATOM 827 C ASP A 50 -3.767 -8.582 0.384 1.00 72.21 C ATOM 828 O ASP A 50 -3.242 -7.577 -0.071 1.00 31.02 O ATOM 829 CB ASP A 50 -1.636 -9.798 0.962 1.00 20.53 C ATOM 830 CG ASP A 50 -1.716 -9.388 2.448 1.00 33.33 C ATOM 831 OD1 ASP A 50 -1.371 -8.233 2.784 1.00 73.00 O ATOM 832 OD2 ASP A 50 -2.130 -10.222 3.283 1.00 65.31 O ATOM 0 H ASP A 50 -2.490 -9.637 -1.688 1.00 50.31 H new ATOM 0 HA ASP A 50 -3.584 -10.689 0.872 1.00 64.15 H new ATOM 0 HB2 ASP A 50 -1.110 -10.749 0.876 1.00 20.53 H new ATOM 0 HB3 ASP A 50 -1.051 -9.060 0.414 1.00 20.53 H new ATOM 837 N GLU A 51 -4.955 -8.578 0.974 1.00 44.03 N ATOM 838 CA GLU A 51 -5.815 -7.395 1.052 1.00 51.25 C ATOM 839 C GLU A 51 -5.622 -6.720 2.418 1.00 42.24 C ATOM 840 O GLU A 51 -5.720 -7.381 3.463 1.00 41.15 O ATOM 841 CB GLU A 51 -7.285 -7.814 0.858 1.00 24.50 C ATOM 842 CG GLU A 51 -8.276 -6.637 0.821 1.00 22.42 C ATOM 843 CD GLU A 51 -9.735 -7.094 0.853 1.00 44.43 C ATOM 844 OE1 GLU A 51 -10.262 -7.315 1.960 1.00 33.04 O ATOM 845 OE2 GLU A 51 -10.352 -7.254 -0.217 1.00 61.22 O ATOM 0 H GLU A 51 -5.357 -9.403 1.418 1.00 44.03 H new ATOM 0 HA GLU A 51 -5.548 -6.687 0.267 1.00 51.25 H new ATOM 0 HB2 GLU A 51 -7.371 -8.377 -0.072 1.00 24.50 H new ATOM 0 HB3 GLU A 51 -7.569 -8.488 1.666 1.00 24.50 H new ATOM 0 HG2 GLU A 51 -8.086 -5.981 1.670 1.00 22.42 H new ATOM 0 HG3 GLU A 51 -8.103 -6.050 -0.081 1.00 22.42 H new ATOM 852 N ILE A 52 -5.323 -5.415 2.399 1.00 42.31 N ATOM 853 CA ILE A 52 -5.123 -4.606 3.612 1.00 44.12 C ATOM 854 C ILE A 52 -6.128 -3.440 3.578 1.00 4.44 C ATOM 855 O ILE A 52 -6.014 -2.555 2.725 1.00 32.00 O ATOM 856 CB ILE A 52 -3.654 -4.026 3.699 1.00 53.55 C ATOM 857 CG1 ILE A 52 -2.589 -5.071 3.213 1.00 72.23 C ATOM 858 CG2 ILE A 52 -3.350 -3.564 5.153 1.00 71.52 C ATOM 859 CD1 ILE A 52 -1.223 -4.486 2.914 1.00 25.53 C ATOM 0 H ILE A 52 -5.212 -4.885 1.535 1.00 42.31 H new ATOM 0 HA ILE A 52 -5.278 -5.240 4.485 1.00 44.12 H new ATOM 0 HB ILE A 52 -3.590 -3.166 3.033 1.00 53.55 H new ATOM 0 HG12 ILE A 52 -2.481 -5.842 3.976 1.00 72.23 H new ATOM 0 HG13 ILE A 52 -2.964 -5.562 2.315 1.00 72.23 H new ATOM 0 HG21 ILE A 52 -2.337 -3.166 5.204 1.00 71.52 H new ATOM 0 HG22 ILE A 52 -4.059 -2.789 5.444 1.00 71.52 H new ATOM 0 HG23 ILE A 52 -3.441 -4.413 5.831 1.00 71.52 H new ATOM 0 HD11 ILE A 52 -0.552 -5.279 2.585 1.00 25.53 H new ATOM 0 HD12 ILE A 52 -1.312 -3.737 2.127 1.00 25.53 H new ATOM 0 HD13 ILE A 52 -0.821 -4.021 3.814 1.00 25.53 H new ATOM 871 N ARG A 53 -7.116 -3.450 4.480 1.00 74.51 N ATOM 872 CA ARG A 53 -8.173 -2.421 4.521 1.00 23.45 C ATOM 873 C ARG A 53 -7.870 -1.394 5.628 1.00 23.02 C ATOM 874 O ARG A 53 -7.993 -1.686 6.826 1.00 2.55 O ATOM 875 CB ARG A 53 -9.550 -3.088 4.736 1.00 55.42 C ATOM 876 CG ARG A 53 -9.994 -4.004 3.573 1.00 60.01 C ATOM 877 CD ARG A 53 -11.240 -4.827 3.923 1.00 15.44 C ATOM 878 NE ARG A 53 -10.965 -5.787 5.012 1.00 71.21 N ATOM 879 CZ ARG A 53 -11.662 -5.908 6.153 1.00 71.02 C ATOM 880 NH1 ARG A 53 -12.709 -5.133 6.400 1.00 70.11 N ATOM 881 NH2 ARG A 53 -11.294 -6.803 7.051 1.00 41.41 N ATOM 0 H ARG A 53 -7.210 -4.166 5.201 1.00 74.51 H new ATOM 0 HA ARG A 53 -8.198 -1.891 3.569 1.00 23.45 H new ATOM 0 HB2 ARG A 53 -9.519 -3.674 5.655 1.00 55.42 H new ATOM 0 HB3 ARG A 53 -10.300 -2.310 4.879 1.00 55.42 H new ATOM 0 HG2 ARG A 53 -10.199 -3.396 2.692 1.00 60.01 H new ATOM 0 HG3 ARG A 53 -9.178 -4.678 3.312 1.00 60.01 H new ATOM 0 HD2 ARG A 53 -12.047 -4.158 4.221 1.00 15.44 H new ATOM 0 HD3 ARG A 53 -11.582 -5.366 3.039 1.00 15.44 H new ATOM 0 HE ARG A 53 -10.172 -6.416 4.885 1.00 71.21 H new ATOM 0 HH11 ARG A 53 -12.996 -4.431 5.718 1.00 70.11 H new ATOM 0 HH12 ARG A 53 -13.227 -5.239 7.272 1.00 70.11 H new ATOM 0 HH21 ARG A 53 -10.484 -7.398 6.876 1.00 41.41 H new ATOM 0 HH22 ARG A 53 -11.820 -6.900 7.920 1.00 41.41 H new ATOM 895 N VAL A 54 -7.442 -0.206 5.198 1.00 14.43 N ATOM 896 CA VAL A 54 -7.199 0.965 6.058 1.00 44.52 C ATOM 897 C VAL A 54 -8.000 2.139 5.499 1.00 62.21 C ATOM 898 O VAL A 54 -8.337 2.141 4.320 1.00 2.22 O ATOM 899 CB VAL A 54 -5.672 1.347 6.127 1.00 23.52 C ATOM 900 CG1 VAL A 54 -4.847 0.257 6.860 1.00 20.53 C ATOM 901 CG2 VAL A 54 -5.098 1.634 4.709 1.00 52.54 C ATOM 0 H VAL A 54 -7.248 -0.021 4.214 1.00 14.43 H new ATOM 0 HA VAL A 54 -7.512 0.723 7.073 1.00 44.52 H new ATOM 0 HB VAL A 54 -5.589 2.265 6.709 1.00 23.52 H new ATOM 0 HG11 VAL A 54 -3.798 0.553 6.889 1.00 20.53 H new ATOM 0 HG12 VAL A 54 -5.220 0.141 7.878 1.00 20.53 H new ATOM 0 HG13 VAL A 54 -4.942 -0.690 6.329 1.00 20.53 H new ATOM 0 HG21 VAL A 54 -4.043 1.895 4.790 1.00 52.54 H new ATOM 0 HG22 VAL A 54 -5.206 0.746 4.086 1.00 52.54 H new ATOM 0 HG23 VAL A 54 -5.643 2.463 4.257 1.00 52.54 H new ATOM 911 N ARG A 55 -8.364 3.103 6.350 1.00 13.21 N ATOM 912 CA ARG A 55 -9.036 4.331 5.896 1.00 40.01 C ATOM 913 C ARG A 55 -8.207 5.557 6.285 1.00 61.01 C ATOM 914 O ARG A 55 -7.463 6.111 5.470 1.00 61.13 O ATOM 915 CB ARG A 55 -10.469 4.461 6.480 1.00 41.25 C ATOM 916 CG ARG A 55 -11.403 3.265 6.219 1.00 73.11 C ATOM 917 CD ARG A 55 -12.838 3.533 6.712 1.00 64.44 C ATOM 918 NE ARG A 55 -13.470 4.650 5.983 1.00 32.14 N ATOM 919 CZ ARG A 55 -13.798 5.848 6.497 1.00 30.33 C ATOM 920 NH1 ARG A 55 -13.565 6.140 7.773 1.00 54.33 N ATOM 921 NH2 ARG A 55 -14.336 6.765 5.710 1.00 52.52 N ATOM 0 H ARG A 55 -8.206 3.060 7.357 1.00 13.21 H new ATOM 0 HA ARG A 55 -9.123 4.273 4.811 1.00 40.01 H new ATOM 0 HB2 ARG A 55 -10.391 4.610 7.557 1.00 41.25 H new ATOM 0 HB3 ARG A 55 -10.931 5.357 6.066 1.00 41.25 H new ATOM 0 HG2 ARG A 55 -11.422 3.046 5.151 1.00 73.11 H new ATOM 0 HG3 ARG A 55 -11.008 2.381 6.719 1.00 73.11 H new ATOM 0 HD2 ARG A 55 -13.439 2.632 6.588 1.00 64.44 H new ATOM 0 HD3 ARG A 55 -12.819 3.759 7.778 1.00 64.44 H new ATOM 0 HE ARG A 55 -13.677 4.499 4.996 1.00 32.14 H new ATOM 0 HH11 ARG A 55 -13.129 5.448 8.383 1.00 54.33 H new ATOM 0 HH12 ARG A 55 -13.822 7.056 8.142 1.00 54.33 H new ATOM 0 HH21 ARG A 55 -14.498 6.560 4.724 1.00 52.52 H new ATOM 0 HH22 ARG A 55 -14.589 7.678 6.089 1.00 52.52 H new ATOM 935 N ASN A 56 -8.298 5.925 7.572 1.00 74.40 N ATOM 936 CA ASN A 56 -7.865 7.240 8.067 1.00 35.14 C ATOM 937 C ASN A 56 -6.458 7.135 8.684 1.00 2.12 C ATOM 938 O ASN A 56 -6.160 7.746 9.718 1.00 13.23 O ATOM 939 CB ASN A 56 -8.944 7.762 9.071 1.00 12.30 C ATOM 940 CG ASN A 56 -9.027 9.291 9.132 1.00 24.25 C ATOM 941 OD1 ASN A 56 -8.354 9.938 9.935 1.00 73.00 O ATOM 942 ND2 ASN A 56 -9.852 9.876 8.266 1.00 42.31 N ATOM 0 H ASN A 56 -8.675 5.318 8.300 1.00 74.40 H new ATOM 0 HA ASN A 56 -7.783 7.963 7.255 1.00 35.14 H new ATOM 0 HB2 ASN A 56 -9.918 7.363 8.787 1.00 12.30 H new ATOM 0 HB3 ASN A 56 -8.720 7.377 10.066 1.00 12.30 H new ATOM 0 HD21 ASN A 56 -9.942 10.892 8.254 1.00 42.31 H new ATOM 0 HD22 ASN A 56 -10.394 9.308 7.615 1.00 42.31 H new ATOM 949 N ILE A 57 -5.591 6.358 7.996 1.00 24.15 N ATOM 950 CA ILE A 57 -4.195 6.139 8.405 1.00 45.51 C ATOM 951 C ILE A 57 -3.388 7.462 8.392 1.00 4.25 C ATOM 952 O ILE A 57 -3.206 8.096 7.353 1.00 1.55 O ATOM 953 CB ILE A 57 -3.466 4.987 7.566 1.00 30.24 C ATOM 954 CG1 ILE A 57 -3.925 4.898 6.059 1.00 30.25 C ATOM 955 CG2 ILE A 57 -3.638 3.615 8.261 1.00 21.01 C ATOM 956 CD1 ILE A 57 -3.446 6.005 5.140 1.00 11.11 C ATOM 0 H ILE A 57 -5.846 5.866 7.140 1.00 24.15 H new ATOM 0 HA ILE A 57 -4.229 5.780 9.434 1.00 45.51 H new ATOM 0 HB ILE A 57 -2.411 5.262 7.544 1.00 30.24 H new ATOM 0 HG12 ILE A 57 -3.583 3.946 5.654 1.00 30.25 H new ATOM 0 HG13 ILE A 57 -5.015 4.882 6.034 1.00 30.25 H new ATOM 0 HG21 ILE A 57 -3.136 2.845 7.675 1.00 21.01 H new ATOM 0 HG22 ILE A 57 -3.201 3.655 9.259 1.00 21.01 H new ATOM 0 HG23 ILE A 57 -4.699 3.377 8.339 1.00 21.01 H new ATOM 0 HD11 ILE A 57 -3.827 5.832 4.133 1.00 11.11 H new ATOM 0 HD12 ILE A 57 -3.810 6.965 5.506 1.00 11.11 H new ATOM 0 HD13 ILE A 57 -2.356 6.015 5.119 1.00 11.11 H new ATOM 968 N SER A 58 -2.952 7.877 9.588 1.00 62.53 N ATOM 969 CA SER A 58 -2.150 9.095 9.783 1.00 72.34 C ATOM 970 C SER A 58 -0.675 8.883 9.385 1.00 11.30 C ATOM 971 O SER A 58 -0.339 7.836 8.858 1.00 54.34 O ATOM 972 CB SER A 58 -2.298 9.542 11.238 1.00 44.45 C ATOM 973 OG SER A 58 -3.656 9.781 11.557 1.00 61.23 O ATOM 0 H SER A 58 -3.146 7.375 10.454 1.00 62.53 H new ATOM 0 HA SER A 58 -2.518 9.883 9.126 1.00 72.34 H new ATOM 0 HB2 SER A 58 -1.894 8.777 11.901 1.00 44.45 H new ATOM 0 HB3 SER A 58 -1.716 10.448 11.405 1.00 44.45 H new ATOM 0 HG SER A 58 -3.727 10.064 12.493 1.00 61.23 H new ATOM 979 N LYS A 59 0.191 9.887 9.646 1.00 63.40 N ATOM 980 CA LYS A 59 1.602 9.906 9.164 1.00 23.34 C ATOM 981 C LYS A 59 2.398 8.617 9.542 1.00 0.34 C ATOM 982 O LYS A 59 3.082 8.027 8.703 1.00 33.21 O ATOM 983 CB LYS A 59 2.314 11.186 9.692 1.00 62.22 C ATOM 984 CG LYS A 59 2.319 11.322 11.230 1.00 25.21 C ATOM 985 CD LYS A 59 2.962 12.634 11.726 1.00 71.35 C ATOM 986 CE LYS A 59 3.073 12.680 13.261 1.00 53.14 C ATOM 987 NZ LYS A 59 1.752 12.556 13.929 1.00 33.41 N ATOM 0 H LYS A 59 -0.062 10.709 10.195 1.00 63.40 H new ATOM 0 HA LYS A 59 1.577 9.925 8.074 1.00 23.34 H new ATOM 0 HB2 LYS A 59 3.344 11.188 9.336 1.00 62.22 H new ATOM 0 HB3 LYS A 59 1.827 12.062 9.263 1.00 62.22 H new ATOM 0 HG2 LYS A 59 1.294 11.267 11.596 1.00 25.21 H new ATOM 0 HG3 LYS A 59 2.856 10.477 11.661 1.00 25.21 H new ATOM 0 HD2 LYS A 59 3.954 12.739 11.288 1.00 71.35 H new ATOM 0 HD3 LYS A 59 2.370 13.481 11.380 1.00 71.35 H new ATOM 0 HE2 LYS A 59 3.725 11.875 13.600 1.00 53.14 H new ATOM 0 HE3 LYS A 59 3.542 13.617 13.561 1.00 53.14 H new ATOM 0 HZ1 LYS A 59 1.770 13.071 14.832 1.00 33.41 H new ATOM 0 HZ2 LYS A 59 1.014 12.958 13.316 1.00 33.41 H new ATOM 0 HZ3 LYS A 59 1.546 11.552 14.107 1.00 33.41 H new ATOM 1001 N GLU A 60 2.258 8.174 10.790 1.00 62.31 N ATOM 1002 CA GLU A 60 2.959 6.980 11.320 1.00 34.21 C ATOM 1003 C GLU A 60 2.153 5.698 11.036 1.00 44.33 C ATOM 1004 O GLU A 60 2.719 4.613 10.876 1.00 21.43 O ATOM 1005 CB GLU A 60 3.253 7.136 12.845 1.00 41.21 C ATOM 1006 CG GLU A 60 2.023 7.211 13.786 1.00 42.22 C ATOM 1007 CD GLU A 60 1.190 8.494 13.627 1.00 23.33 C ATOM 1008 OE1 GLU A 60 0.169 8.468 12.919 1.00 31.41 O ATOM 1009 OE2 GLU A 60 1.572 9.546 14.182 1.00 64.41 O ATOM 0 H GLU A 60 1.654 8.628 11.475 1.00 62.31 H new ATOM 0 HA GLU A 60 3.916 6.893 10.805 1.00 34.21 H new ATOM 0 HB2 GLU A 60 3.872 6.296 13.160 1.00 41.21 H new ATOM 0 HB3 GLU A 60 3.846 8.040 12.987 1.00 41.21 H new ATOM 0 HG2 GLU A 60 1.383 6.349 13.599 1.00 42.22 H new ATOM 0 HG3 GLU A 60 2.364 7.137 14.819 1.00 42.22 H new ATOM 1016 N GLU A 61 0.820 5.847 10.979 1.00 12.24 N ATOM 1017 CA GLU A 61 -0.108 4.737 10.694 1.00 5.51 C ATOM 1018 C GLU A 61 -0.049 4.285 9.222 1.00 43.03 C ATOM 1019 O GLU A 61 -0.268 3.106 8.924 1.00 14.13 O ATOM 1020 CB GLU A 61 -1.551 5.145 11.080 1.00 11.12 C ATOM 1021 CG GLU A 61 -1.732 5.523 12.562 1.00 52.01 C ATOM 1022 CD GLU A 61 -1.283 4.412 13.528 1.00 22.21 C ATOM 1023 OE1 GLU A 61 -0.265 4.586 14.234 1.00 22.11 O ATOM 1024 OE2 GLU A 61 -1.945 3.351 13.569 1.00 1.31 O ATOM 0 H GLU A 61 0.353 6.741 11.129 1.00 12.24 H new ATOM 0 HA GLU A 61 0.204 3.885 11.298 1.00 5.51 H new ATOM 0 HB2 GLU A 61 -1.854 5.991 10.463 1.00 11.12 H new ATOM 0 HB3 GLU A 61 -2.224 4.321 10.843 1.00 11.12 H new ATOM 0 HG2 GLU A 61 -1.164 6.430 12.771 1.00 52.01 H new ATOM 0 HG3 GLU A 61 -2.781 5.754 12.746 1.00 52.01 H new ATOM 1031 N LEU A 62 0.262 5.207 8.305 1.00 15.03 N ATOM 1032 CA LEU A 62 0.330 4.893 6.864 1.00 13.32 C ATOM 1033 C LEU A 62 1.611 4.120 6.558 1.00 23.24 C ATOM 1034 O LEU A 62 1.681 3.351 5.588 1.00 53.22 O ATOM 1035 CB LEU A 62 0.176 6.178 5.997 1.00 15.43 C ATOM 1036 CG LEU A 62 1.296 7.286 6.060 1.00 44.31 C ATOM 1037 CD1 LEU A 62 2.519 6.962 5.161 1.00 2.14 C ATOM 1038 CD2 LEU A 62 0.724 8.682 5.713 1.00 12.11 C ATOM 0 H LEU A 62 0.472 6.179 8.530 1.00 15.03 H new ATOM 0 HA LEU A 62 -0.509 4.250 6.599 1.00 13.32 H new ATOM 0 HB2 LEU A 62 0.083 5.863 4.957 1.00 15.43 H new ATOM 0 HB3 LEU A 62 -0.768 6.649 6.273 1.00 15.43 H new ATOM 0 HG LEU A 62 1.652 7.298 7.090 1.00 44.31 H new ATOM 0 HD11 LEU A 62 3.255 7.761 5.247 1.00 2.14 H new ATOM 0 HD12 LEU A 62 2.966 6.021 5.480 1.00 2.14 H new ATOM 0 HD13 LEU A 62 2.196 6.877 4.124 1.00 2.14 H new ATOM 0 HD21 LEU A 62 1.520 9.425 5.765 1.00 12.11 H new ATOM 0 HD22 LEU A 62 0.309 8.665 4.705 1.00 12.11 H new ATOM 0 HD23 LEU A 62 -0.061 8.941 6.424 1.00 12.11 H new ATOM 1050 N LYS A 63 2.627 4.328 7.426 1.00 1.43 N ATOM 1051 CA LYS A 63 3.866 3.550 7.404 1.00 15.14 C ATOM 1052 C LYS A 63 3.591 2.065 7.644 1.00 33.32 C ATOM 1053 O LYS A 63 4.366 1.236 7.182 1.00 4.35 O ATOM 1054 CB LYS A 63 4.904 4.070 8.437 1.00 3.44 C ATOM 1055 CG LYS A 63 5.756 5.280 7.958 1.00 43.23 C ATOM 1056 CD LYS A 63 7.217 5.191 8.467 1.00 62.43 C ATOM 1057 CE LYS A 63 7.932 3.907 7.973 1.00 40.01 C ATOM 1058 NZ LYS A 63 9.331 3.803 8.463 1.00 14.31 N ATOM 0 H LYS A 63 2.602 5.040 8.156 1.00 1.43 H new ATOM 0 HA LYS A 63 4.293 3.675 6.409 1.00 15.14 H new ATOM 0 HB2 LYS A 63 4.377 4.353 9.348 1.00 3.44 H new ATOM 0 HB3 LYS A 63 5.576 3.252 8.698 1.00 3.44 H new ATOM 0 HG2 LYS A 63 5.752 5.319 6.869 1.00 43.23 H new ATOM 0 HG3 LYS A 63 5.303 6.206 8.312 1.00 43.23 H new ATOM 0 HD2 LYS A 63 7.772 6.066 8.129 1.00 62.43 H new ATOM 0 HD3 LYS A 63 7.222 5.211 9.557 1.00 62.43 H new ATOM 0 HE2 LYS A 63 7.370 3.033 8.304 1.00 40.01 H new ATOM 0 HE3 LYS A 63 7.931 3.893 6.883 1.00 40.01 H new ATOM 0 HZ1 LYS A 63 9.761 2.927 8.103 1.00 14.31 H new ATOM 0 HZ2 LYS A 63 9.878 4.621 8.127 1.00 14.31 H new ATOM 0 HZ3 LYS A 63 9.334 3.788 9.503 1.00 14.31 H new ATOM 1072 N LYS A 64 2.473 1.737 8.343 1.00 72.25 N ATOM 1073 CA LYS A 64 2.077 0.334 8.582 1.00 61.22 C ATOM 1074 C LYS A 64 1.887 -0.397 7.249 1.00 64.53 C ATOM 1075 O LYS A 64 2.248 -1.553 7.132 1.00 33.42 O ATOM 1076 CB LYS A 64 0.784 0.235 9.442 1.00 60.43 C ATOM 1077 CG LYS A 64 0.934 0.782 10.883 1.00 4.02 C ATOM 1078 CD LYS A 64 2.053 0.082 11.691 1.00 71.31 C ATOM 1079 CE LYS A 64 1.796 -1.420 11.883 1.00 55.50 C ATOM 1080 NZ LYS A 64 2.949 -2.095 12.519 1.00 50.42 N ATOM 0 H LYS A 64 1.837 2.425 8.747 1.00 72.25 H new ATOM 0 HA LYS A 64 2.880 -0.144 9.142 1.00 61.22 H new ATOM 0 HB2 LYS A 64 -0.015 0.781 8.940 1.00 60.43 H new ATOM 0 HB3 LYS A 64 0.474 -0.809 9.492 1.00 60.43 H new ATOM 0 HG2 LYS A 64 1.142 1.851 10.838 1.00 4.02 H new ATOM 0 HG3 LYS A 64 -0.013 0.663 11.409 1.00 4.02 H new ATOM 0 HD2 LYS A 64 3.006 0.221 11.180 1.00 71.31 H new ATOM 0 HD3 LYS A 64 2.143 0.559 12.667 1.00 71.31 H new ATOM 0 HE2 LYS A 64 0.907 -1.562 12.498 1.00 55.50 H new ATOM 0 HE3 LYS A 64 1.592 -1.881 10.917 1.00 55.50 H new ATOM 0 HZ1 LYS A 64 2.739 -3.107 12.633 1.00 50.42 H new ATOM 0 HZ2 LYS A 64 3.792 -1.981 11.920 1.00 50.42 H new ATOM 0 HZ3 LYS A 64 3.128 -1.672 13.452 1.00 50.42 H new ATOM 1094 N LEU A 65 1.390 0.344 6.238 1.00 2.32 N ATOM 1095 CA LEU A 65 1.137 -0.186 4.885 1.00 60.01 C ATOM 1096 C LEU A 65 2.461 -0.499 4.175 1.00 74.14 C ATOM 1097 O LEU A 65 2.572 -1.500 3.459 1.00 50.25 O ATOM 1098 CB LEU A 65 0.290 0.816 4.045 1.00 65.33 C ATOM 1099 CG LEU A 65 -1.212 0.975 4.456 1.00 70.22 C ATOM 1100 CD1 LEU A 65 -1.927 -0.397 4.492 1.00 64.35 C ATOM 1101 CD2 LEU A 65 -1.376 1.738 5.797 1.00 21.33 C ATOM 0 H LEU A 65 1.152 1.331 6.339 1.00 2.32 H new ATOM 0 HA LEU A 65 0.569 -1.111 4.983 1.00 60.01 H new ATOM 0 HB2 LEU A 65 0.765 1.795 4.101 1.00 65.33 H new ATOM 0 HB3 LEU A 65 0.327 0.503 3.001 1.00 65.33 H new ATOM 0 HG LEU A 65 -1.692 1.584 3.690 1.00 70.22 H new ATOM 0 HD11 LEU A 65 -2.969 -0.257 4.780 1.00 64.35 H new ATOM 0 HD12 LEU A 65 -1.882 -0.857 3.505 1.00 64.35 H new ATOM 0 HD13 LEU A 65 -1.434 -1.045 5.216 1.00 64.35 H new ATOM 0 HD21 LEU A 65 -2.435 1.823 6.040 1.00 21.33 H new ATOM 0 HD22 LEU A 65 -0.864 1.193 6.590 1.00 21.33 H new ATOM 0 HD23 LEU A 65 -0.944 2.734 5.704 1.00 21.33 H new ATOM 1113 N LEU A 66 3.463 0.365 4.415 1.00 2.52 N ATOM 1114 CA LEU A 66 4.828 0.201 3.879 1.00 30.21 C ATOM 1115 C LEU A 66 5.480 -1.045 4.492 1.00 3.42 C ATOM 1116 O LEU A 66 6.145 -1.826 3.801 1.00 12.13 O ATOM 1117 CB LEU A 66 5.688 1.460 4.183 1.00 15.12 C ATOM 1118 CG LEU A 66 5.063 2.832 3.782 1.00 73.11 C ATOM 1119 CD1 LEU A 66 6.042 3.985 4.081 1.00 32.55 C ATOM 1120 CD2 LEU A 66 4.600 2.837 2.305 1.00 43.31 C ATOM 0 H LEU A 66 3.349 1.201 4.989 1.00 2.52 H new ATOM 0 HA LEU A 66 4.768 0.078 2.798 1.00 30.21 H new ATOM 0 HB2 LEU A 66 5.901 1.480 5.252 1.00 15.12 H new ATOM 0 HB3 LEU A 66 6.643 1.355 3.669 1.00 15.12 H new ATOM 0 HG LEU A 66 4.172 2.987 4.391 1.00 73.11 H new ATOM 0 HD11 LEU A 66 5.587 4.933 3.794 1.00 32.55 H new ATOM 0 HD12 LEU A 66 6.271 4.001 5.147 1.00 32.55 H new ATOM 0 HD13 LEU A 66 6.961 3.838 3.514 1.00 32.55 H new ATOM 0 HD21 LEU A 66 4.170 3.809 2.062 1.00 43.31 H new ATOM 0 HD22 LEU A 66 5.454 2.645 1.655 1.00 43.31 H new ATOM 0 HD23 LEU A 66 3.849 2.061 2.156 1.00 43.31 H new ATOM 1132 N GLU A 67 5.246 -1.221 5.803 1.00 1.14 N ATOM 1133 CA GLU A 67 5.753 -2.362 6.573 1.00 11.05 C ATOM 1134 C GLU A 67 5.012 -3.659 6.189 1.00 15.12 C ATOM 1135 O GLU A 67 5.567 -4.751 6.321 1.00 34.14 O ATOM 1136 CB GLU A 67 5.651 -2.090 8.101 1.00 43.34 C ATOM 1137 CG GLU A 67 6.290 -0.761 8.588 1.00 3.04 C ATOM 1138 CD GLU A 67 7.756 -0.553 8.154 1.00 10.44 C ATOM 1139 OE1 GLU A 67 8.662 -1.104 8.815 1.00 41.41 O ATOM 1140 OE2 GLU A 67 8.018 0.177 7.160 1.00 21.30 O ATOM 0 H GLU A 67 4.695 -0.568 6.360 1.00 1.14 H new ATOM 0 HA GLU A 67 6.807 -2.494 6.327 1.00 11.05 H new ATOM 0 HB2 GLU A 67 4.598 -2.091 8.383 1.00 43.34 H new ATOM 0 HB3 GLU A 67 6.124 -2.916 8.632 1.00 43.34 H new ATOM 0 HG2 GLU A 67 5.693 0.071 8.215 1.00 3.04 H new ATOM 0 HG3 GLU A 67 6.239 -0.727 9.676 1.00 3.04 H new ATOM 1147 N ARG A 68 3.767 -3.514 5.691 1.00 52.31 N ATOM 1148 CA ARG A 68 2.939 -4.647 5.231 1.00 42.42 C ATOM 1149 C ARG A 68 3.308 -5.099 3.798 1.00 14.14 C ATOM 1150 O ARG A 68 2.962 -6.212 3.405 1.00 73.54 O ATOM 1151 CB ARG A 68 1.419 -4.312 5.324 1.00 54.05 C ATOM 1152 CG ARG A 68 0.835 -4.233 6.762 1.00 33.34 C ATOM 1153 CD ARG A 68 1.102 -5.499 7.587 1.00 13.33 C ATOM 1154 NE ARG A 68 0.553 -5.427 8.953 1.00 71.33 N ATOM 1155 CZ ARG A 68 1.097 -6.007 10.039 1.00 31.01 C ATOM 1156 NH1 ARG A 68 2.223 -6.708 9.946 1.00 62.34 N ATOM 1157 NH2 ARG A 68 0.496 -5.891 11.213 1.00 33.32 N ATOM 0 H ARG A 68 3.308 -2.608 5.597 1.00 52.31 H new ATOM 0 HA ARG A 68 3.151 -5.480 5.901 1.00 42.42 H new ATOM 0 HB2 ARG A 68 1.245 -3.357 4.828 1.00 54.05 H new ATOM 0 HB3 ARG A 68 0.864 -5.067 4.767 1.00 54.05 H new ATOM 0 HG2 ARG A 68 1.265 -3.373 7.276 1.00 33.34 H new ATOM 0 HG3 ARG A 68 -0.240 -4.064 6.703 1.00 33.34 H new ATOM 0 HD2 ARG A 68 0.670 -6.358 7.073 1.00 13.33 H new ATOM 0 HD3 ARG A 68 2.177 -5.669 7.643 1.00 13.33 H new ATOM 0 HE ARG A 68 -0.307 -4.896 9.086 1.00 71.33 H new ATOM 0 HH11 ARG A 68 2.686 -6.812 9.043 1.00 62.34 H new ATOM 0 HH12 ARG A 68 2.624 -7.142 10.778 1.00 62.34 H new ATOM 0 HH21 ARG A 68 -0.374 -5.364 11.291 1.00 33.32 H new ATOM 0 HH22 ARG A 68 0.903 -6.328 12.040 1.00 33.32 H new ATOM 1171 N ILE A 69 3.966 -4.232 3.013 1.00 42.43 N ATOM 1172 CA ILE A 69 4.497 -4.598 1.675 1.00 71.14 C ATOM 1173 C ILE A 69 5.909 -5.219 1.808 1.00 5.14 C ATOM 1174 O ILE A 69 6.204 -6.294 1.233 1.00 23.33 O ATOM 1175 CB ILE A 69 4.540 -3.341 0.716 1.00 50.42 C ATOM 1176 CG1 ILE A 69 3.105 -2.723 0.543 1.00 2.05 C ATOM 1177 CG2 ILE A 69 5.164 -3.697 -0.666 1.00 12.25 C ATOM 1178 CD1 ILE A 69 3.060 -1.397 -0.207 1.00 50.32 C ATOM 0 H ILE A 69 4.148 -3.264 3.278 1.00 42.43 H new ATOM 0 HA ILE A 69 3.826 -5.336 1.236 1.00 71.14 H new ATOM 0 HB ILE A 69 5.181 -2.592 1.181 1.00 50.42 H new ATOM 0 HG12 ILE A 69 2.477 -3.442 0.017 1.00 2.05 H new ATOM 0 HG13 ILE A 69 2.666 -2.580 1.530 1.00 2.05 H new ATOM 0 HG21 ILE A 69 5.177 -2.810 -1.299 1.00 12.25 H new ATOM 0 HG22 ILE A 69 6.183 -4.056 -0.523 1.00 12.25 H new ATOM 0 HG23 ILE A 69 4.569 -4.475 -1.144 1.00 12.25 H new ATOM 0 HD11 ILE A 69 2.028 -1.052 -0.275 1.00 50.32 H new ATOM 0 HD12 ILE A 69 3.656 -0.657 0.327 1.00 50.32 H new ATOM 0 HD13 ILE A 69 3.464 -1.533 -1.210 1.00 50.32 H new ATOM 1190 N ARG A 70 6.780 -4.527 2.581 1.00 22.25 N ATOM 1191 CA ARG A 70 8.203 -4.904 2.720 1.00 21.04 C ATOM 1192 C ARG A 70 8.337 -6.311 3.331 1.00 23.03 C ATOM 1193 O ARG A 70 9.212 -7.084 2.924 1.00 31.42 O ATOM 1194 CB ARG A 70 8.993 -3.862 3.567 1.00 11.43 C ATOM 1195 CG ARG A 70 8.712 -3.912 5.084 1.00 63.43 C ATOM 1196 CD ARG A 70 9.372 -2.772 5.872 1.00 45.44 C ATOM 1197 NE ARG A 70 10.840 -2.821 5.856 1.00 32.33 N ATOM 1198 CZ ARG A 70 11.646 -1.916 6.441 1.00 2.21 C ATOM 1199 NH1 ARG A 70 11.146 -0.867 7.097 1.00 42.25 N ATOM 1200 NH2 ARG A 70 12.957 -2.089 6.392 1.00 13.51 N ATOM 0 H ARG A 70 6.518 -3.701 3.119 1.00 22.25 H new ATOM 0 HA ARG A 70 8.638 -4.916 1.721 1.00 21.04 H new ATOM 0 HB2 ARG A 70 10.060 -4.017 3.404 1.00 11.43 H new ATOM 0 HB3 ARG A 70 8.756 -2.863 3.201 1.00 11.43 H new ATOM 0 HG2 ARG A 70 7.635 -3.878 5.246 1.00 63.43 H new ATOM 0 HG3 ARG A 70 9.064 -4.865 5.478 1.00 63.43 H new ATOM 0 HD2 ARG A 70 9.044 -1.818 5.459 1.00 45.44 H new ATOM 0 HD3 ARG A 70 9.027 -2.808 6.905 1.00 45.44 H new ATOM 0 HE ARG A 70 11.281 -3.599 5.365 1.00 32.33 H new ATOM 0 HH11 ARG A 70 10.136 -0.740 7.162 1.00 42.25 H new ATOM 0 HH12 ARG A 70 11.774 -0.192 7.534 1.00 42.25 H new ATOM 0 HH21 ARG A 70 13.347 -2.902 5.914 1.00 13.51 H new ATOM 0 HH22 ARG A 70 13.578 -1.410 6.832 1.00 13.51 H new ATOM 1214 N GLU A 71 7.417 -6.659 4.263 1.00 5.21 N ATOM 1215 CA GLU A 71 7.423 -7.968 4.928 1.00 52.01 C ATOM 1216 C GLU A 71 7.212 -9.083 3.905 1.00 53.35 C ATOM 1217 O GLU A 71 7.829 -10.134 4.008 1.00 1.23 O ATOM 1218 CB GLU A 71 6.342 -8.043 6.037 1.00 63.23 C ATOM 1219 CG GLU A 71 4.891 -7.911 5.536 1.00 3.41 C ATOM 1220 CD GLU A 71 3.831 -7.983 6.640 1.00 64.22 C ATOM 1221 OE1 GLU A 71 3.911 -7.198 7.594 1.00 73.42 O ATOM 1222 OE2 GLU A 71 2.888 -8.794 6.527 1.00 4.32 O ATOM 0 H GLU A 71 6.662 -6.043 4.566 1.00 5.21 H new ATOM 0 HA GLU A 71 8.397 -8.099 5.400 1.00 52.01 H new ATOM 0 HB2 GLU A 71 6.445 -8.993 6.562 1.00 63.23 H new ATOM 0 HB3 GLU A 71 6.533 -7.254 6.765 1.00 63.23 H new ATOM 0 HG2 GLU A 71 4.786 -6.962 5.010 1.00 3.41 H new ATOM 0 HG3 GLU A 71 4.697 -8.701 4.811 1.00 3.41 H new ATOM 1229 N LYS A 72 6.376 -8.788 2.876 1.00 2.22 N ATOM 1230 CA LYS A 72 5.990 -9.755 1.849 1.00 13.25 C ATOM 1231 C LYS A 72 7.188 -10.070 0.951 1.00 24.30 C ATOM 1232 O LYS A 72 7.514 -11.239 0.725 1.00 42.13 O ATOM 1233 CB LYS A 72 4.808 -9.228 0.994 1.00 12.11 C ATOM 1234 CG LYS A 72 3.530 -8.865 1.776 1.00 54.52 C ATOM 1235 CD LYS A 72 3.070 -9.977 2.745 1.00 22.53 C ATOM 1236 CE LYS A 72 1.623 -9.794 3.224 1.00 22.42 C ATOM 1237 NZ LYS A 72 1.396 -8.513 3.935 1.00 62.21 N ATOM 0 H LYS A 72 5.957 -7.867 2.747 1.00 2.22 H new ATOM 0 HA LYS A 72 5.663 -10.667 2.349 1.00 13.25 H new ATOM 0 HB2 LYS A 72 5.142 -8.345 0.449 1.00 12.11 H new ATOM 0 HB3 LYS A 72 4.555 -9.984 0.251 1.00 12.11 H new ATOM 0 HG2 LYS A 72 3.706 -7.950 2.341 1.00 54.52 H new ATOM 0 HG3 LYS A 72 2.728 -8.654 1.069 1.00 54.52 H new ATOM 0 HD2 LYS A 72 3.164 -10.944 2.251 1.00 22.53 H new ATOM 0 HD3 LYS A 72 3.734 -9.995 3.610 1.00 22.53 H new ATOM 0 HE2 LYS A 72 0.954 -9.848 2.365 1.00 22.42 H new ATOM 0 HE3 LYS A 72 1.360 -10.620 3.885 1.00 22.42 H new ATOM 0 HZ1 LYS A 72 0.387 -8.264 3.889 1.00 62.21 H new ATOM 0 HZ2 LYS A 72 1.683 -8.612 4.930 1.00 62.21 H new ATOM 0 HZ3 LYS A 72 1.958 -7.762 3.486 1.00 62.21 H new ATOM 1251 N ILE A 73 7.856 -9.010 0.457 1.00 14.35 N ATOM 1252 CA ILE A 73 9.010 -9.178 -0.455 1.00 55.11 C ATOM 1253 C ILE A 73 10.250 -9.762 0.277 1.00 4.51 C ATOM 1254 O ILE A 73 11.134 -10.329 -0.367 1.00 32.01 O ATOM 1255 CB ILE A 73 9.340 -7.841 -1.249 1.00 73.41 C ATOM 1256 CG1 ILE A 73 9.688 -6.623 -0.314 1.00 13.14 C ATOM 1257 CG2 ILE A 73 8.156 -7.484 -2.176 1.00 33.02 C ATOM 1258 CD1 ILE A 73 11.133 -6.536 0.147 1.00 51.54 C ATOM 0 H ILE A 73 7.623 -8.040 0.669 1.00 14.35 H new ATOM 0 HA ILE A 73 8.722 -9.916 -1.204 1.00 55.11 H new ATOM 0 HB ILE A 73 10.237 -8.036 -1.837 1.00 73.41 H new ATOM 0 HG12 ILE A 73 9.438 -5.702 -0.841 1.00 13.14 H new ATOM 0 HG13 ILE A 73 9.048 -6.671 0.567 1.00 13.14 H new ATOM 0 HG21 ILE A 73 8.383 -6.567 -2.720 1.00 33.02 H new ATOM 0 HG22 ILE A 73 7.992 -8.295 -2.885 1.00 33.02 H new ATOM 0 HG23 ILE A 73 7.257 -7.337 -1.578 1.00 33.02 H new ATOM 0 HD11 ILE A 73 11.259 -5.661 0.784 1.00 51.54 H new ATOM 0 HD12 ILE A 73 11.391 -7.434 0.708 1.00 51.54 H new ATOM 0 HD13 ILE A 73 11.787 -6.450 -0.721 1.00 51.54 H new ATOM 1270 N GLU A 74 10.302 -9.618 1.622 1.00 54.54 N ATOM 1271 CA GLU A 74 11.388 -10.192 2.461 1.00 61.22 C ATOM 1272 C GLU A 74 11.136 -11.683 2.808 1.00 32.24 C ATOM 1273 O GLU A 74 12.078 -12.490 2.761 1.00 61.21 O ATOM 1274 CB GLU A 74 11.584 -9.336 3.756 1.00 20.42 C ATOM 1275 CG GLU A 74 12.187 -7.932 3.499 1.00 52.33 C ATOM 1276 CD GLU A 74 12.335 -7.066 4.767 1.00 61.32 C ATOM 1277 OE1 GLU A 74 13.269 -7.315 5.554 1.00 43.10 O ATOM 1278 OE2 GLU A 74 11.535 -6.120 4.966 1.00 32.22 O ATOM 0 H GLU A 74 9.600 -9.105 2.156 1.00 54.54 H new ATOM 0 HA GLU A 74 12.308 -10.158 1.877 1.00 61.22 H new ATOM 0 HB2 GLU A 74 10.620 -9.221 4.252 1.00 20.42 H new ATOM 0 HB3 GLU A 74 12.233 -9.879 4.443 1.00 20.42 H new ATOM 0 HG2 GLU A 74 13.167 -8.049 3.036 1.00 52.33 H new ATOM 0 HG3 GLU A 74 11.557 -7.404 2.783 1.00 52.33 H new ATOM 1285 N ARG A 75 9.879 -12.052 3.153 1.00 72.34 N ATOM 1286 CA ARG A 75 9.533 -13.451 3.535 1.00 25.24 C ATOM 1287 C ARG A 75 9.545 -14.379 2.304 1.00 4.43 C ATOM 1288 O ARG A 75 10.083 -15.495 2.358 1.00 54.43 O ATOM 1289 CB ARG A 75 8.151 -13.547 4.273 1.00 34.53 C ATOM 1290 CG ARG A 75 6.925 -13.008 3.486 1.00 20.35 C ATOM 1291 CD ARG A 75 5.555 -13.264 4.164 1.00 71.54 C ATOM 1292 NE ARG A 75 5.061 -14.629 3.901 1.00 21.43 N ATOM 1293 CZ ARG A 75 3.827 -15.093 4.164 1.00 4.04 C ATOM 1294 NH1 ARG A 75 2.901 -14.324 4.728 1.00 40.12 N ATOM 1295 NH2 ARG A 75 3.520 -16.333 3.822 1.00 54.42 N ATOM 0 H ARG A 75 9.089 -11.408 3.176 1.00 72.34 H new ATOM 0 HA ARG A 75 10.300 -13.781 4.235 1.00 25.24 H new ATOM 0 HB2 ARG A 75 7.967 -14.591 4.525 1.00 34.53 H new ATOM 0 HB3 ARG A 75 8.224 -13.001 5.213 1.00 34.53 H new ATOM 0 HG2 ARG A 75 7.048 -11.935 3.340 1.00 20.35 H new ATOM 0 HG3 ARG A 75 6.916 -13.465 2.497 1.00 20.35 H new ATOM 0 HD2 ARG A 75 5.647 -13.112 5.239 1.00 71.54 H new ATOM 0 HD3 ARG A 75 4.828 -12.538 3.800 1.00 71.54 H new ATOM 0 HE ARG A 75 5.719 -15.284 3.479 1.00 21.43 H new ATOM 0 HH11 ARG A 75 3.120 -13.358 4.971 1.00 40.12 H new ATOM 0 HH12 ARG A 75 1.972 -14.700 4.917 1.00 40.12 H new ATOM 0 HH21 ARG A 75 4.215 -16.923 3.365 1.00 54.42 H new ATOM 0 HH22 ARG A 75 2.588 -16.699 4.015 1.00 54.42 H new ATOM 1309 N GLU A 76 8.966 -13.892 1.195 1.00 43.30 N ATOM 1310 CA GLU A 76 8.837 -14.654 -0.058 1.00 22.24 C ATOM 1311 C GLU A 76 10.141 -14.598 -0.863 1.00 32.33 C ATOM 1312 O GLU A 76 10.581 -15.609 -1.429 1.00 24.00 O ATOM 1313 CB GLU A 76 7.644 -14.106 -0.898 1.00 55.50 C ATOM 1314 CG GLU A 76 6.282 -14.114 -0.164 1.00 44.11 C ATOM 1315 CD GLU A 76 5.840 -15.513 0.314 1.00 24.02 C ATOM 1316 OE1 GLU A 76 5.253 -16.258 -0.491 1.00 25.42 O ATOM 1317 OE2 GLU A 76 6.084 -15.871 1.489 1.00 12.23 O ATOM 0 H GLU A 76 8.572 -12.953 1.142 1.00 43.30 H new ATOM 0 HA GLU A 76 8.638 -15.697 0.187 1.00 22.24 H new ATOM 0 HB2 GLU A 76 7.871 -13.085 -1.204 1.00 55.50 H new ATOM 0 HB3 GLU A 76 7.555 -14.699 -1.808 1.00 55.50 H new ATOM 0 HG2 GLU A 76 6.340 -13.448 0.697 1.00 44.11 H new ATOM 0 HG3 GLU A 76 5.519 -13.710 -0.829 1.00 44.11 H new ATOM 1324 N GLY A 77 10.754 -13.394 -0.893 1.00 4.42 N ATOM 1325 CA GLY A 77 11.946 -13.135 -1.713 1.00 70.21 C ATOM 1326 C GLY A 77 11.653 -13.188 -3.211 1.00 14.11 C ATOM 1327 O GLY A 77 12.572 -13.252 -4.033 1.00 41.54 O ATOM 0 H GLY A 77 10.437 -12.587 -0.355 1.00 4.42 H new ATOM 0 HA2 GLY A 77 12.350 -12.155 -1.460 1.00 70.21 H new ATOM 0 HA3 GLY A 77 12.715 -13.869 -1.471 1.00 70.21 H new ATOM 1331 N SER A 78 10.355 -13.135 -3.547 1.00 62.44 N ATOM 1332 CA SER A 78 9.854 -13.309 -4.904 1.00 25.20 C ATOM 1333 C SER A 78 9.854 -11.964 -5.643 1.00 52.53 C ATOM 1334 O SER A 78 9.423 -10.939 -5.092 1.00 43.31 O ATOM 1335 CB SER A 78 8.431 -13.902 -4.850 1.00 3.55 C ATOM 1336 OG SER A 78 8.403 -15.087 -4.075 1.00 45.24 O ATOM 0 H SER A 78 9.616 -12.966 -2.864 1.00 62.44 H new ATOM 0 HA SER A 78 10.503 -13.995 -5.448 1.00 25.20 H new ATOM 0 HB2 SER A 78 7.744 -13.170 -4.426 1.00 3.55 H new ATOM 0 HB3 SER A 78 8.084 -14.116 -5.861 1.00 3.55 H new ATOM 0 HG SER A 78 8.269 -15.859 -4.663 1.00 45.24 H new ATOM 1342 N SER A 79 10.339 -12.002 -6.895 1.00 51.12 N ATOM 1343 CA SER A 79 10.372 -10.839 -7.795 1.00 22.45 C ATOM 1344 C SER A 79 8.981 -10.578 -8.420 1.00 11.53 C ATOM 1345 O SER A 79 8.776 -9.558 -9.072 1.00 20.30 O ATOM 1346 CB SER A 79 11.430 -11.092 -8.895 1.00 62.13 C ATOM 1347 OG SER A 79 12.691 -11.411 -8.318 1.00 32.31 O ATOM 0 H SER A 79 10.723 -12.849 -7.314 1.00 51.12 H new ATOM 0 HA SER A 79 10.641 -9.950 -7.225 1.00 22.45 H new ATOM 0 HB2 SER A 79 11.103 -11.908 -9.540 1.00 62.13 H new ATOM 0 HB3 SER A 79 11.526 -10.207 -9.524 1.00 62.13 H new ATOM 0 HG SER A 79 13.346 -11.569 -9.030 1.00 32.31 H new ATOM 1353 N GLU A 80 8.043 -11.512 -8.179 1.00 30.34 N ATOM 1354 CA GLU A 80 6.672 -11.507 -8.722 1.00 53.34 C ATOM 1355 C GLU A 80 5.762 -10.595 -7.873 1.00 3.14 C ATOM 1356 O GLU A 80 4.697 -11.017 -7.433 1.00 12.32 O ATOM 1357 CB GLU A 80 6.116 -12.982 -8.734 1.00 31.42 C ATOM 1358 CG GLU A 80 6.830 -13.970 -9.693 1.00 10.05 C ATOM 1359 CD GLU A 80 8.316 -14.237 -9.358 1.00 61.11 C ATOM 1360 OE1 GLU A 80 8.644 -14.443 -8.172 1.00 62.33 O ATOM 1361 OE2 GLU A 80 9.156 -14.258 -10.284 1.00 2.24 O ATOM 0 H GLU A 80 8.225 -12.318 -7.581 1.00 30.34 H new ATOM 0 HA GLU A 80 6.686 -11.118 -9.740 1.00 53.34 H new ATOM 0 HB2 GLU A 80 6.178 -13.381 -7.721 1.00 31.42 H new ATOM 0 HB3 GLU A 80 5.059 -12.949 -8.999 1.00 31.42 H new ATOM 0 HG2 GLU A 80 6.293 -14.918 -9.681 1.00 10.05 H new ATOM 0 HG3 GLU A 80 6.765 -13.580 -10.709 1.00 10.05 H new ATOM 1368 N VAL A 81 6.177 -9.333 -7.671 1.00 14.12 N ATOM 1369 CA VAL A 81 5.490 -8.390 -6.767 1.00 14.54 C ATOM 1370 C VAL A 81 4.726 -7.315 -7.565 1.00 73.52 C ATOM 1371 O VAL A 81 5.277 -6.675 -8.460 1.00 42.41 O ATOM 1372 CB VAL A 81 6.496 -7.727 -5.746 1.00 72.14 C ATOM 1373 CG1 VAL A 81 7.739 -7.120 -6.455 1.00 32.12 C ATOM 1374 CG2 VAL A 81 5.778 -6.676 -4.845 1.00 2.12 C ATOM 0 H VAL A 81 6.998 -8.936 -8.129 1.00 14.12 H new ATOM 0 HA VAL A 81 4.764 -8.962 -6.189 1.00 14.54 H new ATOM 0 HB VAL A 81 6.864 -8.523 -5.098 1.00 72.14 H new ATOM 0 HG11 VAL A 81 8.401 -6.676 -5.712 1.00 32.12 H new ATOM 0 HG12 VAL A 81 8.271 -7.905 -6.992 1.00 32.12 H new ATOM 0 HG13 VAL A 81 7.418 -6.353 -7.159 1.00 32.12 H new ATOM 0 HG21 VAL A 81 6.497 -6.238 -4.153 1.00 2.12 H new ATOM 0 HG22 VAL A 81 5.351 -5.892 -5.470 1.00 2.12 H new ATOM 0 HG23 VAL A 81 4.983 -7.163 -4.281 1.00 2.12 H new ATOM 1384 N GLU A 82 3.437 -7.142 -7.223 1.00 52.11 N ATOM 1385 CA GLU A 82 2.554 -6.163 -7.858 1.00 72.34 C ATOM 1386 C GLU A 82 1.614 -5.554 -6.799 1.00 72.50 C ATOM 1387 O GLU A 82 0.712 -6.235 -6.312 1.00 2.14 O ATOM 1388 CB GLU A 82 1.746 -6.851 -8.977 1.00 11.22 C ATOM 1389 CG GLU A 82 0.948 -5.904 -9.889 1.00 75.24 C ATOM 1390 CD GLU A 82 0.028 -6.658 -10.863 1.00 75.24 C ATOM 1391 OE1 GLU A 82 0.542 -7.278 -11.818 1.00 40.54 O ATOM 1392 OE2 GLU A 82 -1.207 -6.659 -10.659 1.00 32.13 O ATOM 0 H GLU A 82 2.980 -7.686 -6.491 1.00 52.11 H new ATOM 0 HA GLU A 82 3.145 -5.360 -8.299 1.00 72.34 H new ATOM 0 HB2 GLU A 82 2.432 -7.431 -9.594 1.00 11.22 H new ATOM 0 HB3 GLU A 82 1.054 -7.558 -8.520 1.00 11.22 H new ATOM 0 HG2 GLU A 82 0.348 -5.233 -9.274 1.00 75.24 H new ATOM 0 HG3 GLU A 82 1.641 -5.283 -10.457 1.00 75.24 H new ATOM 1399 N VAL A 83 1.814 -4.271 -6.456 1.00 51.25 N ATOM 1400 CA VAL A 83 1.020 -3.597 -5.412 1.00 22.43 C ATOM 1401 C VAL A 83 -0.102 -2.791 -6.089 1.00 32.32 C ATOM 1402 O VAL A 83 0.160 -1.794 -6.756 1.00 13.34 O ATOM 1403 CB VAL A 83 1.923 -2.641 -4.538 1.00 2.04 C ATOM 1404 CG1 VAL A 83 1.096 -1.937 -3.427 1.00 70.24 C ATOM 1405 CG2 VAL A 83 3.127 -3.414 -3.940 1.00 34.42 C ATOM 0 H VAL A 83 2.521 -3.676 -6.888 1.00 51.25 H new ATOM 0 HA VAL A 83 0.594 -4.349 -4.747 1.00 22.43 H new ATOM 0 HB VAL A 83 2.315 -1.863 -5.193 1.00 2.04 H new ATOM 0 HG11 VAL A 83 1.749 -1.287 -2.844 1.00 70.24 H new ATOM 0 HG12 VAL A 83 0.305 -1.342 -3.884 1.00 70.24 H new ATOM 0 HG13 VAL A 83 0.653 -2.688 -2.772 1.00 70.24 H new ATOM 0 HG21 VAL A 83 3.735 -2.735 -3.342 1.00 34.42 H new ATOM 0 HG22 VAL A 83 2.762 -4.225 -3.310 1.00 34.42 H new ATOM 0 HG23 VAL A 83 3.732 -3.826 -4.748 1.00 34.42 H new ATOM 1415 N ASN A 84 -1.347 -3.258 -5.931 1.00 10.30 N ATOM 1416 CA ASN A 84 -2.544 -2.590 -6.466 1.00 35.51 C ATOM 1417 C ASN A 84 -3.250 -1.858 -5.330 1.00 14.43 C ATOM 1418 O ASN A 84 -3.844 -2.488 -4.451 1.00 13.25 O ATOM 1419 CB ASN A 84 -3.506 -3.627 -7.117 1.00 33.13 C ATOM 1420 CG ASN A 84 -3.028 -4.198 -8.461 1.00 72.11 C ATOM 1421 OD1 ASN A 84 -3.834 -4.464 -9.346 1.00 54.43 O ATOM 1422 ND2 ASN A 84 -1.735 -4.443 -8.614 1.00 73.12 N ATOM 0 H ASN A 84 -1.555 -4.118 -5.424 1.00 10.30 H new ATOM 0 HA ASN A 84 -2.246 -1.877 -7.235 1.00 35.51 H new ATOM 0 HB2 ASN A 84 -3.653 -4.452 -6.420 1.00 33.13 H new ATOM 0 HB3 ASN A 84 -4.478 -3.157 -7.264 1.00 33.13 H new ATOM 0 HD21 ASN A 84 -1.394 -4.860 -9.480 1.00 73.12 H new ATOM 0 HD22 ASN A 84 -1.081 -4.214 -7.866 1.00 73.12 H new ATOM 1429 N VAL A 85 -3.172 -0.526 -5.348 1.00 71.45 N ATOM 1430 CA VAL A 85 -3.853 0.331 -4.376 1.00 60.20 C ATOM 1431 C VAL A 85 -5.211 0.747 -4.960 1.00 34.44 C ATOM 1432 O VAL A 85 -5.281 1.575 -5.866 1.00 73.40 O ATOM 1433 CB VAL A 85 -2.980 1.600 -4.036 1.00 65.54 C ATOM 1434 CG1 VAL A 85 -3.674 2.497 -2.980 1.00 25.22 C ATOM 1435 CG2 VAL A 85 -1.561 1.177 -3.578 1.00 34.43 C ATOM 0 H VAL A 85 -2.631 -0.009 -6.041 1.00 71.45 H new ATOM 0 HA VAL A 85 -4.004 -0.218 -3.447 1.00 60.20 H new ATOM 0 HB VAL A 85 -2.878 2.194 -4.944 1.00 65.54 H new ATOM 0 HG11 VAL A 85 -3.046 3.362 -2.768 1.00 25.22 H new ATOM 0 HG12 VAL A 85 -4.637 2.833 -3.364 1.00 25.22 H new ATOM 0 HG13 VAL A 85 -3.828 1.928 -2.063 1.00 25.22 H new ATOM 0 HG21 VAL A 85 -0.973 2.065 -3.348 1.00 34.43 H new ATOM 0 HG22 VAL A 85 -1.637 0.552 -2.688 1.00 34.43 H new ATOM 0 HG23 VAL A 85 -1.074 0.616 -4.375 1.00 34.43 H new ATOM 1445 N HIS A 86 -6.275 0.131 -4.449 1.00 53.14 N ATOM 1446 CA HIS A 86 -7.655 0.419 -4.847 1.00 64.04 C ATOM 1447 C HIS A 86 -8.253 1.349 -3.785 1.00 13.12 C ATOM 1448 O HIS A 86 -8.437 0.929 -2.645 1.00 11.52 O ATOM 1449 CB HIS A 86 -8.475 -0.899 -4.915 1.00 72.11 C ATOM 1450 CG HIS A 86 -7.839 -2.037 -5.699 1.00 41.53 C ATOM 1451 ND1 HIS A 86 -8.170 -2.345 -7.000 1.00 42.21 N ATOM 1452 CD2 HIS A 86 -6.925 -2.976 -5.325 1.00 51.14 C ATOM 1453 CE1 HIS A 86 -7.501 -3.417 -7.385 1.00 32.30 C ATOM 1454 NE2 HIS A 86 -6.739 -3.821 -6.391 1.00 32.12 N ATOM 0 H HIS A 86 -6.203 -0.594 -3.735 1.00 53.14 H new ATOM 0 HA HIS A 86 -7.681 0.887 -5.831 1.00 64.04 H new ATOM 0 HB2 HIS A 86 -8.659 -1.243 -3.897 1.00 72.11 H new ATOM 0 HB3 HIS A 86 -9.446 -0.677 -5.357 1.00 72.11 H new ATOM 0 HD2 HIS A 86 -6.436 -3.043 -4.365 1.00 51.14 H new ATOM 0 HE1 HIS A 86 -7.568 -3.885 -8.356 1.00 32.30 H new ATOM 0 HE2 HIS A 86 -6.115 -4.627 -6.409 1.00 32.12 H new ATOM 1463 N SER A 87 -8.548 2.594 -4.150 1.00 32.40 N ATOM 1464 CA SER A 87 -9.072 3.598 -3.210 1.00 75.33 C ATOM 1465 C SER A 87 -9.854 4.658 -3.982 1.00 71.55 C ATOM 1466 O SER A 87 -9.455 5.014 -5.098 1.00 71.31 O ATOM 1467 CB SER A 87 -7.912 4.230 -2.403 1.00 14.50 C ATOM 1468 OG SER A 87 -6.894 4.729 -3.248 1.00 53.22 O ATOM 0 H SER A 87 -8.433 2.941 -5.102 1.00 32.40 H new ATOM 0 HA SER A 87 -9.747 3.119 -2.501 1.00 75.33 H new ATOM 0 HB2 SER A 87 -8.299 5.039 -1.784 1.00 14.50 H new ATOM 0 HB3 SER A 87 -7.491 3.485 -1.728 1.00 14.50 H new ATOM 0 HG SER A 87 -6.031 4.675 -2.787 1.00 53.22 H new ATOM 1474 N GLY A 88 -10.973 5.132 -3.389 1.00 24.15 N ATOM 1475 CA GLY A 88 -11.846 6.124 -4.020 1.00 44.35 C ATOM 1476 C GLY A 88 -12.587 5.560 -5.236 1.00 72.10 C ATOM 1477 O GLY A 88 -13.629 4.916 -5.094 1.00 1.10 O ATOM 0 H GLY A 88 -11.287 4.834 -2.465 1.00 24.15 H new ATOM 0 HA2 GLY A 88 -12.572 6.482 -3.290 1.00 44.35 H new ATOM 0 HA3 GLY A 88 -11.251 6.984 -4.327 1.00 44.35 H new ATOM 1481 N GLY A 89 -12.027 5.807 -6.425 1.00 11.11 N ATOM 1482 CA GLY A 89 -12.551 5.269 -7.685 1.00 52.31 C ATOM 1483 C GLY A 89 -11.428 4.888 -8.647 1.00 14.42 C ATOM 1484 O GLY A 89 -11.684 4.618 -9.824 1.00 54.33 O ATOM 0 H GLY A 89 -11.196 6.387 -6.541 1.00 11.11 H new ATOM 0 HA2 GLY A 89 -13.166 4.393 -7.479 1.00 52.31 H new ATOM 0 HA3 GLY A 89 -13.198 6.009 -8.156 1.00 52.31 H new ATOM 1488 N GLN A 90 -10.176 4.854 -8.135 1.00 72.44 N ATOM 1489 CA GLN A 90 -8.962 4.571 -8.936 1.00 13.20 C ATOM 1490 C GLN A 90 -8.223 3.339 -8.393 1.00 33.24 C ATOM 1491 O GLN A 90 -8.409 2.940 -7.235 1.00 60.02 O ATOM 1492 CB GLN A 90 -7.991 5.785 -8.918 1.00 64.03 C ATOM 1493 CG GLN A 90 -8.531 7.070 -9.579 1.00 71.22 C ATOM 1494 CD GLN A 90 -7.595 8.268 -9.382 1.00 62.44 C ATOM 1495 OE1 GLN A 90 -6.690 8.508 -10.176 1.00 40.53 O ATOM 1496 NE2 GLN A 90 -7.812 9.027 -8.321 1.00 1.41 N ATOM 0 H GLN A 90 -9.978 5.023 -7.149 1.00 72.44 H new ATOM 0 HA GLN A 90 -9.286 4.379 -9.959 1.00 13.20 H new ATOM 0 HB2 GLN A 90 -7.734 6.009 -7.883 1.00 64.03 H new ATOM 0 HB3 GLN A 90 -7.067 5.498 -9.420 1.00 64.03 H new ATOM 0 HG2 GLN A 90 -8.672 6.895 -10.645 1.00 71.22 H new ATOM 0 HG3 GLN A 90 -9.510 7.305 -9.162 1.00 71.22 H new ATOM 0 HE21 GLN A 90 -8.572 8.801 -7.679 1.00 1.41 H new ATOM 0 HE22 GLN A 90 -7.219 9.838 -8.144 1.00 1.41 H new ATOM 1505 N THR A 91 -7.378 2.755 -9.254 1.00 62.23 N ATOM 1506 CA THR A 91 -6.457 1.675 -8.894 1.00 72.33 C ATOM 1507 C THR A 91 -5.065 1.997 -9.450 1.00 62.05 C ATOM 1508 O THR A 91 -4.882 2.078 -10.669 1.00 5.33 O ATOM 1509 CB THR A 91 -6.946 0.292 -9.441 1.00 64.33 C ATOM 1510 OG1 THR A 91 -8.208 -0.046 -8.842 1.00 41.30 O ATOM 1511 CG2 THR A 91 -5.923 -0.836 -9.173 1.00 34.22 C ATOM 0 H THR A 91 -7.317 3.026 -10.235 1.00 62.23 H new ATOM 0 HA THR A 91 -6.419 1.602 -7.807 1.00 72.33 H new ATOM 0 HB THR A 91 -7.056 0.386 -10.521 1.00 64.33 H new ATOM 0 HG1 THR A 91 -8.096 -0.829 -8.263 1.00 41.30 H new ATOM 0 HG21 THR A 91 -6.306 -1.776 -9.570 1.00 34.22 H new ATOM 0 HG22 THR A 91 -4.979 -0.594 -9.660 1.00 34.22 H new ATOM 0 HG23 THR A 91 -5.763 -0.934 -8.099 1.00 34.22 H new ATOM 1519 N TRP A 92 -4.102 2.217 -8.551 1.00 62.51 N ATOM 1520 CA TRP A 92 -2.691 2.365 -8.913 1.00 22.10 C ATOM 1521 C TRP A 92 -2.050 0.969 -8.933 1.00 53.21 C ATOM 1522 O TRP A 92 -1.937 0.329 -7.887 1.00 24.03 O ATOM 1523 CB TRP A 92 -1.977 3.290 -7.890 1.00 2.11 C ATOM 1524 CG TRP A 92 -2.479 4.726 -7.905 1.00 32.23 C ATOM 1525 CD1 TRP A 92 -1.913 5.787 -8.559 1.00 2.51 C ATOM 1526 CD2 TRP A 92 -3.645 5.253 -7.241 1.00 43.22 C ATOM 1527 NE1 TRP A 92 -2.649 6.924 -8.344 1.00 11.33 N ATOM 1528 CE2 TRP A 92 -3.710 6.625 -7.537 1.00 30.21 C ATOM 1529 CE3 TRP A 92 -4.633 4.700 -6.425 1.00 42.23 C ATOM 1530 CZ2 TRP A 92 -4.723 7.450 -7.049 1.00 52.30 C ATOM 1531 CZ3 TRP A 92 -5.636 5.515 -5.942 1.00 21.53 C ATOM 1532 CH2 TRP A 92 -5.674 6.877 -6.250 1.00 4.33 C ATOM 0 H TRP A 92 -4.280 2.298 -7.550 1.00 62.51 H new ATOM 0 HA TRP A 92 -2.595 2.822 -9.898 1.00 22.10 H new ATOM 0 HB2 TRP A 92 -2.109 2.879 -6.889 1.00 2.11 H new ATOM 0 HB3 TRP A 92 -0.907 3.287 -8.097 1.00 2.11 H new ATOM 0 HD1 TRP A 92 -1.016 5.736 -9.158 1.00 2.51 H new ATOM 0 HE1 TRP A 92 -2.438 7.846 -8.726 1.00 11.33 H new ATOM 0 HE3 TRP A 92 -4.613 3.649 -6.175 1.00 42.23 H new ATOM 0 HZ2 TRP A 92 -4.755 8.502 -7.293 1.00 52.30 H new ATOM 0 HZ3 TRP A 92 -6.406 5.092 -5.314 1.00 21.53 H new ATOM 0 HH2 TRP A 92 -6.469 7.489 -5.850 1.00 4.33 H new ATOM 1543 N THR A 93 -1.644 0.501 -10.122 1.00 34.23 N ATOM 1544 CA THR A 93 -1.032 -0.824 -10.293 1.00 21.33 C ATOM 1545 C THR A 93 0.489 -0.663 -10.450 1.00 54.22 C ATOM 1546 O THR A 93 0.984 -0.225 -11.502 1.00 71.04 O ATOM 1547 CB THR A 93 -1.649 -1.578 -11.526 1.00 24.02 C ATOM 1548 OG1 THR A 93 -3.074 -1.674 -11.361 1.00 33.03 O ATOM 1549 CG2 THR A 93 -1.068 -2.997 -11.708 1.00 40.34 C ATOM 0 H THR A 93 -1.730 1.029 -10.990 1.00 34.23 H new ATOM 0 HA THR A 93 -1.239 -1.428 -9.409 1.00 21.33 H new ATOM 0 HB THR A 93 -1.396 -1.002 -12.416 1.00 24.02 H new ATOM 0 HG1 THR A 93 -3.461 -2.142 -12.130 1.00 33.03 H new ATOM 0 HG21 THR A 93 -1.530 -3.471 -12.574 1.00 40.34 H new ATOM 0 HG22 THR A 93 0.009 -2.932 -11.861 1.00 40.34 H new ATOM 0 HG23 THR A 93 -1.273 -3.591 -10.817 1.00 40.34 H new ATOM 1557 N PHE A 94 1.215 -0.978 -9.374 1.00 64.33 N ATOM 1558 CA PHE A 94 2.677 -1.014 -9.361 1.00 0.35 C ATOM 1559 C PHE A 94 3.108 -2.433 -9.760 1.00 13.21 C ATOM 1560 O PHE A 94 2.963 -3.355 -8.975 1.00 12.13 O ATOM 1561 CB PHE A 94 3.210 -0.642 -7.941 1.00 10.01 C ATOM 1562 CG PHE A 94 2.897 0.797 -7.509 1.00 3.43 C ATOM 1563 CD1 PHE A 94 1.636 1.146 -7.013 1.00 64.11 C ATOM 1564 CD2 PHE A 94 3.861 1.808 -7.612 1.00 42.34 C ATOM 1565 CE1 PHE A 94 1.355 2.445 -6.628 1.00 51.32 C ATOM 1566 CE2 PHE A 94 3.577 3.107 -7.225 1.00 21.32 C ATOM 1567 CZ PHE A 94 2.323 3.425 -6.737 1.00 62.52 C ATOM 0 H PHE A 94 0.796 -1.218 -8.475 1.00 64.33 H new ATOM 0 HA PHE A 94 3.091 -0.290 -10.063 1.00 0.35 H new ATOM 0 HB2 PHE A 94 2.781 -1.330 -7.212 1.00 10.01 H new ATOM 0 HB3 PHE A 94 4.290 -0.789 -7.920 1.00 10.01 H new ATOM 0 HD1 PHE A 94 0.870 0.389 -6.929 1.00 64.11 H new ATOM 0 HD2 PHE A 94 4.841 1.571 -7.999 1.00 42.34 H new ATOM 0 HE1 PHE A 94 0.378 2.693 -6.242 1.00 51.32 H new ATOM 0 HE2 PHE A 94 4.335 3.872 -7.304 1.00 21.32 H new ATOM 0 HZ PHE A 94 2.100 4.439 -6.441 1.00 62.52 H new ATOM 1577 N ASN A 95 3.630 -2.586 -10.982 1.00 11.15 N ATOM 1578 CA ASN A 95 3.964 -3.897 -11.579 1.00 52.30 C ATOM 1579 C ASN A 95 5.465 -4.185 -11.412 1.00 0.50 C ATOM 1580 O ASN A 95 6.274 -3.249 -11.436 1.00 4.25 O ATOM 1581 CB ASN A 95 3.585 -3.868 -13.092 1.00 4.04 C ATOM 1582 CG ASN A 95 3.928 -5.140 -13.883 1.00 71.43 C ATOM 1583 OD1 ASN A 95 4.324 -5.074 -15.050 1.00 43.15 O ATOM 1584 ND2 ASN A 95 3.737 -6.303 -13.285 1.00 31.32 N ATOM 0 H ASN A 95 3.837 -1.798 -11.596 1.00 11.15 H new ATOM 0 HA ASN A 95 3.406 -4.687 -11.076 1.00 52.30 H new ATOM 0 HB2 ASN A 95 2.514 -3.686 -13.177 1.00 4.04 H new ATOM 0 HB3 ASN A 95 4.090 -3.023 -13.559 1.00 4.04 H new ATOM 0 HD21 ASN A 95 3.917 -7.171 -13.789 1.00 31.32 H new ATOM 0 HD22 ASN A 95 3.409 -6.332 -12.320 1.00 31.32 H new ATOM 1591 N GLU A 96 5.821 -5.478 -11.240 1.00 72.33 N ATOM 1592 CA GLU A 96 7.223 -5.936 -11.187 1.00 25.43 C ATOM 1593 C GLU A 96 7.965 -5.534 -12.486 1.00 45.02 C ATOM 1594 O GLU A 96 7.764 -6.119 -13.558 1.00 14.42 O ATOM 1595 CB GLU A 96 7.323 -7.478 -10.924 1.00 11.42 C ATOM 1596 CG GLU A 96 6.521 -8.415 -11.888 1.00 4.22 C ATOM 1597 CD GLU A 96 5.149 -8.887 -11.352 1.00 23.11 C ATOM 1598 OE1 GLU A 96 4.269 -8.042 -11.104 1.00 42.23 O ATOM 1599 OE2 GLU A 96 4.924 -10.116 -11.231 1.00 21.32 O ATOM 0 H GLU A 96 5.142 -6.232 -11.134 1.00 72.33 H new ATOM 0 HA GLU A 96 7.708 -5.443 -10.345 1.00 25.43 H new ATOM 0 HB2 GLU A 96 8.374 -7.763 -10.971 1.00 11.42 H new ATOM 0 HB3 GLU A 96 6.986 -7.671 -9.906 1.00 11.42 H new ATOM 0 HG2 GLU A 96 6.365 -7.892 -12.832 1.00 4.22 H new ATOM 0 HG3 GLU A 96 7.130 -9.292 -12.107 1.00 4.22 H new ATOM 1606 N LYS A 97 8.788 -4.485 -12.371 1.00 62.45 N ATOM 1607 CA LYS A 97 9.466 -3.861 -13.508 1.00 74.10 C ATOM 1608 C LYS A 97 10.872 -4.485 -13.674 1.00 50.31 C ATOM 1609 O LYS A 97 11.714 -4.305 -12.770 1.00 50.23 O ATOM 1610 CB LYS A 97 9.538 -2.315 -13.297 1.00 62.10 C ATOM 1611 CG LYS A 97 9.843 -1.501 -14.579 1.00 22.21 C ATOM 1612 CD LYS A 97 8.708 -1.584 -15.637 1.00 62.10 C ATOM 1613 CE LYS A 97 7.368 -1.004 -15.135 1.00 65.45 C ATOM 1614 NZ LYS A 97 6.288 -1.134 -16.152 1.00 30.34 N ATOM 1615 OXT LYS A 97 11.120 -5.163 -14.690 1.00 37.85 O ATOM 0 H LYS A 97 9.002 -4.043 -11.477 1.00 62.45 H new ATOM 0 HA LYS A 97 8.906 -4.043 -14.425 1.00 74.10 H new ATOM 0 HB2 LYS A 97 8.589 -1.974 -12.883 1.00 62.10 H new ATOM 0 HB3 LYS A 97 10.306 -2.099 -12.554 1.00 62.10 H new ATOM 0 HG2 LYS A 97 10.005 -0.457 -14.310 1.00 22.21 H new ATOM 0 HG3 LYS A 97 10.771 -1.864 -15.021 1.00 22.21 H new ATOM 0 HD2 LYS A 97 9.016 -1.047 -16.534 1.00 62.10 H new ATOM 0 HD3 LYS A 97 8.562 -2.626 -15.923 1.00 62.10 H new ATOM 0 HE2 LYS A 97 7.070 -1.519 -14.222 1.00 65.45 H new ATOM 0 HE3 LYS A 97 7.501 0.047 -14.880 1.00 65.45 H new ATOM 0 HZ1 LYS A 97 5.406 -0.733 -15.775 1.00 30.34 H new ATOM 0 HZ2 LYS A 97 6.560 -0.622 -17.015 1.00 30.34 H new ATOM 0 HZ3 LYS A 97 6.142 -2.139 -16.377 1.00 30.34 H new TER 1629 LYS A 97