USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 839 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: X 64 GLN : amide:sc= -7.06! C(o=-11!,f=-6.3!) USER MOD Set 1.2: X 68 ASN : amide:sc= -4.41! K(o=-11!,f=-6.3) USER MOD Set 2.1: X 16 LYS NZ :NH3+ -178:sc= -7.44! (180deg=-0.229) USER MOD Set 2.2: X 20 LYS NZ :NH3+ -165:sc= -6.57! (180deg=0) USER MOD Single : X 1 MET CE :methyl 154:sc= -0.195 (180deg=-1.26) USER MOD Single : X 1 MET N :NH3+ -161:sc= -0.0184 (180deg=-0.324) USER MOD Single : X 3 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : X 6 SER OG : rot 180:sc= -0.266 USER MOD Single : X 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 8 HIS : no HD1:sc= 0 X(o=0,f=-0.035) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.16) USER MOD Single : X 17 GLN : amide:sc= -0.0161 K(o=-0.016,f=-1.7!) USER MOD Single : X 21 THR OG1 : rot -77:sc= 0.945 USER MOD Single : X 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 28 TYR OH : rot 180:sc= -2.89! USER MOD Single : X 33 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.119) USER MOD Single : X 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 41 THR OG1 : rot 180:sc= -0.033 USER MOD Single : X 42 CYS SG : rot -56:sc= 0.278! USER MOD Single : X 47 GLN : amide:sc= -8.66! K(o=-8.7!,f=-3.5) USER MOD Single : X 50 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : X 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 62 CYS SG : rot 75:sc= 0.43 USER MOD Single : X 66 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 69 THR OG1 : rot 95:sc= 1.22 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot 180:sc= -0.0122 USER MOD Single : X 81 SER OG : rot -57:sc= 0.834 USER MOD Single : X 82 TYR OH : rot -99:sc= 0.605 USER MOD Single : X 84 ASN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : X 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 96 ASN : amide:sc= -1.62 K(o=-1.6,f=-5.3!) USER MOD Single : X 98 GLN : amide:sc= -0.351 K(o=-0.35,f=-1.4!) USER MOD Single : X 100 MET CE :methyl 155:sc= -0.236 (180deg=-1.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 62.113 -11.937 -10.623 1.00 1.00 N ATOM 2 CA MET X 1 61.680 -10.770 -9.805 1.00 1.00 C ATOM 3 C MET X 1 62.191 -9.484 -10.446 1.00 1.00 C ATOM 4 O MET X 1 63.376 -9.362 -10.755 1.00 1.00 O ATOM 5 CB MET X 1 62.240 -10.908 -8.388 1.00 1.00 C ATOM 6 CG MET X 1 61.507 -12.035 -7.656 1.00 1.00 C ATOM 7 SD MET X 1 62.250 -12.274 -6.023 1.00 1.00 S ATOM 8 CE MET X 1 61.783 -10.674 -5.315 1.00 1.00 C ATOM 0 H1 MET X 1 61.521 -12.761 -10.393 1.00 1.00 H new ATOM 0 H2 MET X 1 62.012 -11.710 -11.633 1.00 1.00 H new ATOM 0 H3 MET X 1 63.108 -12.157 -10.415 1.00 1.00 H new ATOM 0 HA MET X 1 60.592 -10.737 -9.757 1.00 1.00 H new ATOM 0 HB2 MET X 1 63.308 -11.120 -8.427 1.00 1.00 H new ATOM 0 HB3 MET X 1 62.121 -9.970 -7.846 1.00 1.00 H new ATOM 0 HG2 MET X 1 60.450 -11.790 -7.554 1.00 1.00 H new ATOM 0 HG3 MET X 1 61.566 -12.958 -8.233 1.00 1.00 H new ATOM 0 HE1 MET X 1 61.717 -10.761 -4.230 1.00 1.00 H new ATOM 0 HE2 MET X 1 62.534 -9.928 -5.574 1.00 1.00 H new ATOM 0 HE3 MET X 1 60.816 -10.368 -5.714 1.00 1.00 H new ATOM 20 N GLY X 2 61.289 -8.528 -10.642 1.00 1.00 N ATOM 21 CA GLY X 2 61.662 -7.255 -11.249 1.00 1.00 C ATOM 22 C GLY X 2 62.694 -6.529 -10.395 1.00 1.00 C ATOM 23 O GLY X 2 63.608 -5.890 -10.919 1.00 1.00 O ATOM 0 H GLY X 2 60.303 -8.609 -10.392 1.00 1.00 H new ATOM 0 HA2 GLY X 2 62.066 -7.427 -12.247 1.00 1.00 H new ATOM 0 HA3 GLY X 2 60.777 -6.630 -11.367 1.00 1.00 H new ATOM 27 N GLN X 3 62.547 -6.636 -9.079 1.00 1.00 N ATOM 28 CA GLN X 3 63.475 -5.987 -8.160 1.00 1.00 C ATOM 29 C GLN X 3 63.593 -4.502 -8.485 1.00 1.00 C ATOM 30 O GLN X 3 62.851 -3.981 -9.318 1.00 1.00 O ATOM 31 CB GLN X 3 64.853 -6.646 -8.263 1.00 1.00 C ATOM 32 CG GLN X 3 64.763 -8.094 -7.780 1.00 1.00 C ATOM 33 CD GLN X 3 66.118 -8.779 -7.928 1.00 1.00 C ATOM 34 OE1 GLN X 3 67.138 -8.240 -7.501 1.00 1.00 O ATOM 35 NE2 GLN X 3 66.188 -9.945 -8.511 1.00 1.00 N ATOM 0 H GLN X 3 61.799 -7.162 -8.627 1.00 1.00 H new ATOM 0 HA GLN X 3 63.095 -6.097 -7.144 1.00 1.00 H new ATOM 0 HB2 GLN X 3 65.206 -6.617 -9.294 1.00 1.00 H new ATOM 0 HB3 GLN X 3 65.577 -6.095 -7.662 1.00 1.00 H new ATOM 0 HG2 GLN X 3 64.446 -8.119 -6.738 1.00 1.00 H new ATOM 0 HG3 GLN X 3 64.010 -8.632 -8.356 1.00 1.00 H new ATOM 0 HE21 GLN X 3 65.341 -10.390 -8.864 1.00 1.00 H new ATOM 0 HE22 GLN X 3 67.090 -10.411 -8.613 1.00 1.00 H new ATOM 44 N GLU X 4 64.532 -3.828 -7.825 1.00 1.00 N ATOM 45 CA GLU X 4 64.741 -2.402 -8.050 1.00 1.00 C ATOM 46 C GLU X 4 66.067 -2.163 -8.760 1.00 1.00 C ATOM 47 O GLU X 4 67.131 -2.486 -8.230 1.00 1.00 O ATOM 48 CB GLU X 4 64.734 -1.655 -6.715 1.00 1.00 C ATOM 49 CG GLU X 4 63.326 -1.691 -6.120 1.00 1.00 C ATOM 50 CD GLU X 4 63.325 -1.041 -4.740 1.00 1.00 C ATOM 51 OE1 GLU X 4 64.373 -0.575 -4.326 1.00 1.00 O ATOM 52 OE2 GLU X 4 62.277 -1.021 -4.117 1.00 1.00 O ATOM 0 H GLU X 4 65.156 -4.244 -7.134 1.00 1.00 H new ATOM 0 HA GLU X 4 63.932 -2.030 -8.678 1.00 1.00 H new ATOM 0 HB2 GLU X 4 65.444 -2.113 -6.026 1.00 1.00 H new ATOM 0 HB3 GLU X 4 65.052 -0.623 -6.862 1.00 1.00 H new ATOM 0 HG2 GLU X 4 62.631 -1.168 -6.777 1.00 1.00 H new ATOM 0 HG3 GLU X 4 62.980 -2.722 -6.046 1.00 1.00 H new ATOM 59 N LEU X 5 65.995 -1.596 -9.960 1.00 1.00 N ATOM 60 CA LEU X 5 67.199 -1.319 -10.734 1.00 1.00 C ATOM 61 C LEU X 5 67.537 0.167 -10.682 1.00 1.00 C ATOM 62 O LEU X 5 66.706 1.015 -11.007 1.00 1.00 O ATOM 63 CB LEU X 5 66.995 -1.750 -12.192 1.00 1.00 C ATOM 64 CG LEU X 5 68.317 -1.623 -12.962 1.00 1.00 C ATOM 65 CD1 LEU X 5 69.359 -2.587 -12.385 1.00 1.00 C ATOM 66 CD2 LEU X 5 68.081 -1.955 -14.437 1.00 1.00 C ATOM 0 H LEU X 5 65.124 -1.322 -10.414 1.00 1.00 H new ATOM 0 HA LEU X 5 68.025 -1.883 -10.302 1.00 1.00 H new ATOM 0 HB2 LEU X 5 66.639 -2.780 -12.230 1.00 1.00 H new ATOM 0 HB3 LEU X 5 66.230 -1.131 -12.660 1.00 1.00 H new ATOM 0 HG LEU X 5 68.686 -0.602 -12.868 1.00 1.00 H new ATOM 0 HD11 LEU X 5 70.292 -2.488 -12.939 1.00 1.00 H new ATOM 0 HD12 LEU X 5 69.533 -2.349 -11.336 1.00 1.00 H new ATOM 0 HD13 LEU X 5 68.994 -3.611 -12.469 1.00 1.00 H new ATOM 0 HD21 LEU X 5 69.019 -1.865 -14.985 1.00 1.00 H new ATOM 0 HD22 LEU X 5 67.706 -2.975 -14.525 1.00 1.00 H new ATOM 0 HD23 LEU X 5 67.350 -1.262 -14.853 1.00 1.00 H new ATOM 78 N SER X 6 68.764 0.473 -10.274 1.00 1.00 N ATOM 79 CA SER X 6 69.206 1.859 -10.183 1.00 1.00 C ATOM 80 C SER X 6 70.639 2.002 -10.689 1.00 1.00 C ATOM 81 O SER X 6 71.368 1.017 -10.810 1.00 1.00 O ATOM 82 CB SER X 6 69.126 2.336 -8.735 1.00 1.00 C ATOM 83 OG SER X 6 70.091 1.638 -7.958 1.00 1.00 O ATOM 0 H SER X 6 69.466 -0.216 -10.003 1.00 1.00 H new ATOM 0 HA SER X 6 68.552 2.470 -10.805 1.00 1.00 H new ATOM 0 HB2 SER X 6 69.307 3.410 -8.683 1.00 1.00 H new ATOM 0 HB3 SER X 6 68.126 2.162 -8.337 1.00 1.00 H new ATOM 0 HG SER X 6 70.044 1.943 -7.028 1.00 1.00 H new ATOM 89 N GLN X 7 71.036 3.235 -10.986 1.00 1.00 N ATOM 90 CA GLN X 7 72.381 3.497 -11.480 1.00 1.00 C ATOM 91 C GLN X 7 73.422 3.154 -10.416 1.00 1.00 C ATOM 92 O GLN X 7 74.544 2.764 -10.734 1.00 1.00 O ATOM 93 CB GLN X 7 72.516 4.970 -11.877 1.00 1.00 C ATOM 94 CG GLN X 7 73.860 5.189 -12.575 1.00 1.00 C ATOM 95 CD GLN X 7 73.981 6.640 -13.031 1.00 1.00 C ATOM 96 OE1 GLN X 7 73.977 7.554 -12.208 1.00 1.00 O ATOM 97 NE2 GLN X 7 74.086 6.905 -14.305 1.00 1.00 N ATOM 0 H GLN X 7 70.449 4.064 -10.894 1.00 1.00 H new ATOM 0 HA GLN X 7 72.554 2.869 -12.354 1.00 1.00 H new ATOM 0 HB2 GLN X 7 71.699 5.255 -12.540 1.00 1.00 H new ATOM 0 HB3 GLN X 7 72.446 5.604 -10.993 1.00 1.00 H new ATOM 0 HG2 GLN X 7 74.676 4.943 -11.896 1.00 1.00 H new ATOM 0 HG3 GLN X 7 73.947 4.521 -13.432 1.00 1.00 H new ATOM 0 HE21 GLN X 7 74.089 6.145 -14.985 1.00 1.00 H new ATOM 0 HE22 GLN X 7 74.165 7.872 -14.620 1.00 1.00 H new ATOM 106 N HIS X 8 73.038 3.302 -9.150 1.00 1.00 N ATOM 107 CA HIS X 8 73.945 3.009 -8.045 1.00 1.00 C ATOM 108 C HIS X 8 74.296 1.526 -8.028 1.00 1.00 C ATOM 109 O HIS X 8 75.431 1.150 -7.733 1.00 1.00 O ATOM 110 CB HIS X 8 73.299 3.401 -6.716 1.00 1.00 C ATOM 111 CG HIS X 8 73.129 4.895 -6.661 1.00 1.00 C ATOM 112 ND1 HIS X 8 74.207 5.759 -6.559 1.00 1.00 N ATOM 113 CD2 HIS X 8 72.011 5.693 -6.694 1.00 1.00 C ATOM 114 CE1 HIS X 8 73.721 7.014 -6.533 1.00 1.00 C ATOM 115 NE2 HIS X 8 72.388 7.030 -6.613 1.00 1.00 N ATOM 0 H HIS X 8 72.112 3.621 -8.866 1.00 1.00 H new ATOM 0 HA HIS X 8 74.858 3.588 -8.183 1.00 1.00 H new ATOM 0 HB2 HIS X 8 72.331 2.910 -6.611 1.00 1.00 H new ATOM 0 HB3 HIS X 8 73.919 3.064 -5.885 1.00 1.00 H new ATOM 0 HD2 HIS X 8 70.994 5.337 -6.771 1.00 1.00 H new ATOM 0 HE1 HIS X 8 74.334 7.900 -6.457 1.00 1.00 H new ATOM 0 HE2 HIS X 8 71.777 7.847 -6.614 1.00 1.00 H new ATOM 123 N GLU X 9 73.316 0.690 -8.351 1.00 1.00 N ATOM 124 CA GLU X 9 73.531 -0.751 -8.380 1.00 1.00 C ATOM 125 C GLU X 9 74.510 -1.120 -9.490 1.00 1.00 C ATOM 126 O GLU X 9 75.250 -2.094 -9.385 1.00 1.00 O ATOM 127 CB GLU X 9 72.202 -1.475 -8.593 1.00 1.00 C ATOM 128 CG GLU X 9 71.337 -1.342 -7.339 1.00 1.00 C ATOM 129 CD GLU X 9 69.973 -1.980 -7.577 1.00 1.00 C ATOM 130 OE1 GLU X 9 69.749 -2.459 -8.677 1.00 1.00 O ATOM 131 OE2 GLU X 9 69.173 -1.981 -6.656 1.00 1.00 O ATOM 0 H GLU X 9 72.370 0.983 -8.595 1.00 1.00 H new ATOM 0 HA GLU X 9 73.954 -1.059 -7.424 1.00 1.00 H new ATOM 0 HB2 GLU X 9 71.681 -1.054 -9.453 1.00 1.00 H new ATOM 0 HB3 GLU X 9 72.381 -2.527 -8.813 1.00 1.00 H new ATOM 0 HG2 GLU X 9 71.830 -1.823 -6.494 1.00 1.00 H new ATOM 0 HG3 GLU X 9 71.216 -0.290 -7.081 1.00 1.00 H new ATOM 138 N ARG X 10 74.505 -0.341 -10.565 1.00 1.00 N ATOM 139 CA ARG X 10 75.401 -0.598 -11.679 1.00 1.00 C ATOM 140 C ARG X 10 76.841 -0.260 -11.299 1.00 1.00 C ATOM 141 O ARG X 10 77.779 -0.958 -11.689 1.00 1.00 O ATOM 142 CB ARG X 10 74.982 0.235 -12.888 1.00 1.00 C ATOM 143 CG ARG X 10 73.608 -0.232 -13.367 1.00 1.00 C ATOM 144 CD ARG X 10 73.224 0.526 -14.640 1.00 1.00 C ATOM 145 NE ARG X 10 71.902 0.112 -15.096 1.00 1.00 N ATOM 146 CZ ARG X 10 71.714 -1.074 -15.665 1.00 1.00 C ATOM 147 NH1 ARG X 10 72.720 -1.891 -15.819 1.00 1.00 N ATOM 148 NH2 ARG X 10 70.523 -1.422 -16.069 1.00 1.00 N ATOM 0 H ARG X 10 73.895 0.467 -10.686 1.00 1.00 H new ATOM 0 HA ARG X 10 75.343 -1.657 -11.930 1.00 1.00 H new ATOM 0 HB2 ARG X 10 74.948 1.292 -12.623 1.00 1.00 H new ATOM 0 HB3 ARG X 10 75.714 0.130 -13.688 1.00 1.00 H new ATOM 0 HG2 ARG X 10 73.624 -1.304 -13.561 1.00 1.00 H new ATOM 0 HG3 ARG X 10 72.863 -0.060 -12.590 1.00 1.00 H new ATOM 0 HD2 ARG X 10 73.231 1.599 -14.448 1.00 1.00 H new ATOM 0 HD3 ARG X 10 73.961 0.337 -15.420 1.00 1.00 H new ATOM 0 HE ARG X 10 71.109 0.743 -14.976 1.00 1.00 H new ATOM 0 HH11 ARG X 10 73.651 -1.619 -15.503 1.00 1.00 H new ATOM 0 HH12 ARG X 10 72.575 -2.801 -16.256 1.00 1.00 H new ATOM 0 HH21 ARG X 10 69.737 -0.784 -15.948 1.00 1.00 H new ATOM 0 HH22 ARG X 10 70.378 -2.332 -16.506 1.00 1.00 H new ATOM 162 N TYR X 11 77.011 0.826 -10.548 1.00 1.00 N ATOM 163 CA TYR X 11 78.343 1.255 -10.129 1.00 1.00 C ATOM 164 C TYR X 11 79.002 0.224 -9.215 1.00 1.00 C ATOM 165 O TYR X 11 80.130 -0.212 -9.458 1.00 1.00 O ATOM 166 CB TYR X 11 78.245 2.592 -9.391 1.00 1.00 C ATOM 167 CG TYR X 11 79.595 2.948 -8.818 1.00 1.00 C ATOM 168 CD1 TYR X 11 80.538 3.617 -9.607 1.00 1.00 C ATOM 169 CD2 TYR X 11 79.904 2.609 -7.495 1.00 1.00 C ATOM 170 CE1 TYR X 11 81.790 3.947 -9.074 1.00 1.00 C ATOM 171 CE2 TYR X 11 81.156 2.939 -6.962 1.00 1.00 C ATOM 172 CZ TYR X 11 82.099 3.608 -7.751 1.00 1.00 C ATOM 173 OH TYR X 11 83.332 3.937 -7.226 1.00 1.00 O ATOM 0 H TYR X 11 76.250 1.420 -10.219 1.00 1.00 H new ATOM 0 HA TYR X 11 78.956 1.362 -11.024 1.00 1.00 H new ATOM 0 HB2 TYR X 11 77.910 3.373 -10.073 1.00 1.00 H new ATOM 0 HB3 TYR X 11 77.505 2.526 -8.593 1.00 1.00 H new ATOM 0 HD1 TYR X 11 80.300 3.879 -10.627 1.00 1.00 H new ATOM 0 HD2 TYR X 11 79.177 2.093 -6.886 1.00 1.00 H new ATOM 0 HE1 TYR X 11 82.517 4.463 -9.683 1.00 1.00 H new ATOM 0 HE2 TYR X 11 81.394 2.677 -5.942 1.00 1.00 H new ATOM 0 HH TYR X 11 83.384 3.631 -6.296 1.00 1.00 H new ATOM 183 N VAL X 12 78.294 -0.158 -8.159 1.00 1.00 N ATOM 184 CA VAL X 12 78.823 -1.132 -7.213 1.00 1.00 C ATOM 185 C VAL X 12 79.041 -2.479 -7.896 1.00 1.00 C ATOM 186 O VAL X 12 80.059 -3.136 -7.682 1.00 1.00 O ATOM 187 CB VAL X 12 77.857 -1.300 -6.040 1.00 1.00 C ATOM 188 CG1 VAL X 12 76.595 -2.020 -6.506 1.00 1.00 C ATOM 189 CG2 VAL X 12 78.535 -2.105 -4.941 1.00 1.00 C ATOM 0 H VAL X 12 77.360 0.188 -7.937 1.00 1.00 H new ATOM 0 HA VAL X 12 79.781 -0.767 -6.842 1.00 1.00 H new ATOM 0 HB VAL X 12 77.581 -0.319 -5.654 1.00 1.00 H new ATOM 0 HG11 VAL X 12 75.911 -2.136 -5.665 1.00 1.00 H new ATOM 0 HG12 VAL X 12 76.111 -1.436 -7.289 1.00 1.00 H new ATOM 0 HG13 VAL X 12 76.860 -3.002 -6.897 1.00 1.00 H new ATOM 0 HG21 VAL X 12 77.849 -2.227 -4.103 1.00 1.00 H new ATOM 0 HG22 VAL X 12 78.813 -3.086 -5.327 1.00 1.00 H new ATOM 0 HG23 VAL X 12 79.429 -1.580 -4.605 1.00 1.00 H new ATOM 199 N GLU X 13 78.079 -2.882 -8.720 1.00 1.00 N ATOM 200 CA GLU X 13 78.178 -4.151 -9.431 1.00 1.00 C ATOM 201 C GLU X 13 79.427 -4.179 -10.307 1.00 1.00 C ATOM 202 O GLU X 13 80.081 -5.216 -10.442 1.00 1.00 O ATOM 203 CB GLU X 13 76.930 -4.366 -10.294 1.00 1.00 C ATOM 204 CG GLU X 13 75.788 -4.897 -9.423 1.00 1.00 C ATOM 205 CD GLU X 13 74.502 -4.973 -10.238 1.00 1.00 C ATOM 206 OE1 GLU X 13 74.566 -4.725 -11.431 1.00 1.00 O ATOM 207 OE2 GLU X 13 73.472 -5.276 -9.659 1.00 1.00 O ATOM 0 H GLU X 13 77.228 -2.353 -8.911 1.00 1.00 H new ATOM 0 HA GLU X 13 78.250 -4.954 -8.698 1.00 1.00 H new ATOM 0 HB2 GLU X 13 76.636 -3.428 -10.765 1.00 1.00 H new ATOM 0 HB3 GLU X 13 77.147 -5.071 -11.096 1.00 1.00 H new ATOM 0 HG2 GLU X 13 76.043 -5.884 -9.037 1.00 1.00 H new ATOM 0 HG3 GLU X 13 75.644 -4.246 -8.561 1.00 1.00 H new ATOM 214 N GLN X 14 79.758 -3.036 -10.891 1.00 1.00 N ATOM 215 CA GLN X 14 80.937 -2.947 -11.744 1.00 1.00 C ATOM 216 C GLN X 14 82.195 -3.235 -10.939 1.00 1.00 C ATOM 217 O GLN X 14 83.109 -3.908 -11.416 1.00 1.00 O ATOM 218 CB GLN X 14 81.027 -1.552 -12.368 1.00 1.00 C ATOM 219 CG GLN X 14 80.120 -1.478 -13.596 1.00 1.00 C ATOM 220 CD GLN X 14 80.745 -2.256 -14.747 1.00 1.00 C ATOM 221 OE1 GLN X 14 81.816 -1.890 -15.233 1.00 1.00 O ATOM 222 NE2 GLN X 14 80.142 -3.314 -15.215 1.00 1.00 N ATOM 0 H GLN X 14 79.234 -2.166 -10.792 1.00 1.00 H new ATOM 0 HA GLN X 14 80.850 -3.689 -12.538 1.00 1.00 H new ATOM 0 HB2 GLN X 14 80.731 -0.797 -11.639 1.00 1.00 H new ATOM 0 HB3 GLN X 14 82.057 -1.335 -12.651 1.00 1.00 H new ATOM 0 HG2 GLN X 14 79.138 -1.887 -13.359 1.00 1.00 H new ATOM 0 HG3 GLN X 14 79.970 -0.438 -13.887 1.00 1.00 H new ATOM 0 HE21 GLN X 14 79.255 -3.616 -14.812 1.00 1.00 H new ATOM 0 HE22 GLN X 14 80.557 -3.839 -15.984 1.00 1.00 H new ATOM 231 N LEU X 15 82.231 -2.732 -9.713 1.00 1.00 N ATOM 232 CA LEU X 15 83.380 -2.947 -8.845 1.00 1.00 C ATOM 233 C LEU X 15 83.551 -4.430 -8.567 1.00 1.00 C ATOM 234 O LEU X 15 84.665 -4.926 -8.509 1.00 1.00 O ATOM 235 CB LEU X 15 83.192 -2.210 -7.525 1.00 1.00 C ATOM 236 CG LEU X 15 83.251 -0.697 -7.776 1.00 1.00 C ATOM 237 CD1 LEU X 15 82.799 0.052 -6.522 1.00 1.00 C ATOM 238 CD2 LEU X 15 84.683 -0.269 -8.132 1.00 1.00 C ATOM 0 H LEU X 15 81.483 -2.176 -9.299 1.00 1.00 H new ATOM 0 HA LEU X 15 84.268 -2.564 -9.348 1.00 1.00 H new ATOM 0 HB2 LEU X 15 82.235 -2.479 -7.078 1.00 1.00 H new ATOM 0 HB3 LEU X 15 83.968 -2.503 -6.818 1.00 1.00 H new ATOM 0 HG LEU X 15 82.589 -0.456 -8.608 1.00 1.00 H new ATOM 0 HD11 LEU X 15 82.842 1.126 -6.704 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.776 -0.233 -6.277 1.00 1.00 H new ATOM 0 HD13 LEU X 15 83.456 -0.202 -5.690 1.00 1.00 H new ATOM 0 HD21 LEU X 15 84.708 0.807 -8.307 1.00 1.00 H new ATOM 0 HD22 LEU X 15 85.353 -0.519 -7.309 1.00 1.00 H new ATOM 0 HD23 LEU X 15 85.005 -0.791 -9.033 1.00 1.00 H new ATOM 250 N LYS X 16 82.440 -5.135 -8.386 1.00 1.00 N ATOM 251 CA LYS X 16 82.500 -6.561 -8.106 1.00 1.00 C ATOM 252 C LYS X 16 83.262 -7.295 -9.198 1.00 1.00 C ATOM 253 O LYS X 16 84.141 -8.106 -8.909 1.00 1.00 O ATOM 254 CB LYS X 16 81.080 -7.125 -8.024 1.00 1.00 C ATOM 255 CG LYS X 16 81.128 -8.625 -7.717 1.00 1.00 C ATOM 256 CD LYS X 16 79.706 -9.154 -7.559 1.00 1.00 C ATOM 257 CE LYS X 16 79.751 -10.650 -7.221 1.00 1.00 C ATOM 258 NZ LYS X 16 80.028 -11.431 -8.461 1.00 1.00 N ATOM 0 H LYS X 16 81.498 -4.746 -8.428 1.00 1.00 H new ATOM 0 HA LYS X 16 83.018 -6.704 -7.158 1.00 1.00 H new ATOM 0 HB2 LYS X 16 80.518 -6.605 -7.249 1.00 1.00 H new ATOM 0 HB3 LYS X 16 80.557 -6.955 -8.965 1.00 1.00 H new ATOM 0 HG2 LYS X 16 81.638 -9.156 -8.520 1.00 1.00 H new ATOM 0 HG3 LYS X 16 81.698 -8.803 -6.805 1.00 1.00 H new ATOM 0 HD2 LYS X 16 79.189 -8.608 -6.770 1.00 1.00 H new ATOM 0 HD3 LYS X 16 79.143 -8.995 -8.479 1.00 1.00 H new ATOM 0 HE2 LYS X 16 80.524 -10.843 -6.477 1.00 1.00 H new ATOM 0 HE3 LYS X 16 78.803 -10.964 -6.785 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 80.025 -12.447 -8.239 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 79.294 -11.229 -9.170 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 80.958 -11.162 -8.840 1.00 1.00 H new ATOM 272 N GLN X 17 82.915 -7.022 -10.451 1.00 1.00 N ATOM 273 CA GLN X 17 83.584 -7.686 -11.565 1.00 1.00 C ATOM 274 C GLN X 17 85.006 -7.155 -11.758 1.00 1.00 C ATOM 275 O GLN X 17 85.956 -7.924 -11.937 1.00 1.00 O ATOM 276 CB GLN X 17 82.784 -7.474 -12.849 1.00 1.00 C ATOM 277 CG GLN X 17 81.291 -7.600 -12.544 1.00 1.00 C ATOM 278 CD GLN X 17 80.495 -7.649 -13.845 1.00 1.00 C ATOM 279 OE1 GLN X 17 81.076 -7.636 -14.930 1.00 1.00 O ATOM 280 NE2 GLN X 17 79.192 -7.710 -13.800 1.00 1.00 N ATOM 0 H GLN X 17 82.188 -6.358 -10.719 1.00 1.00 H new ATOM 0 HA GLN X 17 83.644 -8.750 -11.335 1.00 1.00 H new ATOM 0 HB2 GLN X 17 82.999 -6.490 -13.266 1.00 1.00 H new ATOM 0 HB3 GLN X 17 83.077 -8.209 -13.598 1.00 1.00 H new ATOM 0 HG2 GLN X 17 81.105 -8.502 -11.960 1.00 1.00 H new ATOM 0 HG3 GLN X 17 80.962 -6.755 -11.939 1.00 1.00 H new ATOM 0 HE21 GLN X 17 78.713 -7.721 -12.900 1.00 1.00 H new ATOM 0 HE22 GLN X 17 78.653 -7.747 -14.665 1.00 1.00 H new ATOM 289 N ALA X 18 85.143 -5.835 -11.736 1.00 1.00 N ATOM 290 CA ALA X 18 86.449 -5.213 -11.924 1.00 1.00 C ATOM 291 C ALA X 18 87.434 -5.639 -10.840 1.00 1.00 C ATOM 292 O ALA X 18 88.542 -6.087 -11.136 1.00 1.00 O ATOM 293 CB ALA X 18 86.298 -3.690 -11.903 1.00 1.00 C ATOM 0 H ALA X 18 84.375 -5.180 -11.591 1.00 1.00 H new ATOM 0 HA ALA X 18 86.842 -5.540 -12.887 1.00 1.00 H new ATOM 0 HB1 ALA X 18 87.274 -3.226 -12.043 1.00 1.00 H new ATOM 0 HB2 ALA X 18 85.629 -3.380 -12.706 1.00 1.00 H new ATOM 0 HB3 ALA X 18 85.883 -3.379 -10.944 1.00 1.00 H new ATOM 299 N LEU X 19 87.022 -5.503 -9.588 1.00 1.00 N ATOM 300 CA LEU X 19 87.865 -5.876 -8.462 1.00 1.00 C ATOM 301 C LEU X 19 88.129 -7.374 -8.467 1.00 1.00 C ATOM 302 O LEU X 19 89.174 -7.827 -8.004 1.00 1.00 O ATOM 303 CB LEU X 19 87.198 -5.454 -7.142 1.00 1.00 C ATOM 304 CG LEU X 19 87.109 -3.929 -7.067 1.00 1.00 C ATOM 305 CD1 LEU X 19 86.271 -3.536 -5.849 1.00 1.00 C ATOM 306 CD2 LEU X 19 88.508 -3.307 -6.931 1.00 1.00 C ATOM 0 H LEU X 19 86.107 -5.136 -9.326 1.00 1.00 H new ATOM 0 HA LEU X 19 88.820 -5.359 -8.554 1.00 1.00 H new ATOM 0 HB2 LEU X 19 86.201 -5.889 -7.073 1.00 1.00 H new ATOM 0 HB3 LEU X 19 87.771 -5.835 -6.297 1.00 1.00 H new ATOM 0 HG LEU X 19 86.648 -3.561 -7.983 1.00 1.00 H new ATOM 0 HD11 LEU X 19 86.203 -2.450 -5.789 1.00 1.00 H new ATOM 0 HD12 LEU X 19 85.270 -3.957 -5.945 1.00 1.00 H new ATOM 0 HD13 LEU X 19 86.742 -3.921 -4.944 1.00 1.00 H new ATOM 0 HD21 LEU X 19 88.420 -2.222 -6.879 1.00 1.00 H new ATOM 0 HD22 LEU X 19 88.984 -3.676 -6.022 1.00 1.00 H new ATOM 0 HD23 LEU X 19 89.114 -3.581 -7.795 1.00 1.00 H new ATOM 318 N LYS X 20 87.183 -8.136 -8.996 1.00 1.00 N ATOM 319 CA LYS X 20 87.335 -9.583 -9.054 1.00 1.00 C ATOM 320 C LYS X 20 88.572 -9.972 -9.850 1.00 1.00 C ATOM 321 O LYS X 20 89.295 -10.895 -9.476 1.00 1.00 O ATOM 322 CB LYS X 20 86.095 -10.211 -9.687 1.00 1.00 C ATOM 323 CG LYS X 20 85.210 -10.815 -8.596 1.00 1.00 C ATOM 324 CD LYS X 20 83.903 -11.309 -9.219 1.00 1.00 C ATOM 325 CE LYS X 20 83.065 -12.021 -8.154 1.00 1.00 C ATOM 326 NZ LYS X 20 82.020 -12.849 -8.819 1.00 1.00 N ATOM 0 H LYS X 20 86.310 -7.782 -9.388 1.00 1.00 H new ATOM 0 HA LYS X 20 87.452 -9.954 -8.036 1.00 1.00 H new ATOM 0 HB2 LYS X 20 85.538 -9.458 -10.245 1.00 1.00 H new ATOM 0 HB3 LYS X 20 86.389 -10.982 -10.399 1.00 1.00 H new ATOM 0 HG2 LYS X 20 85.728 -11.640 -8.108 1.00 1.00 H new ATOM 0 HG3 LYS X 20 85.001 -10.070 -7.828 1.00 1.00 H new ATOM 0 HD2 LYS X 20 83.346 -10.469 -9.634 1.00 1.00 H new ATOM 0 HD3 LYS X 20 84.115 -11.989 -10.044 1.00 1.00 H new ATOM 0 HE2 LYS X 20 83.703 -12.650 -7.534 1.00 1.00 H new ATOM 0 HE3 LYS X 20 82.599 -11.290 -7.493 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 81.301 -13.127 -8.121 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 81.571 -12.298 -9.578 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 82.458 -13.702 -9.223 1.00 1.00 H new ATOM 340 N THR X 21 88.812 -9.264 -10.942 1.00 1.00 N ATOM 341 CA THR X 21 89.969 -9.544 -11.780 1.00 1.00 C ATOM 342 C THR X 21 91.259 -9.187 -11.046 1.00 1.00 C ATOM 343 O THR X 21 92.354 -9.535 -11.489 1.00 1.00 O ATOM 344 CB THR X 21 89.881 -8.747 -13.082 1.00 1.00 C ATOM 345 OG1 THR X 21 89.820 -7.360 -12.782 1.00 1.00 O ATOM 346 CG2 THR X 21 88.627 -9.162 -13.850 1.00 1.00 C ATOM 0 H THR X 21 88.226 -8.496 -11.268 1.00 1.00 H new ATOM 0 HA THR X 21 89.977 -10.609 -12.010 1.00 1.00 H new ATOM 0 HB THR X 21 90.761 -8.947 -13.693 1.00 1.00 H new ATOM 0 HG1 THR X 21 88.918 -7.131 -12.474 1.00 1.00 H new ATOM 0 HG21 THR X 21 88.564 -8.594 -14.778 1.00 1.00 H new ATOM 0 HG22 THR X 21 88.676 -10.227 -14.079 1.00 1.00 H new ATOM 0 HG23 THR X 21 87.745 -8.962 -13.242 1.00 1.00 H new ATOM 354 N ARG X 22 91.123 -8.477 -9.928 1.00 1.00 N ATOM 355 CA ARG X 22 92.287 -8.070 -9.152 1.00 1.00 C ATOM 356 C ARG X 22 92.583 -9.082 -8.047 1.00 1.00 C ATOM 357 O ARG X 22 93.640 -9.027 -7.419 1.00 1.00 O ATOM 358 CB ARG X 22 92.039 -6.699 -8.526 1.00 1.00 C ATOM 359 CG ARG X 22 91.581 -5.728 -9.614 1.00 1.00 C ATOM 360 CD ARG X 22 91.499 -4.316 -9.038 1.00 1.00 C ATOM 361 NE ARG X 22 90.848 -3.420 -9.987 1.00 1.00 N ATOM 362 CZ ARG X 22 91.438 -3.077 -11.128 1.00 1.00 C ATOM 363 NH1 ARG X 22 92.621 -3.547 -11.418 1.00 1.00 N ATOM 364 NH2 ARG X 22 90.835 -2.271 -11.959 1.00 1.00 N ATOM 0 H ARG X 22 90.227 -8.175 -9.544 1.00 1.00 H new ATOM 0 HA ARG X 22 93.144 -8.020 -9.823 1.00 1.00 H new ATOM 0 HB2 ARG X 22 91.282 -6.773 -7.745 1.00 1.00 H new ATOM 0 HB3 ARG X 22 92.950 -6.331 -8.053 1.00 1.00 H new ATOM 0 HG2 ARG X 22 92.278 -5.750 -10.452 1.00 1.00 H new ATOM 0 HG3 ARG X 22 90.608 -6.031 -10.000 1.00 1.00 H new ATOM 0 HD2 ARG X 22 90.943 -4.330 -8.100 1.00 1.00 H new ATOM 0 HD3 ARG X 22 92.500 -3.950 -8.810 1.00 1.00 H new ATOM 0 HE ARG X 22 89.922 -3.049 -9.771 1.00 1.00 H new ATOM 0 HH11 ARG X 22 93.092 -4.177 -10.769 1.00 1.00 H new ATOM 0 HH12 ARG X 22 93.074 -3.284 -12.293 1.00 1.00 H new ATOM 0 HH21 ARG X 22 89.911 -1.904 -11.733 1.00 1.00 H new ATOM 0 HH22 ARG X 22 91.288 -2.008 -12.834 1.00 1.00 H new ATOM 378 N GLY X 23 91.648 -10.002 -7.816 1.00 1.00 N ATOM 379 CA GLY X 23 91.828 -11.012 -6.776 1.00 1.00 C ATOM 380 C GLY X 23 90.904 -10.761 -5.590 1.00 1.00 C ATOM 381 O GLY X 23 91.180 -11.199 -4.475 1.00 1.00 O ATOM 0 H GLY X 23 90.768 -10.069 -8.328 1.00 1.00 H new ATOM 0 HA2 GLY X 23 91.631 -12.001 -7.189 1.00 1.00 H new ATOM 0 HA3 GLY X 23 92.864 -11.008 -6.439 1.00 1.00 H new ATOM 385 N VAL X 24 89.810 -10.049 -5.838 1.00 1.00 N ATOM 386 CA VAL X 24 88.854 -9.743 -4.780 1.00 1.00 C ATOM 387 C VAL X 24 87.615 -10.630 -4.887 1.00 1.00 C ATOM 388 O VAL X 24 87.052 -10.797 -5.964 1.00 1.00 O ATOM 389 CB VAL X 24 88.431 -8.280 -4.873 1.00 1.00 C ATOM 390 CG1 VAL X 24 87.186 -8.052 -4.019 1.00 1.00 C ATOM 391 CG2 VAL X 24 89.563 -7.389 -4.365 1.00 1.00 C ATOM 0 H VAL X 24 89.564 -9.675 -6.755 1.00 1.00 H new ATOM 0 HA VAL X 24 89.338 -9.931 -3.822 1.00 1.00 H new ATOM 0 HB VAL X 24 88.210 -8.033 -5.911 1.00 1.00 H new ATOM 0 HG11 VAL X 24 86.885 -7.007 -4.086 1.00 1.00 H new ATOM 0 HG12 VAL X 24 86.376 -8.687 -4.379 1.00 1.00 H new ATOM 0 HG13 VAL X 24 87.407 -8.300 -2.981 1.00 1.00 H new ATOM 0 HG21 VAL X 24 89.261 -6.344 -4.431 1.00 1.00 H new ATOM 0 HG22 VAL X 24 89.784 -7.638 -3.327 1.00 1.00 H new ATOM 0 HG23 VAL X 24 90.453 -7.549 -4.974 1.00 1.00 H new ATOM 401 N LYS X 25 87.199 -11.196 -3.758 1.00 1.00 N ATOM 402 CA LYS X 25 86.024 -12.064 -3.738 1.00 1.00 C ATOM 403 C LYS X 25 84.923 -11.445 -2.888 1.00 1.00 C ATOM 404 O LYS X 25 84.748 -11.803 -1.727 1.00 1.00 O ATOM 405 CB LYS X 25 86.399 -13.434 -3.169 1.00 1.00 C ATOM 406 CG LYS X 25 85.321 -14.454 -3.545 1.00 1.00 C ATOM 407 CD LYS X 25 85.766 -15.851 -3.104 1.00 1.00 C ATOM 408 CE LYS X 25 86.604 -16.504 -4.209 1.00 1.00 C ATOM 409 NZ LYS X 25 86.927 -17.904 -3.824 1.00 1.00 N ATOM 0 H LYS X 25 87.652 -11.072 -2.853 1.00 1.00 H new ATOM 0 HA LYS X 25 85.661 -12.181 -4.759 1.00 1.00 H new ATOM 0 HB2 LYS X 25 87.366 -13.750 -3.560 1.00 1.00 H new ATOM 0 HB3 LYS X 25 86.497 -13.375 -2.085 1.00 1.00 H new ATOM 0 HG2 LYS X 25 84.376 -14.194 -3.068 1.00 1.00 H new ATOM 0 HG3 LYS X 25 85.149 -14.438 -4.621 1.00 1.00 H new ATOM 0 HD2 LYS X 25 86.349 -15.784 -2.185 1.00 1.00 H new ATOM 0 HD3 LYS X 25 84.894 -16.467 -2.884 1.00 1.00 H new ATOM 0 HE2 LYS X 25 86.056 -16.492 -5.151 1.00 1.00 H new ATOM 0 HE3 LYS X 25 87.522 -15.938 -4.367 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 87.496 -18.348 -4.573 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 87.466 -17.904 -2.935 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 86.046 -18.441 -3.695 1.00 1.00 H new ATOM 423 N VAL X 26 84.183 -10.514 -3.478 1.00 1.00 N ATOM 424 CA VAL X 26 83.100 -9.838 -2.766 1.00 1.00 C ATOM 425 C VAL X 26 81.771 -10.016 -3.492 1.00 1.00 C ATOM 426 O VAL X 26 81.693 -9.843 -4.707 1.00 1.00 O ATOM 427 CB VAL X 26 83.414 -8.346 -2.651 1.00 1.00 C ATOM 428 CG1 VAL X 26 84.701 -8.154 -1.851 1.00 1.00 C ATOM 429 CG2 VAL X 26 83.586 -7.749 -4.051 1.00 1.00 C ATOM 0 H VAL X 26 84.310 -10.209 -4.443 1.00 1.00 H new ATOM 0 HA VAL X 26 83.017 -10.281 -1.774 1.00 1.00 H new ATOM 0 HB VAL X 26 82.593 -7.842 -2.141 1.00 1.00 H new ATOM 0 HG11 VAL X 26 84.924 -7.090 -1.770 1.00 1.00 H new ATOM 0 HG12 VAL X 26 84.576 -8.576 -0.854 1.00 1.00 H new ATOM 0 HG13 VAL X 26 85.523 -8.659 -2.358 1.00 1.00 H new ATOM 0 HG21 VAL X 26 83.810 -6.685 -3.968 1.00 1.00 H new ATOM 0 HG22 VAL X 26 84.405 -8.253 -4.563 1.00 1.00 H new ATOM 0 HG23 VAL X 26 82.665 -7.883 -4.619 1.00 1.00 H new ATOM 439 N LYS X 27 80.726 -10.367 -2.743 1.00 1.00 N ATOM 440 CA LYS X 27 79.413 -10.565 -3.331 1.00 1.00 C ATOM 441 C LYS X 27 78.771 -9.218 -3.664 1.00 1.00 C ATOM 442 O LYS X 27 79.073 -8.204 -3.037 1.00 1.00 O ATOM 443 CB LYS X 27 78.525 -11.311 -2.337 1.00 1.00 C ATOM 444 CG LYS X 27 79.177 -12.648 -1.982 1.00 1.00 C ATOM 445 CD LYS X 27 78.347 -13.345 -0.908 1.00 1.00 C ATOM 446 CE LYS X 27 79.018 -14.664 -0.528 1.00 1.00 C ATOM 447 NZ LYS X 27 78.143 -15.416 0.422 1.00 1.00 N ATOM 0 H LYS X 27 80.768 -10.518 -1.735 1.00 1.00 H new ATOM 0 HA LYS X 27 79.519 -11.144 -4.248 1.00 1.00 H new ATOM 0 HB2 LYS X 27 78.383 -10.712 -1.437 1.00 1.00 H new ATOM 0 HB3 LYS X 27 77.538 -11.478 -2.768 1.00 1.00 H new ATOM 0 HG2 LYS X 27 79.248 -13.278 -2.869 1.00 1.00 H new ATOM 0 HG3 LYS X 27 80.194 -12.486 -1.624 1.00 1.00 H new ATOM 0 HD2 LYS X 27 78.255 -12.705 -0.031 1.00 1.00 H new ATOM 0 HD3 LYS X 27 77.337 -13.530 -1.275 1.00 1.00 H new ATOM 0 HE2 LYS X 27 79.200 -15.262 -1.421 1.00 1.00 H new ATOM 0 HE3 LYS X 27 79.988 -14.471 -0.070 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 78.601 -16.313 0.680 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 77.991 -14.846 1.279 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 77.227 -15.612 -0.030 1.00 1.00 H new ATOM 461 N TYR X 28 77.882 -9.218 -4.649 1.00 1.00 N ATOM 462 CA TYR X 28 77.198 -7.991 -5.050 1.00 1.00 C ATOM 463 C TYR X 28 76.379 -7.424 -3.898 1.00 1.00 C ATOM 464 O TYR X 28 76.429 -6.229 -3.612 1.00 1.00 O ATOM 465 CB TYR X 28 76.283 -8.279 -6.237 1.00 1.00 C ATOM 466 CG TYR X 28 75.162 -7.266 -6.268 1.00 1.00 C ATOM 467 CD1 TYR X 28 75.450 -5.897 -6.224 1.00 1.00 C ATOM 468 CD2 TYR X 28 73.832 -7.700 -6.336 1.00 1.00 C ATOM 469 CE1 TYR X 28 74.409 -4.961 -6.249 1.00 1.00 C ATOM 470 CE2 TYR X 28 72.791 -6.764 -6.360 1.00 1.00 C ATOM 471 CZ TYR X 28 73.079 -5.395 -6.316 1.00 1.00 C ATOM 472 OH TYR X 28 72.052 -4.474 -6.343 1.00 1.00 O ATOM 0 H TYR X 28 77.618 -10.046 -5.183 1.00 1.00 H new ATOM 0 HA TYR X 28 77.949 -7.254 -5.334 1.00 1.00 H new ATOM 0 HB2 TYR X 28 76.851 -8.237 -7.166 1.00 1.00 H new ATOM 0 HB3 TYR X 28 75.875 -9.287 -6.159 1.00 1.00 H new ATOM 0 HD1 TYR X 28 76.476 -5.563 -6.171 1.00 1.00 H new ATOM 0 HD2 TYR X 28 73.610 -8.756 -6.370 1.00 1.00 H new ATOM 0 HE1 TYR X 28 74.632 -3.905 -6.217 1.00 1.00 H new ATOM 0 HE2 TYR X 28 71.765 -7.098 -6.412 1.00 1.00 H new ATOM 0 HH TYR X 28 71.193 -4.943 -6.391 1.00 1.00 H new ATOM 482 N ALA X 29 75.623 -8.294 -3.246 1.00 1.00 N ATOM 483 CA ALA X 29 74.790 -7.880 -2.122 1.00 1.00 C ATOM 484 C ALA X 29 75.651 -7.348 -0.980 1.00 1.00 C ATOM 485 O ALA X 29 75.257 -6.423 -0.273 1.00 1.00 O ATOM 486 CB ALA X 29 73.953 -9.058 -1.620 1.00 1.00 C ATOM 0 H ALA X 29 75.567 -9.287 -3.473 1.00 1.00 H new ATOM 0 HA ALA X 29 74.128 -7.086 -2.467 1.00 1.00 H new ATOM 0 HB1 ALA X 29 73.336 -8.735 -0.781 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.312 -9.418 -2.425 1.00 1.00 H new ATOM 0 HB3 ALA X 29 74.614 -9.862 -1.296 1.00 1.00 H new ATOM 492 N ASP X 30 76.822 -7.947 -0.796 1.00 1.00 N ATOM 493 CA ASP X 30 77.721 -7.522 0.274 1.00 1.00 C ATOM 494 C ASP X 30 78.096 -6.052 0.120 1.00 1.00 C ATOM 495 O ASP X 30 77.953 -5.263 1.054 1.00 1.00 O ATOM 496 CB ASP X 30 78.991 -8.380 0.252 1.00 1.00 C ATOM 497 CG ASP X 30 79.982 -7.879 1.298 1.00 1.00 C ATOM 498 OD1 ASP X 30 79.626 -6.976 2.038 1.00 1.00 O ATOM 499 OD2 ASP X 30 81.084 -8.402 1.340 1.00 1.00 O ATOM 0 H ASP X 30 77.169 -8.719 -1.365 1.00 1.00 H new ATOM 0 HA ASP X 30 77.206 -7.649 1.226 1.00 1.00 H new ATOM 0 HB2 ASP X 30 78.738 -9.422 0.449 1.00 1.00 H new ATOM 0 HB3 ASP X 30 79.446 -8.344 -0.738 1.00 1.00 H new ATOM 504 N LEU X 31 78.572 -5.690 -1.061 1.00 1.00 N ATOM 505 CA LEU X 31 78.957 -4.314 -1.329 1.00 1.00 C ATOM 506 C LEU X 31 77.742 -3.404 -1.299 1.00 1.00 C ATOM 507 O LEU X 31 77.806 -2.296 -0.781 1.00 1.00 O ATOM 508 CB LEU X 31 79.644 -4.206 -2.694 1.00 1.00 C ATOM 509 CG LEU X 31 80.986 -4.942 -2.661 1.00 1.00 C ATOM 510 CD1 LEU X 31 81.603 -4.940 -4.059 1.00 1.00 C ATOM 511 CD2 LEU X 31 81.941 -4.251 -1.681 1.00 1.00 C ATOM 0 H LEU X 31 78.701 -6.328 -1.847 1.00 1.00 H new ATOM 0 HA LEU X 31 79.654 -4.001 -0.552 1.00 1.00 H new ATOM 0 HB2 LEU X 31 79.005 -4.632 -3.467 1.00 1.00 H new ATOM 0 HB3 LEU X 31 79.800 -3.158 -2.951 1.00 1.00 H new ATOM 0 HG LEU X 31 80.821 -5.969 -2.334 1.00 1.00 H new ATOM 0 HD11 LEU X 31 82.559 -5.464 -4.036 1.00 1.00 H new ATOM 0 HD12 LEU X 31 80.930 -5.442 -4.754 1.00 1.00 H new ATOM 0 HD13 LEU X 31 81.761 -3.912 -4.386 1.00 1.00 H new ATOM 0 HD21 LEU X 31 82.893 -4.782 -1.665 1.00 1.00 H new ATOM 0 HD22 LEU X 31 82.105 -3.221 -1.998 1.00 1.00 H new ATOM 0 HD23 LEU X 31 81.505 -4.258 -0.682 1.00 1.00 H new ATOM 523 N LEU X 32 76.642 -3.870 -1.870 1.00 1.00 N ATOM 524 CA LEU X 32 75.432 -3.062 -1.912 1.00 1.00 C ATOM 525 C LEU X 32 74.954 -2.736 -0.499 1.00 1.00 C ATOM 526 O LEU X 32 74.620 -1.589 -0.192 1.00 1.00 O ATOM 527 CB LEU X 32 74.335 -3.824 -2.677 1.00 1.00 C ATOM 528 CG LEU X 32 73.044 -2.997 -2.721 1.00 1.00 C ATOM 529 CD1 LEU X 32 73.321 -1.655 -3.397 1.00 1.00 C ATOM 530 CD2 LEU X 32 71.979 -3.752 -3.519 1.00 1.00 C ATOM 0 H LEU X 32 76.561 -4.789 -2.305 1.00 1.00 H new ATOM 0 HA LEU X 32 75.650 -2.125 -2.424 1.00 1.00 H new ATOM 0 HB2 LEU X 32 74.672 -4.039 -3.691 1.00 1.00 H new ATOM 0 HB3 LEU X 32 74.145 -4.783 -2.194 1.00 1.00 H new ATOM 0 HG LEU X 32 72.689 -2.829 -1.704 1.00 1.00 H new ATOM 0 HD11 LEU X 32 72.404 -1.067 -3.428 1.00 1.00 H new ATOM 0 HD12 LEU X 32 74.080 -1.113 -2.833 1.00 1.00 H new ATOM 0 HD13 LEU X 32 73.677 -1.826 -4.413 1.00 1.00 H new ATOM 0 HD21 LEU X 32 71.062 -3.163 -3.550 1.00 1.00 H new ATOM 0 HD22 LEU X 32 72.337 -3.920 -4.535 1.00 1.00 H new ATOM 0 HD23 LEU X 32 71.779 -4.711 -3.042 1.00 1.00 H new ATOM 542 N LYS X 33 74.928 -3.746 0.357 1.00 1.00 N ATOM 543 CA LYS X 33 74.497 -3.553 1.734 1.00 1.00 C ATOM 544 C LYS X 33 75.529 -2.733 2.494 1.00 1.00 C ATOM 545 O LYS X 33 75.184 -1.844 3.276 1.00 1.00 O ATOM 546 CB LYS X 33 74.297 -4.910 2.409 1.00 1.00 C ATOM 547 CG LYS X 33 73.119 -5.634 1.751 1.00 1.00 C ATOM 548 CD LYS X 33 73.038 -7.064 2.286 1.00 1.00 C ATOM 549 CE LYS X 33 71.968 -7.837 1.516 1.00 1.00 C ATOM 550 NZ LYS X 33 70.618 -7.317 1.874 1.00 1.00 N ATOM 0 H LYS X 33 75.198 -4.702 0.125 1.00 1.00 H new ATOM 0 HA LYS X 33 73.550 -3.013 1.739 1.00 1.00 H new ATOM 0 HB2 LYS X 33 75.203 -5.510 2.321 1.00 1.00 H new ATOM 0 HB3 LYS X 33 74.107 -4.775 3.474 1.00 1.00 H new ATOM 0 HG2 LYS X 33 72.190 -5.103 1.959 1.00 1.00 H new ATOM 0 HG3 LYS X 33 73.244 -5.646 0.668 1.00 1.00 H new ATOM 0 HD2 LYS X 33 74.004 -7.558 2.182 1.00 1.00 H new ATOM 0 HD3 LYS X 33 72.799 -7.053 3.349 1.00 1.00 H new ATOM 0 HE2 LYS X 33 72.134 -7.737 0.443 1.00 1.00 H new ATOM 0 HE3 LYS X 33 72.033 -8.899 1.751 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 69.889 -7.948 1.485 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 70.525 -7.277 2.909 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 70.497 -6.363 1.478 1.00 1.00 H new ATOM 564 N PHE X 34 76.805 -3.043 2.269 1.00 1.00 N ATOM 565 CA PHE X 34 77.865 -2.335 2.953 1.00 1.00 C ATOM 566 C PHE X 34 77.841 -0.840 2.615 1.00 1.00 C ATOM 567 O PHE X 34 77.950 0.018 3.497 1.00 1.00 O ATOM 568 CB PHE X 34 79.232 -2.924 2.570 1.00 1.00 C ATOM 569 CG PHE X 34 80.350 -2.004 3.047 1.00 1.00 C ATOM 570 CD1 PHE X 34 80.205 -1.260 4.225 1.00 1.00 C ATOM 571 CD2 PHE X 34 81.521 -1.893 2.289 1.00 1.00 C ATOM 572 CE1 PHE X 34 81.231 -0.406 4.643 1.00 1.00 C ATOM 573 CE2 PHE X 34 82.548 -1.038 2.708 1.00 1.00 C ATOM 574 CZ PHE X 34 82.402 -0.295 3.885 1.00 1.00 C ATOM 0 H PHE X 34 77.119 -3.770 1.626 1.00 1.00 H new ATOM 0 HA PHE X 34 77.705 -2.452 4.025 1.00 1.00 H new ATOM 0 HB2 PHE X 34 79.349 -3.912 3.015 1.00 1.00 H new ATOM 0 HB3 PHE X 34 79.292 -3.052 1.489 1.00 1.00 H new ATOM 0 HD1 PHE X 34 79.301 -1.346 4.810 1.00 1.00 H new ATOM 0 HD2 PHE X 34 81.633 -2.467 1.381 1.00 1.00 H new ATOM 0 HE1 PHE X 34 81.119 0.168 5.551 1.00 1.00 H new ATOM 0 HE2 PHE X 34 83.452 -0.952 2.123 1.00 1.00 H new ATOM 0 HZ PHE X 34 83.194 0.365 4.208 1.00 1.00 H new ATOM 584 N PHE X 35 77.691 -0.541 1.333 1.00 1.00 N ATOM 585 CA PHE X 35 77.668 0.843 0.873 1.00 1.00 C ATOM 586 C PHE X 35 76.566 1.589 1.620 1.00 1.00 C ATOM 587 O PHE X 35 76.733 2.738 2.024 1.00 1.00 O ATOM 588 CB PHE X 35 77.416 0.891 -0.635 1.00 1.00 C ATOM 589 CG PHE X 35 78.102 2.102 -1.223 1.00 1.00 C ATOM 590 CD1 PHE X 35 77.676 3.389 -0.876 1.00 1.00 C ATOM 591 CD2 PHE X 35 79.168 1.934 -2.115 1.00 1.00 C ATOM 592 CE1 PHE X 35 78.316 4.509 -1.421 1.00 1.00 C ATOM 593 CE2 PHE X 35 79.809 3.054 -2.659 1.00 1.00 C ATOM 594 CZ PHE X 35 79.383 4.341 -2.312 1.00 1.00 C ATOM 0 H PHE X 35 77.584 -1.235 0.593 1.00 1.00 H new ATOM 0 HA PHE X 35 78.629 1.316 1.073 1.00 1.00 H new ATOM 0 HB2 PHE X 35 77.792 -0.017 -1.106 1.00 1.00 H new ATOM 0 HB3 PHE X 35 76.345 0.934 -0.834 1.00 1.00 H new ATOM 0 HD1 PHE X 35 76.854 3.518 -0.188 1.00 1.00 H new ATOM 0 HD2 PHE X 35 79.496 0.941 -2.384 1.00 1.00 H new ATOM 0 HE1 PHE X 35 77.987 5.502 -1.154 1.00 1.00 H new ATOM 0 HE2 PHE X 35 80.632 2.924 -3.346 1.00 1.00 H new ATOM 0 HZ PHE X 35 79.877 5.205 -2.731 1.00 1.00 H new ATOM 604 N ASP X 36 75.436 0.924 1.805 1.00 1.00 N ATOM 605 CA ASP X 36 74.324 1.540 2.513 1.00 1.00 C ATOM 606 C ASP X 36 74.721 1.828 3.962 1.00 1.00 C ATOM 607 O ASP X 36 74.199 2.750 4.588 1.00 1.00 O ATOM 608 CB ASP X 36 73.105 0.614 2.486 1.00 1.00 C ATOM 609 CG ASP X 36 72.313 0.818 1.191 1.00 1.00 C ATOM 610 OD1 ASP X 36 72.665 1.715 0.443 1.00 1.00 O ATOM 611 OD2 ASP X 36 71.372 0.073 0.967 1.00 1.00 O ATOM 0 H ASP X 36 75.265 -0.028 1.480 1.00 1.00 H new ATOM 0 HA ASP X 36 74.070 2.478 2.018 1.00 1.00 H new ATOM 0 HB2 ASP X 36 73.427 -0.425 2.564 1.00 1.00 H new ATOM 0 HB3 ASP X 36 72.467 0.816 3.346 1.00 1.00 H new ATOM 616 N PHE X 37 75.643 1.025 4.496 1.00 1.00 N ATOM 617 CA PHE X 37 76.087 1.210 5.879 1.00 1.00 C ATOM 618 C PHE X 37 76.764 2.570 6.066 1.00 1.00 C ATOM 619 O PHE X 37 76.386 3.361 6.944 1.00 1.00 O ATOM 620 CB PHE X 37 77.091 0.103 6.232 1.00 1.00 C ATOM 621 CG PHE X 37 77.213 -0.018 7.728 1.00 1.00 C ATOM 622 CD1 PHE X 37 77.870 0.978 8.459 1.00 1.00 C ATOM 623 CD2 PHE X 37 76.659 -1.121 8.389 1.00 1.00 C ATOM 624 CE1 PHE X 37 77.972 0.872 9.852 1.00 1.00 C ATOM 625 CE2 PHE X 37 76.762 -1.227 9.782 1.00 1.00 C ATOM 626 CZ PHE X 37 77.419 -0.230 10.513 1.00 1.00 C ATOM 0 H PHE X 37 76.091 0.253 4.002 1.00 1.00 H new ATOM 0 HA PHE X 37 75.215 1.165 6.531 1.00 1.00 H new ATOM 0 HB2 PHE X 37 76.764 -0.846 5.807 1.00 1.00 H new ATOM 0 HB3 PHE X 37 78.064 0.329 5.796 1.00 1.00 H new ATOM 0 HD1 PHE X 37 78.298 1.828 7.949 1.00 1.00 H new ATOM 0 HD2 PHE X 37 76.152 -1.890 7.825 1.00 1.00 H new ATOM 0 HE1 PHE X 37 78.478 1.642 10.416 1.00 1.00 H new ATOM 0 HE2 PHE X 37 76.335 -2.078 10.292 1.00 1.00 H new ATOM 0 HZ PHE X 37 77.499 -0.312 11.587 1.00 1.00 H new ATOM 636 N VAL X 38 77.758 2.847 5.229 1.00 1.00 N ATOM 637 CA VAL X 38 78.472 4.122 5.313 1.00 1.00 C ATOM 638 C VAL X 38 77.521 5.272 5.036 1.00 1.00 C ATOM 639 O VAL X 38 77.710 6.372 5.526 1.00 1.00 O ATOM 640 CB VAL X 38 79.645 4.153 4.325 1.00 1.00 C ATOM 641 CG1 VAL X 38 79.135 3.935 2.897 1.00 1.00 C ATOM 642 CG2 VAL X 38 80.370 5.508 4.417 1.00 1.00 C ATOM 0 H VAL X 38 78.086 2.219 4.495 1.00 1.00 H new ATOM 0 HA VAL X 38 78.871 4.228 6.322 1.00 1.00 H new ATOM 0 HB VAL X 38 80.342 3.355 4.579 1.00 1.00 H new ATOM 0 HG11 VAL X 38 79.975 3.959 2.203 1.00 1.00 H new ATOM 0 HG12 VAL X 38 78.638 2.967 2.832 1.00 1.00 H new ATOM 0 HG13 VAL X 38 78.429 4.724 2.639 1.00 1.00 H new ATOM 0 HG21 VAL X 38 81.202 5.524 3.713 1.00 1.00 H new ATOM 0 HG22 VAL X 38 79.674 6.311 4.174 1.00 1.00 H new ATOM 0 HG23 VAL X 38 80.748 5.650 5.429 1.00 1.00 H new ATOM 652 N LYS X 39 76.495 5.003 4.245 1.00 1.00 N ATOM 653 CA LYS X 39 75.511 6.031 3.918 1.00 1.00 C ATOM 654 C LYS X 39 74.722 6.439 5.155 1.00 1.00 C ATOM 655 O LYS X 39 74.440 7.621 5.363 1.00 1.00 O ATOM 656 CB LYS X 39 74.554 5.536 2.838 1.00 1.00 C ATOM 657 CG LYS X 39 75.169 5.754 1.450 1.00 1.00 C ATOM 658 CD LYS X 39 74.204 5.249 0.375 1.00 1.00 C ATOM 659 CE LYS X 39 74.717 5.660 -1.007 1.00 1.00 C ATOM 660 NZ LYS X 39 73.764 5.196 -2.052 1.00 1.00 N ATOM 0 H LYS X 39 76.320 4.093 3.820 1.00 1.00 H new ATOM 0 HA LYS X 39 76.050 6.901 3.543 1.00 1.00 H new ATOM 0 HB2 LYS X 39 74.340 4.478 2.988 1.00 1.00 H new ATOM 0 HB3 LYS X 39 73.605 6.066 2.911 1.00 1.00 H new ATOM 0 HG2 LYS X 39 75.379 6.813 1.296 1.00 1.00 H new ATOM 0 HG3 LYS X 39 76.120 5.227 1.376 1.00 1.00 H new ATOM 0 HD2 LYS X 39 74.114 4.164 0.433 1.00 1.00 H new ATOM 0 HD3 LYS X 39 73.209 5.661 0.542 1.00 1.00 H new ATOM 0 HE2 LYS X 39 74.828 6.743 -1.057 1.00 1.00 H new ATOM 0 HE3 LYS X 39 75.703 5.230 -1.183 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 74.114 5.476 -2.990 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 73.679 4.160 -2.009 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 72.832 5.627 -1.888 1.00 1.00 H new ATOM 674 N ASP X 40 74.360 5.452 5.966 1.00 1.00 N ATOM 675 CA ASP X 40 73.591 5.716 7.176 1.00 1.00 C ATOM 676 C ASP X 40 74.336 6.701 8.064 1.00 1.00 C ATOM 677 O ASP X 40 73.763 7.687 8.527 1.00 1.00 O ATOM 678 CB ASP X 40 73.368 4.409 7.941 1.00 1.00 C ATOM 679 CG ASP X 40 72.382 3.524 7.189 1.00 1.00 C ATOM 680 OD1 ASP X 40 71.705 4.033 6.311 1.00 1.00 O ATOM 681 OD2 ASP X 40 72.321 2.345 7.498 1.00 1.00 O ATOM 0 H ASP X 40 74.584 4.469 5.810 1.00 1.00 H new ATOM 0 HA ASP X 40 72.628 6.144 6.896 1.00 1.00 H new ATOM 0 HB2 ASP X 40 74.316 3.886 8.066 1.00 1.00 H new ATOM 0 HB3 ASP X 40 72.988 4.623 8.940 1.00 1.00 H new ATOM 686 N THR X 41 75.620 6.438 8.290 1.00 1.00 N ATOM 687 CA THR X 41 76.424 7.332 9.122 1.00 1.00 C ATOM 688 C THR X 41 77.165 8.343 8.254 1.00 1.00 C ATOM 689 O THR X 41 77.047 9.551 8.449 1.00 1.00 O ATOM 690 CB THR X 41 77.423 6.521 9.953 1.00 1.00 C ATOM 691 OG1 THR X 41 78.112 5.615 9.105 1.00 1.00 O ATOM 692 CG2 THR X 41 76.671 5.746 11.036 1.00 1.00 C ATOM 0 H THR X 41 76.120 5.630 7.918 1.00 1.00 H new ATOM 0 HA THR X 41 75.759 7.872 9.796 1.00 1.00 H new ATOM 0 HB THR X 41 78.141 7.192 10.424 1.00 1.00 H new ATOM 0 HG1 THR X 41 78.753 5.096 9.633 1.00 1.00 H new ATOM 0 HG21 THR X 41 77.380 5.168 11.629 1.00 1.00 H new ATOM 0 HG22 THR X 41 76.142 6.446 11.683 1.00 1.00 H new ATOM 0 HG23 THR X 41 75.954 5.071 10.569 1.00 1.00 H new ATOM 700 N CYS X 42 77.934 7.841 7.299 1.00 1.00 N ATOM 701 CA CYS X 42 78.697 8.699 6.408 1.00 1.00 C ATOM 702 C CYS X 42 79.409 9.798 7.187 1.00 1.00 C ATOM 703 O CYS X 42 79.158 10.985 6.972 1.00 1.00 O ATOM 704 CB CYS X 42 77.770 9.325 5.365 1.00 1.00 C ATOM 705 SG CYS X 42 78.694 10.528 4.375 1.00 1.00 S ATOM 0 H CYS X 42 78.045 6.843 7.122 1.00 1.00 H new ATOM 0 HA CYS X 42 79.448 8.088 5.908 1.00 1.00 H new ATOM 0 HB2 CYS X 42 77.356 8.550 4.720 1.00 1.00 H new ATOM 0 HB3 CYS X 42 76.929 9.813 5.857 1.00 1.00 H new ATOM 0 HG CYS X 42 79.237 11.411 5.160 1.00 1.00 H new ATOM 711 N PRO X 43 80.290 9.423 8.080 1.00 1.00 N ATOM 712 CA PRO X 43 81.061 10.396 8.903 1.00 1.00 C ATOM 713 C PRO X 43 82.011 11.224 8.034 1.00 1.00 C ATOM 714 O PRO X 43 82.303 12.380 8.337 1.00 1.00 O ATOM 715 CB PRO X 43 81.850 9.517 9.882 1.00 1.00 C ATOM 716 CG PRO X 43 81.210 8.174 9.821 1.00 1.00 C ATOM 717 CD PRO X 43 80.657 8.042 8.414 1.00 1.00 C ATOM 0 HA PRO X 43 80.415 11.114 9.408 1.00 1.00 H new ATOM 0 HB2 PRO X 43 82.902 9.463 9.600 1.00 1.00 H new ATOM 0 HB3 PRO X 43 81.811 9.924 10.892 1.00 1.00 H new ATOM 0 HG2 PRO X 43 81.933 7.386 10.032 1.00 1.00 H new ATOM 0 HG3 PRO X 43 80.416 8.085 10.563 1.00 1.00 H new ATOM 0 HD2 PRO X 43 81.399 7.642 7.723 1.00 1.00 H new ATOM 0 HD3 PRO X 43 79.796 7.374 8.378 1.00 1.00 H new ATOM 725 N TRP X 44 82.497 10.608 6.953 1.00 1.00 N ATOM 726 CA TRP X 44 83.411 11.271 6.041 1.00 1.00 C ATOM 727 C TRP X 44 83.208 10.756 4.621 1.00 1.00 C ATOM 728 O TRP X 44 82.360 9.898 4.370 1.00 1.00 O ATOM 729 CB TRP X 44 84.844 11.021 6.479 1.00 1.00 C ATOM 730 CG TRP X 44 84.923 9.684 7.120 1.00 1.00 C ATOM 731 CD1 TRP X 44 84.285 8.573 6.687 1.00 1.00 C ATOM 732 CD2 TRP X 44 85.679 9.289 8.301 1.00 1.00 C ATOM 733 NE1 TRP X 44 84.601 7.520 7.527 1.00 1.00 N ATOM 734 CE2 TRP X 44 85.457 7.911 8.538 1.00 1.00 C ATOM 735 CE3 TRP X 44 86.527 9.984 9.183 1.00 1.00 C ATOM 736 CZ2 TRP X 44 86.055 7.248 9.609 1.00 1.00 C ATOM 737 CZ3 TRP X 44 87.131 9.319 10.262 1.00 1.00 C ATOM 738 CH2 TRP X 44 86.896 7.953 10.475 1.00 1.00 C ATOM 0 H TRP X 44 82.267 9.648 6.694 1.00 1.00 H new ATOM 0 HA TRP X 44 83.210 12.342 6.058 1.00 1.00 H new ATOM 0 HB2 TRP X 44 85.514 11.068 5.621 1.00 1.00 H new ATOM 0 HB3 TRP X 44 85.165 11.794 7.177 1.00 1.00 H new ATOM 0 HD1 TRP X 44 83.635 8.517 5.826 1.00 1.00 H new ATOM 0 HE1 TRP X 44 84.245 6.571 7.414 1.00 1.00 H new ATOM 0 HE3 TRP X 44 86.715 11.036 9.029 1.00 1.00 H new ATOM 0 HZ2 TRP X 44 85.870 6.196 9.769 1.00 1.00 H new ATOM 0 HZ3 TRP X 44 87.781 9.863 10.932 1.00 1.00 H new ATOM 0 HH2 TRP X 44 87.364 7.447 11.306 1.00 1.00 H new ATOM 749 N PHE X 45 83.990 11.287 3.701 1.00 1.00 N ATOM 750 CA PHE X 45 83.907 10.902 2.296 1.00 1.00 C ATOM 751 C PHE X 45 84.885 11.728 1.463 1.00 1.00 C ATOM 752 O PHE X 45 85.598 11.188 0.615 1.00 1.00 O ATOM 753 CB PHE X 45 82.483 11.110 1.760 1.00 1.00 C ATOM 754 CG PHE X 45 81.994 9.837 1.135 1.00 1.00 C ATOM 755 CD1 PHE X 45 82.514 9.420 -0.096 1.00 1.00 C ATOM 756 CD2 PHE X 45 81.018 9.067 1.779 1.00 1.00 C ATOM 757 CE1 PHE X 45 82.058 8.233 -0.683 1.00 1.00 C ATOM 758 CE2 PHE X 45 80.563 7.880 1.193 1.00 1.00 C ATOM 759 CZ PHE X 45 81.083 7.463 -0.038 1.00 1.00 C ATOM 0 H PHE X 45 84.698 11.994 3.899 1.00 1.00 H new ATOM 0 HA PHE X 45 84.165 9.846 2.219 1.00 1.00 H new ATOM 0 HB2 PHE X 45 81.818 11.409 2.570 1.00 1.00 H new ATOM 0 HB3 PHE X 45 82.473 11.916 1.026 1.00 1.00 H new ATOM 0 HD1 PHE X 45 83.267 10.014 -0.593 1.00 1.00 H new ATOM 0 HD2 PHE X 45 80.616 9.389 2.728 1.00 1.00 H new ATOM 0 HE1 PHE X 45 82.459 7.912 -1.633 1.00 1.00 H new ATOM 0 HE2 PHE X 45 79.811 7.286 1.691 1.00 1.00 H new ATOM 0 HZ PHE X 45 80.732 6.547 -0.490 1.00 1.00 H new ATOM 769 N PRO X 46 84.928 13.021 1.684 1.00 1.00 N ATOM 770 CA PRO X 46 85.835 13.944 0.937 1.00 1.00 C ATOM 771 C PRO X 46 87.300 13.732 1.316 1.00 1.00 C ATOM 772 O PRO X 46 87.667 13.830 2.485 1.00 1.00 O ATOM 773 CB PRO X 46 85.356 15.345 1.357 1.00 1.00 C ATOM 774 CG PRO X 46 84.037 15.134 2.019 1.00 1.00 C ATOM 775 CD PRO X 46 84.120 13.762 2.661 1.00 1.00 C ATOM 0 HA PRO X 46 85.792 13.782 -0.140 1.00 1.00 H new ATOM 0 HB2 PRO X 46 86.066 15.815 2.038 1.00 1.00 H new ATOM 0 HB3 PRO X 46 85.261 16.002 0.493 1.00 1.00 H new ATOM 0 HG2 PRO X 46 83.845 15.905 2.765 1.00 1.00 H new ATOM 0 HG3 PRO X 46 83.223 15.180 1.296 1.00 1.00 H new ATOM 0 HD2 PRO X 46 84.595 13.798 3.641 1.00 1.00 H new ATOM 0 HD3 PRO X 46 83.135 13.315 2.800 1.00 1.00 H new ATOM 783 N GLN X 47 88.134 13.449 0.317 1.00 1.00 N ATOM 784 CA GLN X 47 89.556 13.235 0.564 1.00 1.00 C ATOM 785 C GLN X 47 90.368 13.597 -0.670 1.00 1.00 C ATOM 786 O GLN X 47 89.878 13.505 -1.796 1.00 1.00 O ATOM 787 CB GLN X 47 89.821 11.778 0.934 1.00 1.00 C ATOM 788 CG GLN X 47 89.124 11.448 2.253 1.00 1.00 C ATOM 789 CD GLN X 47 89.618 10.109 2.778 1.00 1.00 C ATOM 790 OE1 GLN X 47 90.807 9.953 3.058 1.00 1.00 O ATOM 791 NE2 GLN X 47 88.773 9.126 2.933 1.00 1.00 N ATOM 0 H GLN X 47 87.853 13.364 -0.660 1.00 1.00 H new ATOM 0 HA GLN X 47 89.856 13.875 1.394 1.00 1.00 H new ATOM 0 HB2 GLN X 47 89.457 11.120 0.145 1.00 1.00 H new ATOM 0 HB3 GLN X 47 90.893 11.605 1.025 1.00 1.00 H new ATOM 0 HG2 GLN X 47 89.322 12.231 2.985 1.00 1.00 H new ATOM 0 HG3 GLN X 47 88.044 11.415 2.106 1.00 1.00 H new ATOM 0 HE21 GLN X 47 87.789 9.258 2.700 1.00 1.00 H new ATOM 0 HE22 GLN X 47 89.097 8.226 3.287 1.00 1.00 H new ATOM 800 N GLU X 48 91.613 14.009 -0.457 1.00 1.00 N ATOM 801 CA GLU X 48 92.483 14.383 -1.569 1.00 1.00 C ATOM 802 C GLU X 48 93.929 14.003 -1.268 1.00 1.00 C ATOM 803 O GLU X 48 94.504 14.456 -0.278 1.00 1.00 O ATOM 804 CB GLU X 48 92.396 15.890 -1.825 1.00 1.00 C ATOM 805 CG GLU X 48 90.999 16.250 -2.339 1.00 1.00 C ATOM 806 CD GLU X 48 90.907 17.749 -2.608 1.00 1.00 C ATOM 807 OE1 GLU X 48 91.879 18.441 -2.352 1.00 1.00 O ATOM 808 OE2 GLU X 48 89.864 18.182 -3.067 1.00 1.00 O ATOM 0 H GLU X 48 92.040 14.092 0.465 1.00 1.00 H new ATOM 0 HA GLU X 48 92.151 13.845 -2.457 1.00 1.00 H new ATOM 0 HB2 GLU X 48 92.607 16.437 -0.906 1.00 1.00 H new ATOM 0 HB3 GLU X 48 93.150 16.188 -2.554 1.00 1.00 H new ATOM 0 HG2 GLU X 48 90.786 15.695 -3.253 1.00 1.00 H new ATOM 0 HG3 GLU X 48 90.247 15.958 -1.606 1.00 1.00 H new ATOM 815 N GLY X 49 94.510 13.175 -2.132 1.00 1.00 N ATOM 816 CA GLY X 49 95.893 12.743 -1.956 1.00 1.00 C ATOM 817 C GLY X 49 95.969 11.267 -1.571 1.00 1.00 C ATOM 818 O GLY X 49 96.259 10.413 -2.410 1.00 1.00 O ATOM 0 H GLY X 49 94.048 12.792 -2.956 1.00 1.00 H new ATOM 0 HA2 GLY X 49 96.448 12.909 -2.879 1.00 1.00 H new ATOM 0 HA3 GLY X 49 96.370 13.347 -1.184 1.00 1.00 H new ATOM 822 N THR X 50 95.717 10.975 -0.298 1.00 1.00 N ATOM 823 CA THR X 50 95.770 9.604 0.185 1.00 1.00 C ATOM 824 C THR X 50 94.514 8.845 -0.229 1.00 1.00 C ATOM 825 O THR X 50 93.513 9.444 -0.621 1.00 1.00 O ATOM 826 CB THR X 50 95.896 9.593 1.710 1.00 1.00 C ATOM 827 OG1 THR X 50 94.894 10.428 2.273 1.00 1.00 O ATOM 828 CG2 THR X 50 97.276 10.117 2.113 1.00 1.00 C ATOM 0 H THR X 50 95.476 11.667 0.412 1.00 1.00 H new ATOM 0 HA THR X 50 96.639 9.115 -0.254 1.00 1.00 H new ATOM 0 HB THR X 50 95.772 8.574 2.076 1.00 1.00 H new ATOM 0 HG1 THR X 50 94.973 10.420 3.250 1.00 1.00 H new ATOM 0 HG21 THR X 50 97.365 10.109 3.199 1.00 1.00 H new ATOM 0 HG22 THR X 50 98.048 9.480 1.681 1.00 1.00 H new ATOM 0 HG23 THR X 50 97.400 11.136 1.746 1.00 1.00 H new ATOM 836 N ILE X 51 94.579 7.525 -0.141 1.00 1.00 N ATOM 837 CA ILE X 51 93.444 6.687 -0.514 1.00 1.00 C ATOM 838 C ILE X 51 92.168 7.195 0.146 1.00 1.00 C ATOM 839 O ILE X 51 92.056 7.218 1.372 1.00 1.00 O ATOM 840 CB ILE X 51 93.704 5.239 -0.084 1.00 1.00 C ATOM 841 CG1 ILE X 51 94.873 4.655 -0.886 1.00 1.00 C ATOM 842 CG2 ILE X 51 92.447 4.399 -0.332 1.00 1.00 C ATOM 843 CD1 ILE X 51 95.605 3.616 -0.041 1.00 1.00 C ATOM 0 H ILE X 51 95.399 7.012 0.183 1.00 1.00 H new ATOM 0 HA ILE X 51 93.321 6.728 -1.596 1.00 1.00 H new ATOM 0 HB ILE X 51 93.954 5.222 0.977 1.00 1.00 H new ATOM 0 HG12 ILE X 51 94.505 4.198 -1.804 1.00 1.00 H new ATOM 0 HG13 ILE X 51 95.559 5.450 -1.179 1.00 1.00 H new ATOM 0 HG21 ILE X 51 92.631 3.369 -0.026 1.00 1.00 H new ATOM 0 HG22 ILE X 51 91.617 4.806 0.246 1.00 1.00 H new ATOM 0 HG23 ILE X 51 92.197 4.423 -1.393 1.00 1.00 H new ATOM 0 HD11 ILE X 51 96.436 3.202 -0.613 1.00 1.00 H new ATOM 0 HD12 ILE X 51 95.987 4.087 0.865 1.00 1.00 H new ATOM 0 HD13 ILE X 51 94.916 2.816 0.229 1.00 1.00 H new ATOM 855 N ASP X 52 91.211 7.602 -0.682 1.00 1.00 N ATOM 856 CA ASP X 52 89.942 8.112 -0.176 1.00 1.00 C ATOM 857 C ASP X 52 89.097 6.988 0.412 1.00 1.00 C ATOM 858 O ASP X 52 88.451 7.160 1.446 1.00 1.00 O ATOM 859 CB ASP X 52 89.168 8.803 -1.299 1.00 1.00 C ATOM 860 CG ASP X 52 87.825 9.304 -0.775 1.00 1.00 C ATOM 861 OD1 ASP X 52 87.708 9.481 0.426 1.00 1.00 O ATOM 862 OD2 ASP X 52 86.934 9.502 -1.584 1.00 1.00 O ATOM 0 H ASP X 52 91.289 7.589 -1.699 1.00 1.00 H new ATOM 0 HA ASP X 52 90.158 8.832 0.613 1.00 1.00 H new ATOM 0 HB2 ASP X 52 89.749 9.638 -1.692 1.00 1.00 H new ATOM 0 HB3 ASP X 52 89.010 8.108 -2.124 1.00 1.00 H new ATOM 867 N ILE X 53 89.104 5.842 -0.257 1.00 1.00 N ATOM 868 CA ILE X 53 88.334 4.694 0.200 1.00 1.00 C ATOM 869 C ILE X 53 88.842 4.198 1.551 1.00 1.00 C ATOM 870 O ILE X 53 88.280 3.278 2.145 1.00 1.00 O ATOM 871 CB ILE X 53 88.427 3.570 -0.826 1.00 1.00 C ATOM 872 CG1 ILE X 53 87.723 4.007 -2.108 1.00 1.00 C ATOM 873 CG2 ILE X 53 87.740 2.332 -0.267 1.00 1.00 C ATOM 874 CD1 ILE X 53 88.012 2.999 -3.224 1.00 1.00 C ATOM 0 H ILE X 53 89.633 5.684 -1.115 1.00 1.00 H new ATOM 0 HA ILE X 53 87.295 5.002 0.314 1.00 1.00 H new ATOM 0 HB ILE X 53 89.472 3.344 -1.041 1.00 1.00 H new ATOM 0 HG12 ILE X 53 86.649 4.078 -1.938 1.00 1.00 H new ATOM 0 HG13 ILE X 53 88.066 4.999 -2.403 1.00 1.00 H new ATOM 0 HG21 ILE X 53 87.801 1.522 -0.994 1.00 1.00 H new ATOM 0 HG22 ILE X 53 88.233 2.028 0.657 1.00 1.00 H new ATOM 0 HG23 ILE X 53 86.693 2.558 -0.063 1.00 1.00 H new ATOM 0 HD11 ILE X 53 87.508 3.314 -4.138 1.00 1.00 H new ATOM 0 HD12 ILE X 53 89.086 2.950 -3.401 1.00 1.00 H new ATOM 0 HD13 ILE X 53 87.647 2.015 -2.929 1.00 1.00 H new ATOM 886 N LYS X 54 89.916 4.811 2.026 1.00 1.00 N ATOM 887 CA LYS X 54 90.504 4.426 3.303 1.00 1.00 C ATOM 888 C LYS X 54 89.527 4.675 4.443 1.00 1.00 C ATOM 889 O LYS X 54 89.344 3.824 5.315 1.00 1.00 O ATOM 890 CB LYS X 54 91.789 5.220 3.550 1.00 1.00 C ATOM 891 CG LYS X 54 92.476 4.704 4.816 1.00 1.00 C ATOM 892 CD LYS X 54 93.844 5.378 4.968 1.00 1.00 C ATOM 893 CE LYS X 54 94.541 4.843 6.219 1.00 1.00 C ATOM 894 NZ LYS X 54 95.893 5.457 6.338 1.00 1.00 N ATOM 0 H LYS X 54 90.397 5.574 1.550 1.00 1.00 H new ATOM 0 HA LYS X 54 90.735 3.362 3.264 1.00 1.00 H new ATOM 0 HB2 LYS X 54 92.459 5.123 2.695 1.00 1.00 H new ATOM 0 HB3 LYS X 54 91.559 6.280 3.655 1.00 1.00 H new ATOM 0 HG2 LYS X 54 91.857 4.913 5.689 1.00 1.00 H new ATOM 0 HG3 LYS X 54 92.596 3.622 4.762 1.00 1.00 H new ATOM 0 HD2 LYS X 54 94.456 5.185 4.087 1.00 1.00 H new ATOM 0 HD3 LYS X 54 93.723 6.459 5.041 1.00 1.00 H new ATOM 0 HE2 LYS X 54 93.947 5.071 7.104 1.00 1.00 H new ATOM 0 HE3 LYS X 54 94.627 3.758 6.164 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 96.366 5.092 7.189 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 96.458 5.218 5.498 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 95.800 6.490 6.410 1.00 1.00 H new ATOM 908 N ARG X 55 88.903 5.845 4.431 1.00 1.00 N ATOM 909 CA ARG X 55 87.943 6.191 5.461 1.00 1.00 C ATOM 910 C ARG X 55 86.695 5.324 5.359 1.00 1.00 C ATOM 911 O ARG X 55 86.109 4.956 6.376 1.00 1.00 O ATOM 912 CB ARG X 55 87.543 7.664 5.351 1.00 1.00 C ATOM 913 CG ARG X 55 88.720 8.548 5.766 1.00 1.00 C ATOM 914 CD ARG X 55 88.284 10.017 5.777 1.00 1.00 C ATOM 915 NE ARG X 55 89.430 10.879 6.039 1.00 1.00 N ATOM 916 CZ ARG X 55 89.895 11.049 7.273 1.00 1.00 C ATOM 917 NH1 ARG X 55 89.322 10.444 8.276 1.00 1.00 N ATOM 918 NH2 ARG X 55 90.924 11.825 7.480 1.00 1.00 N ATOM 0 H ARG X 55 89.046 6.565 3.722 1.00 1.00 H new ATOM 0 HA ARG X 55 88.419 6.015 6.426 1.00 1.00 H new ATOM 0 HB2 ARG X 55 87.245 7.895 4.328 1.00 1.00 H new ATOM 0 HB3 ARG X 55 86.681 7.866 5.988 1.00 1.00 H new ATOM 0 HG2 ARG X 55 89.075 8.257 6.754 1.00 1.00 H new ATOM 0 HG3 ARG X 55 89.552 8.411 5.075 1.00 1.00 H new ATOM 0 HD2 ARG X 55 87.835 10.278 4.819 1.00 1.00 H new ATOM 0 HD3 ARG X 55 87.521 10.172 6.540 1.00 1.00 H new ATOM 0 HE ARG X 55 89.883 11.360 5.262 1.00 1.00 H new ATOM 0 HH11 ARG X 55 88.516 9.840 8.114 1.00 1.00 H new ATOM 0 HH12 ARG X 55 89.679 10.575 9.222 1.00 1.00 H new ATOM 0 HH21 ARG X 55 91.370 12.300 6.696 1.00 1.00 H new ATOM 0 HH22 ARG X 55 91.282 11.956 8.426 1.00 1.00 H new ATOM 932 N TRP X 56 86.272 5.010 4.130 1.00 1.00 N ATOM 933 CA TRP X 56 85.077 4.211 3.950 1.00 1.00 C ATOM 934 C TRP X 56 85.266 2.814 4.545 1.00 1.00 C ATOM 935 O TRP X 56 84.396 2.284 5.238 1.00 1.00 O ATOM 936 CB TRP X 56 84.757 4.117 2.452 1.00 1.00 C ATOM 937 CG TRP X 56 83.609 3.178 2.227 1.00 1.00 C ATOM 938 CD1 TRP X 56 82.676 2.863 3.154 1.00 1.00 C ATOM 939 CD2 TRP X 56 83.262 2.430 1.026 1.00 1.00 C ATOM 940 NE1 TRP X 56 81.779 1.967 2.600 1.00 1.00 N ATOM 941 CE2 TRP X 56 82.097 1.671 1.289 1.00 1.00 C ATOM 942 CE3 TRP X 56 83.838 2.338 -0.254 1.00 1.00 C ATOM 943 CZ2 TRP X 56 81.525 0.848 0.319 1.00 1.00 C ATOM 944 CZ3 TRP X 56 83.264 1.511 -1.234 1.00 1.00 C ATOM 945 CH2 TRP X 56 82.111 0.767 -0.948 1.00 1.00 C ATOM 0 H TRP X 56 86.735 5.295 3.267 1.00 1.00 H new ATOM 0 HA TRP X 56 84.245 4.686 4.470 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.511 5.105 2.062 1.00 1.00 H new ATOM 0 HB3 TRP X 56 85.634 3.769 1.906 1.00 1.00 H new ATOM 0 HD1 TRP X 56 82.637 3.248 4.162 1.00 1.00 H new ATOM 0 HE1 TRP X 56 80.981 1.573 3.099 1.00 1.00 H new ATOM 0 HE3 TRP X 56 84.727 2.906 -0.485 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 80.636 0.278 0.545 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 83.714 1.448 -2.214 1.00 1.00 H new ATOM 0 HH2 TRP X 56 81.676 0.132 -1.705 1.00 1.00 H new ATOM 956 N ARG X 57 86.414 2.221 4.267 1.00 1.00 N ATOM 957 CA ARG X 57 86.719 0.887 4.766 1.00 1.00 C ATOM 958 C ARG X 57 86.904 0.906 6.273 1.00 1.00 C ATOM 959 O ARG X 57 86.557 -0.054 6.959 1.00 1.00 O ATOM 960 CB ARG X 57 87.981 0.345 4.091 1.00 1.00 C ATOM 961 CG ARG X 57 87.598 -0.531 2.891 1.00 1.00 C ATOM 962 CD ARG X 57 86.594 0.209 2.009 1.00 1.00 C ATOM 963 NE ARG X 57 86.856 -0.048 0.593 1.00 1.00 N ATOM 964 CZ ARG X 57 85.873 -0.270 -0.274 1.00 1.00 C ATOM 965 NH1 ARG X 57 84.632 -0.269 0.131 1.00 1.00 N ATOM 966 NH2 ARG X 57 86.149 -0.491 -1.530 1.00 1.00 N ATOM 0 H ARG X 57 87.151 2.640 3.699 1.00 1.00 H new ATOM 0 HA ARG X 57 85.880 0.233 4.528 1.00 1.00 H new ATOM 0 HB2 ARG X 57 88.611 1.171 3.762 1.00 1.00 H new ATOM 0 HB3 ARG X 57 88.564 -0.236 4.805 1.00 1.00 H new ATOM 0 HG2 ARG X 57 88.488 -0.782 2.313 1.00 1.00 H new ATOM 0 HG3 ARG X 57 87.168 -1.471 3.238 1.00 1.00 H new ATOM 0 HD2 ARG X 57 85.581 -0.107 2.259 1.00 1.00 H new ATOM 0 HD3 ARG X 57 86.651 1.280 2.205 1.00 1.00 H new ATOM 0 HE ARG X 57 87.821 -0.057 0.261 1.00 1.00 H new ATOM 0 HH11 ARG X 57 84.416 -0.098 1.113 1.00 1.00 H new ATOM 0 HH12 ARG X 57 83.878 -0.439 -0.535 1.00 1.00 H new ATOM 0 HH21 ARG X 57 87.119 -0.493 -1.846 1.00 1.00 H new ATOM 0 HH22 ARG X 57 85.395 -0.661 -2.196 1.00 1.00 H new ATOM 980 N ARG X 58 87.456 1.999 6.781 1.00 1.00 N ATOM 981 CA ARG X 58 87.686 2.118 8.214 1.00 1.00 C ATOM 982 C ARG X 58 86.380 1.975 8.989 1.00 1.00 C ATOM 983 O ARG X 58 86.308 1.222 9.959 1.00 1.00 O ATOM 984 CB ARG X 58 88.308 3.482 8.529 1.00 1.00 C ATOM 985 CG ARG X 58 89.833 3.389 8.444 1.00 1.00 C ATOM 986 CD ARG X 58 90.446 4.758 8.752 1.00 1.00 C ATOM 987 NE ARG X 58 91.899 4.688 8.656 1.00 1.00 N ATOM 988 CZ ARG X 58 92.635 4.254 9.675 1.00 1.00 C ATOM 989 NH1 ARG X 58 92.057 3.885 10.786 1.00 1.00 N ATOM 990 NH2 ARG X 58 93.934 4.196 9.564 1.00 1.00 N ATOM 0 H ARG X 58 87.750 2.806 6.231 1.00 1.00 H new ATOM 0 HA ARG X 58 88.365 1.320 8.516 1.00 1.00 H new ATOM 0 HB2 ARG X 58 87.941 4.230 7.827 1.00 1.00 H new ATOM 0 HB3 ARG X 58 88.009 3.807 9.526 1.00 1.00 H new ATOM 0 HG2 ARG X 58 90.203 2.646 9.151 1.00 1.00 H new ATOM 0 HG3 ARG X 58 90.133 3.060 7.449 1.00 1.00 H new ATOM 0 HD2 ARG X 58 90.063 5.502 8.054 1.00 1.00 H new ATOM 0 HD3 ARG X 58 90.155 5.079 9.752 1.00 1.00 H new ATOM 0 HE ARG X 58 92.359 4.977 7.793 1.00 1.00 H new ATOM 0 HH11 ARG X 58 91.042 3.930 10.872 1.00 1.00 H new ATOM 0 HH12 ARG X 58 92.621 3.552 11.568 1.00 1.00 H new ATOM 0 HH21 ARG X 58 94.385 4.484 8.696 1.00 1.00 H new ATOM 0 HH22 ARG X 58 94.498 3.863 10.346 1.00 1.00 H new ATOM 1004 N VAL X 59 85.352 2.689 8.554 1.00 1.00 N ATOM 1005 CA VAL X 59 84.057 2.624 9.221 1.00 1.00 C ATOM 1006 C VAL X 59 83.495 1.212 9.148 1.00 1.00 C ATOM 1007 O VAL X 59 82.991 0.682 10.138 1.00 1.00 O ATOM 1008 CB VAL X 59 83.079 3.594 8.557 1.00 1.00 C ATOM 1009 CG1 VAL X 59 81.725 3.529 9.261 1.00 1.00 C ATOM 1010 CG2 VAL X 59 83.628 5.013 8.649 1.00 1.00 C ATOM 0 H VAL X 59 85.387 3.315 7.750 1.00 1.00 H new ATOM 0 HA VAL X 59 84.191 2.901 10.267 1.00 1.00 H new ATOM 0 HB VAL X 59 82.955 3.316 7.510 1.00 1.00 H new ATOM 0 HG11 VAL X 59 81.033 4.222 8.783 1.00 1.00 H new ATOM 0 HG12 VAL X 59 81.328 2.516 9.194 1.00 1.00 H new ATOM 0 HG13 VAL X 59 81.846 3.802 10.309 1.00 1.00 H new ATOM 0 HG21 VAL X 59 82.931 5.704 8.176 1.00 1.00 H new ATOM 0 HG22 VAL X 59 83.755 5.287 9.696 1.00 1.00 H new ATOM 0 HG23 VAL X 59 84.591 5.064 8.141 1.00 1.00 H new ATOM 1020 N GLY X 60 83.584 0.608 7.969 1.00 1.00 N ATOM 1021 CA GLY X 60 83.073 -0.739 7.779 1.00 1.00 C ATOM 1022 C GLY X 60 83.790 -1.726 8.682 1.00 1.00 C ATOM 1023 O GLY X 60 83.148 -2.503 9.369 1.00 1.00 O ATOM 0 H GLY X 60 84.002 1.027 7.138 1.00 1.00 H new ATOM 0 HA2 GLY X 60 82.004 -0.759 7.989 1.00 1.00 H new ATOM 0 HA3 GLY X 60 83.199 -1.036 6.738 1.00 1.00 H new ATOM 1027 N ASP X 61 85.121 -1.691 8.672 1.00 1.00 N ATOM 1028 CA ASP X 61 85.908 -2.595 9.500 1.00 1.00 C ATOM 1029 C ASP X 61 85.620 -2.375 10.981 1.00 1.00 C ATOM 1030 O ASP X 61 85.544 -3.327 11.756 1.00 1.00 O ATOM 1031 CB ASP X 61 87.397 -2.366 9.237 1.00 1.00 C ATOM 1032 CG ASP X 61 87.845 -3.170 8.024 1.00 1.00 C ATOM 1033 OD1 ASP X 61 87.635 -4.372 8.020 1.00 1.00 O ATOM 1034 OD2 ASP X 61 88.387 -2.569 7.111 1.00 1.00 O ATOM 0 H ASP X 61 85.672 -1.049 8.102 1.00 1.00 H new ATOM 0 HA ASP X 61 85.634 -3.618 9.242 1.00 1.00 H new ATOM 0 HB2 ASP X 61 87.586 -1.306 9.070 1.00 1.00 H new ATOM 0 HB3 ASP X 61 87.978 -2.659 10.112 1.00 1.00 H new ATOM 1039 N CYS X 62 85.465 -1.115 11.374 1.00 1.00 N ATOM 1040 CA CYS X 62 85.191 -0.798 12.775 1.00 1.00 C ATOM 1041 C CYS X 62 83.810 -1.313 13.197 1.00 1.00 C ATOM 1042 O CYS X 62 83.676 -2.159 14.099 1.00 1.00 O ATOM 1043 CB CYS X 62 85.251 0.722 12.972 1.00 1.00 C ATOM 1044 SG CYS X 62 86.911 1.325 12.574 1.00 1.00 S ATOM 0 H CYS X 62 85.523 -0.306 10.755 1.00 1.00 H new ATOM 0 HA CYS X 62 85.943 -1.287 13.394 1.00 1.00 H new ATOM 0 HB2 CYS X 62 84.514 1.210 12.334 1.00 1.00 H new ATOM 0 HB3 CYS X 62 84.999 0.975 14.002 1.00 1.00 H new ATOM 0 HG CYS X 62 87.076 1.322 11.285 1.00 1.00 H new ATOM 1050 N PHE X 63 82.781 -0.806 12.537 1.00 1.00 N ATOM 1051 CA PHE X 63 81.423 -1.214 12.849 1.00 1.00 C ATOM 1052 C PHE X 63 81.252 -2.709 12.624 1.00 1.00 C ATOM 1053 O PHE X 63 80.467 -3.355 13.309 1.00 1.00 O ATOM 1054 CB PHE X 63 80.429 -0.448 11.980 1.00 1.00 C ATOM 1055 CG PHE X 63 79.766 0.633 12.805 1.00 1.00 C ATOM 1056 CD1 PHE X 63 78.938 0.285 13.880 1.00 1.00 C ATOM 1057 CD2 PHE X 63 79.980 1.981 12.493 1.00 1.00 C ATOM 1058 CE1 PHE X 63 78.324 1.288 14.642 1.00 1.00 C ATOM 1059 CE2 PHE X 63 79.367 2.982 13.255 1.00 1.00 C ATOM 1060 CZ PHE X 63 78.539 2.636 14.329 1.00 1.00 C ATOM 0 H PHE X 63 82.860 -0.117 11.789 1.00 1.00 H new ATOM 0 HA PHE X 63 81.230 -0.989 13.898 1.00 1.00 H new ATOM 0 HB2 PHE X 63 80.942 -0.005 11.126 1.00 1.00 H new ATOM 0 HB3 PHE X 63 79.677 -1.129 11.582 1.00 1.00 H new ATOM 0 HD1 PHE X 63 78.773 -0.755 14.121 1.00 1.00 H new ATOM 0 HD2 PHE X 63 80.618 2.248 11.664 1.00 1.00 H new ATOM 0 HE1 PHE X 63 77.685 1.021 15.471 1.00 1.00 H new ATOM 0 HE2 PHE X 63 79.533 4.022 13.014 1.00 1.00 H new ATOM 0 HZ PHE X 63 78.066 3.409 14.917 1.00 1.00 H new ATOM 1070 N GLN X 64 81.996 -3.249 11.664 1.00 1.00 N ATOM 1071 CA GLN X 64 81.920 -4.668 11.356 1.00 1.00 C ATOM 1072 C GLN X 64 82.360 -5.500 12.549 1.00 1.00 C ATOM 1073 O GLN X 64 81.793 -6.549 12.811 1.00 1.00 O ATOM 1074 CB GLN X 64 82.814 -4.998 10.158 1.00 1.00 C ATOM 1075 CG GLN X 64 83.059 -6.498 10.093 1.00 1.00 C ATOM 1076 CD GLN X 64 84.278 -6.861 10.934 1.00 1.00 C ATOM 1077 OE1 GLN X 64 85.343 -6.265 10.775 1.00 1.00 O ATOM 1078 NE2 GLN X 64 84.183 -7.807 11.827 1.00 1.00 N ATOM 0 H GLN X 64 82.656 -2.725 11.089 1.00 1.00 H new ATOM 0 HA GLN X 64 80.884 -4.906 11.116 1.00 1.00 H new ATOM 0 HB2 GLN X 64 82.342 -4.657 9.236 1.00 1.00 H new ATOM 0 HB3 GLN X 64 83.763 -4.469 10.245 1.00 1.00 H new ATOM 0 HG2 GLN X 64 82.183 -7.035 10.456 1.00 1.00 H new ATOM 0 HG3 GLN X 64 83.215 -6.805 9.059 1.00 1.00 H new ATOM 0 HE21 GLN X 64 83.299 -8.299 11.957 1.00 1.00 H new ATOM 0 HE22 GLN X 64 84.993 -8.055 12.396 1.00 1.00 H new ATOM 1087 N ASP X 65 83.382 -5.036 13.256 1.00 1.00 N ATOM 1088 CA ASP X 65 83.889 -5.771 14.409 1.00 1.00 C ATOM 1089 C ASP X 65 82.797 -5.930 15.455 1.00 1.00 C ATOM 1090 O ASP X 65 82.581 -7.023 15.980 1.00 1.00 O ATOM 1091 CB ASP X 65 85.080 -5.020 15.018 1.00 1.00 C ATOM 1092 CG ASP X 65 86.362 -5.343 14.250 1.00 1.00 C ATOM 1093 OD1 ASP X 65 86.309 -6.200 13.384 1.00 1.00 O ATOM 1094 OD2 ASP X 65 87.373 -4.723 14.536 1.00 1.00 O ATOM 0 H ASP X 65 83.872 -4.164 13.055 1.00 1.00 H new ATOM 0 HA ASP X 65 84.211 -6.760 14.082 1.00 1.00 H new ATOM 0 HB2 ASP X 65 84.893 -3.946 14.992 1.00 1.00 H new ATOM 0 HB3 ASP X 65 85.196 -5.298 16.066 1.00 1.00 H new ATOM 1099 N TYR X 66 82.105 -4.838 15.755 1.00 1.00 N ATOM 1100 CA TYR X 66 81.026 -4.890 16.746 1.00 1.00 C ATOM 1101 C TYR X 66 79.806 -5.627 16.198 1.00 1.00 C ATOM 1102 O TYR X 66 79.208 -6.456 16.885 1.00 1.00 O ATOM 1103 CB TYR X 66 80.626 -3.473 17.150 1.00 1.00 C ATOM 1104 CG TYR X 66 81.802 -2.784 17.799 1.00 1.00 C ATOM 1105 CD1 TYR X 66 82.093 -3.018 19.149 1.00 1.00 C ATOM 1106 CD2 TYR X 66 82.599 -1.911 17.051 1.00 1.00 C ATOM 1107 CE1 TYR X 66 83.184 -2.378 19.749 1.00 1.00 C ATOM 1108 CE2 TYR X 66 83.690 -1.269 17.652 1.00 1.00 C ATOM 1109 CZ TYR X 66 83.982 -1.504 19.002 1.00 1.00 C ATOM 1110 OH TYR X 66 85.056 -0.872 19.594 1.00 1.00 O ATOM 0 H TYR X 66 82.263 -3.920 15.338 1.00 1.00 H new ATOM 0 HA TYR X 66 81.393 -5.434 17.617 1.00 1.00 H new ATOM 0 HB2 TYR X 66 80.300 -2.912 16.274 1.00 1.00 H new ATOM 0 HB3 TYR X 66 79.783 -3.504 17.840 1.00 1.00 H new ATOM 0 HD1 TYR X 66 81.477 -3.691 19.726 1.00 1.00 H new ATOM 0 HD2 TYR X 66 82.373 -1.732 16.010 1.00 1.00 H new ATOM 0 HE1 TYR X 66 83.410 -2.559 20.789 1.00 1.00 H new ATOM 0 HE2 TYR X 66 84.305 -0.594 17.075 1.00 1.00 H new ATOM 0 HH TYR X 66 85.504 -0.301 18.935 1.00 1.00 H new ATOM 1120 N TYR X 67 79.441 -5.320 14.959 1.00 1.00 N ATOM 1121 CA TYR X 67 78.290 -5.960 14.327 1.00 1.00 C ATOM 1122 C TYR X 67 78.500 -7.467 14.203 1.00 1.00 C ATOM 1123 O TYR X 67 77.606 -8.252 14.510 1.00 1.00 O ATOM 1124 CB TYR X 67 78.059 -5.353 12.941 1.00 1.00 C ATOM 1125 CG TYR X 67 77.034 -4.249 13.035 1.00 1.00 C ATOM 1126 CD1 TYR X 67 77.108 -3.300 14.063 1.00 1.00 C ATOM 1127 CD2 TYR X 67 76.004 -4.176 12.089 1.00 1.00 C ATOM 1128 CE1 TYR X 67 76.154 -2.280 14.144 1.00 1.00 C ATOM 1129 CE2 TYR X 67 75.049 -3.156 12.170 1.00 1.00 C ATOM 1130 CZ TYR X 67 75.124 -2.208 13.198 1.00 1.00 C ATOM 1131 OH TYR X 67 74.182 -1.203 13.276 1.00 1.00 O ATOM 0 H TYR X 67 79.921 -4.636 14.374 1.00 1.00 H new ATOM 0 HA TYR X 67 77.415 -5.788 14.953 1.00 1.00 H new ATOM 0 HB2 TYR X 67 78.995 -4.961 12.544 1.00 1.00 H new ATOM 0 HB3 TYR X 67 77.717 -6.122 12.249 1.00 1.00 H new ATOM 0 HD1 TYR X 67 77.902 -3.356 14.793 1.00 1.00 H new ATOM 0 HD2 TYR X 67 75.947 -4.907 11.296 1.00 1.00 H new ATOM 0 HE1 TYR X 67 76.212 -1.548 14.936 1.00 1.00 H new ATOM 0 HE2 TYR X 67 74.255 -3.100 11.440 1.00 1.00 H new ATOM 0 HH TYR X 67 73.540 -1.299 12.542 1.00 1.00 H new ATOM 1141 N ASN X 68 79.680 -7.869 13.754 1.00 1.00 N ATOM 1142 CA ASN X 68 79.978 -9.283 13.599 1.00 1.00 C ATOM 1143 C ASN X 68 79.923 -9.989 14.949 1.00 1.00 C ATOM 1144 O ASN X 68 79.393 -11.096 15.057 1.00 1.00 O ATOM 1145 CB ASN X 68 81.367 -9.455 12.986 1.00 1.00 C ATOM 1146 CG ASN X 68 81.299 -9.235 11.478 1.00 1.00 C ATOM 1147 OD1 ASN X 68 82.118 -9.776 10.735 1.00 1.00 O ATOM 1148 ND2 ASN X 68 80.367 -8.472 10.979 1.00 1.00 N ATOM 0 H ASN X 68 80.440 -7.241 13.493 1.00 1.00 H new ATOM 0 HA ASN X 68 79.232 -9.726 12.939 1.00 1.00 H new ATOM 0 HB2 ASN X 68 82.063 -8.746 13.435 1.00 1.00 H new ATOM 0 HB3 ASN X 68 81.748 -10.454 13.200 1.00 1.00 H new ATOM 0 HD21 ASN X 68 80.316 -8.322 9.971 1.00 1.00 H new ATOM 0 HD22 ASN X 68 79.689 -8.025 11.596 1.00 1.00 H new ATOM 1155 N THR X 69 80.467 -9.342 15.975 1.00 1.00 N ATOM 1156 CA THR X 69 80.467 -9.917 17.314 1.00 1.00 C ATOM 1157 C THR X 69 79.037 -10.063 17.821 1.00 1.00 C ATOM 1158 O THR X 69 78.659 -11.103 18.360 1.00 1.00 O ATOM 1159 CB THR X 69 81.269 -9.031 18.267 1.00 1.00 C ATOM 1160 OG1 THR X 69 82.624 -8.989 17.841 1.00 1.00 O ATOM 1161 CG2 THR X 69 81.194 -9.604 19.683 1.00 1.00 C ATOM 0 H THR X 69 80.910 -8.426 15.905 1.00 1.00 H new ATOM 0 HA THR X 69 80.931 -10.902 17.272 1.00 1.00 H new ATOM 0 HB THR X 69 80.855 -8.023 18.264 1.00 1.00 H new ATOM 0 HG1 THR X 69 82.765 -8.202 17.275 1.00 1.00 H new ATOM 0 HG21 THR X 69 81.766 -8.972 20.362 1.00 1.00 H new ATOM 0 HG22 THR X 69 80.154 -9.637 20.008 1.00 1.00 H new ATOM 0 HG23 THR X 69 81.608 -10.612 19.690 1.00 1.00 H new ATOM 1169 N PHE X 70 78.244 -9.012 17.635 1.00 1.00 N ATOM 1170 CA PHE X 70 76.851 -9.036 18.067 1.00 1.00 C ATOM 1171 C PHE X 70 76.060 -10.083 17.283 1.00 1.00 C ATOM 1172 O PHE X 70 75.203 -10.769 17.841 1.00 1.00 O ATOM 1173 CB PHE X 70 76.210 -7.659 17.874 1.00 1.00 C ATOM 1174 CG PHE X 70 76.309 -6.869 19.159 1.00 1.00 C ATOM 1175 CD1 PHE X 70 75.567 -7.266 20.277 1.00 1.00 C ATOM 1176 CD2 PHE X 70 77.139 -5.744 19.233 1.00 1.00 C ATOM 1177 CE1 PHE X 70 75.654 -6.538 21.470 1.00 1.00 C ATOM 1178 CE2 PHE X 70 77.226 -5.016 20.425 1.00 1.00 C ATOM 1179 CZ PHE X 70 76.484 -5.413 21.544 1.00 1.00 C ATOM 0 H PHE X 70 78.538 -8.141 17.193 1.00 1.00 H new ATOM 0 HA PHE X 70 76.830 -9.297 19.125 1.00 1.00 H new ATOM 0 HB2 PHE X 70 76.710 -7.124 17.067 1.00 1.00 H new ATOM 0 HB3 PHE X 70 75.165 -7.770 17.583 1.00 1.00 H new ATOM 0 HD1 PHE X 70 74.927 -8.134 20.220 1.00 1.00 H new ATOM 0 HD2 PHE X 70 77.712 -5.438 18.370 1.00 1.00 H new ATOM 0 HE1 PHE X 70 75.081 -6.844 22.333 1.00 1.00 H new ATOM 0 HE2 PHE X 70 77.866 -4.148 20.482 1.00 1.00 H new ATOM 0 HZ PHE X 70 76.552 -4.851 22.464 1.00 1.00 H new ATOM 1189 N GLY X 71 76.339 -10.188 15.984 1.00 1.00 N ATOM 1190 CA GLY X 71 75.637 -11.136 15.136 1.00 1.00 C ATOM 1191 C GLY X 71 75.485 -10.578 13.723 1.00 1.00 C ATOM 1192 O GLY X 71 75.807 -11.250 12.744 1.00 1.00 O ATOM 0 H GLY X 71 77.043 -9.629 15.503 1.00 1.00 H new ATOM 0 HA2 GLY X 71 76.183 -12.079 15.104 1.00 1.00 H new ATOM 0 HA3 GLY X 71 74.655 -11.351 15.556 1.00 1.00 H new ATOM 1196 N PRO X 72 75.008 -9.363 13.603 1.00 1.00 N ATOM 1197 CA PRO X 72 74.814 -8.707 12.279 1.00 1.00 C ATOM 1198 C PRO X 72 76.046 -8.831 11.385 1.00 1.00 C ATOM 1199 O PRO X 72 77.049 -8.159 11.586 1.00 1.00 O ATOM 1200 CB PRO X 72 74.545 -7.246 12.642 1.00 1.00 C ATOM 1201 CG PRO X 72 74.011 -7.260 14.034 1.00 1.00 C ATOM 1202 CD PRO X 72 74.596 -8.487 14.718 1.00 1.00 C ATOM 0 HA PRO X 72 74.008 -9.167 11.707 1.00 1.00 H new ATOM 0 HB2 PRO X 72 75.458 -6.654 12.580 1.00 1.00 H new ATOM 0 HB3 PRO X 72 73.828 -6.799 11.954 1.00 1.00 H new ATOM 0 HG2 PRO X 72 74.292 -6.351 14.565 1.00 1.00 H new ATOM 0 HG3 PRO X 72 72.922 -7.302 14.030 1.00 1.00 H new ATOM 0 HD2 PRO X 72 75.443 -8.224 15.351 1.00 1.00 H new ATOM 0 HD3 PRO X 72 73.860 -8.975 15.357 1.00 1.00 H new ATOM 1210 N GLU X 73 75.956 -9.704 10.396 1.00 1.00 N ATOM 1211 CA GLU X 73 77.055 -9.920 9.467 1.00 1.00 C ATOM 1212 C GLU X 73 76.929 -9.005 8.256 1.00 1.00 C ATOM 1213 O GLU X 73 77.698 -9.127 7.303 1.00 1.00 O ATOM 1214 CB GLU X 73 77.086 -11.376 9.023 1.00 1.00 C ATOM 1215 CG GLU X 73 75.846 -11.686 8.178 1.00 1.00 C ATOM 1216 CD GLU X 73 75.776 -13.179 7.878 1.00 1.00 C ATOM 1217 OE1 GLU X 73 76.037 -13.959 8.779 1.00 1.00 O ATOM 1218 OE2 GLU X 73 75.457 -13.520 6.751 1.00 1.00 O ATOM 0 H GLU X 73 75.132 -10.277 10.215 1.00 1.00 H new ATOM 0 HA GLU X 73 77.988 -9.684 9.979 1.00 1.00 H new ATOM 0 HB2 GLU X 73 77.989 -11.571 8.445 1.00 1.00 H new ATOM 0 HB3 GLU X 73 77.117 -12.031 9.894 1.00 1.00 H new ATOM 0 HG2 GLU X 73 74.947 -11.371 8.708 1.00 1.00 H new ATOM 0 HG3 GLU X 73 75.881 -11.121 7.246 1.00 1.00 H new ATOM 1225 N LYS X 74 75.942 -8.108 8.289 1.00 1.00 N ATOM 1226 CA LYS X 74 75.710 -7.196 7.181 1.00 1.00 C ATOM 1227 C LYS X 74 77.022 -6.744 6.562 1.00 1.00 C ATOM 1228 O LYS X 74 77.141 -6.661 5.339 1.00 1.00 O ATOM 1229 CB LYS X 74 74.922 -5.976 7.671 1.00 1.00 C ATOM 1230 CG LYS X 74 74.828 -4.931 6.552 1.00 1.00 C ATOM 1231 CD LYS X 74 73.973 -3.759 7.016 1.00 1.00 C ATOM 1232 CE LYS X 74 73.968 -2.687 5.926 1.00 1.00 C ATOM 1233 NZ LYS X 74 73.173 -1.514 6.390 1.00 1.00 N ATOM 0 H LYS X 74 75.296 -7.998 9.070 1.00 1.00 H new ATOM 0 HA LYS X 74 75.135 -7.722 6.419 1.00 1.00 H new ATOM 0 HB2 LYS X 74 73.922 -6.279 7.982 1.00 1.00 H new ATOM 0 HB3 LYS X 74 75.410 -5.544 8.544 1.00 1.00 H new ATOM 0 HG2 LYS X 74 75.825 -4.582 6.282 1.00 1.00 H new ATOM 0 HG3 LYS X 74 74.394 -5.379 5.658 1.00 1.00 H new ATOM 0 HD2 LYS X 74 72.956 -4.093 7.221 1.00 1.00 H new ATOM 0 HD3 LYS X 74 74.368 -3.349 7.946 1.00 1.00 H new ATOM 0 HE2 LYS X 74 74.989 -2.381 5.697 1.00 1.00 H new ATOM 0 HE3 LYS X 74 73.542 -3.089 5.007 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 73.168 -0.783 5.650 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 72.197 -1.813 6.588 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 73.599 -1.127 7.256 1.00 1.00 H new ATOM 1247 N VAL X 75 77.999 -6.457 7.409 1.00 1.00 N ATOM 1248 CA VAL X 75 79.303 -6.017 6.934 1.00 1.00 C ATOM 1249 C VAL X 75 80.393 -6.981 7.402 1.00 1.00 C ATOM 1250 O VAL X 75 80.996 -6.777 8.452 1.00 1.00 O ATOM 1251 CB VAL X 75 79.603 -4.616 7.453 1.00 1.00 C ATOM 1252 CG1 VAL X 75 79.086 -3.583 6.444 1.00 1.00 C ATOM 1253 CG2 VAL X 75 78.918 -4.403 8.797 1.00 1.00 C ATOM 0 H VAL X 75 77.915 -6.520 8.424 1.00 1.00 H new ATOM 0 HA VAL X 75 79.287 -6.002 5.844 1.00 1.00 H new ATOM 0 HB VAL X 75 80.679 -4.500 7.580 1.00 1.00 H new ATOM 0 HG11 VAL X 75 79.298 -2.579 6.811 1.00 1.00 H new ATOM 0 HG12 VAL X 75 79.582 -3.732 5.485 1.00 1.00 H new ATOM 0 HG13 VAL X 75 78.010 -3.704 6.319 1.00 1.00 H new ATOM 0 HG21 VAL X 75 79.137 -3.399 9.162 1.00 1.00 H new ATOM 0 HG22 VAL X 75 77.841 -4.519 8.679 1.00 1.00 H new ATOM 0 HG23 VAL X 75 79.286 -5.138 9.513 1.00 1.00 H new ATOM 1263 N PRO X 76 80.651 -8.020 6.646 1.00 1.00 N ATOM 1264 CA PRO X 76 81.694 -9.037 6.984 1.00 1.00 C ATOM 1265 C PRO X 76 83.091 -8.427 7.069 1.00 1.00 C ATOM 1266 O PRO X 76 83.394 -7.449 6.387 1.00 1.00 O ATOM 1267 CB PRO X 76 81.613 -10.048 5.833 1.00 1.00 C ATOM 1268 CG PRO X 76 80.284 -9.827 5.200 1.00 1.00 C ATOM 1269 CD PRO X 76 79.971 -8.355 5.388 1.00 1.00 C ATOM 0 HA PRO X 76 81.519 -9.484 7.963 1.00 1.00 H new ATOM 0 HB2 PRO X 76 82.419 -9.892 5.116 1.00 1.00 H new ATOM 0 HB3 PRO X 76 81.707 -11.070 6.201 1.00 1.00 H new ATOM 0 HG2 PRO X 76 80.307 -10.089 4.142 1.00 1.00 H new ATOM 0 HG3 PRO X 76 79.521 -10.451 5.666 1.00 1.00 H new ATOM 0 HD2 PRO X 76 80.344 -7.756 4.558 1.00 1.00 H new ATOM 0 HD3 PRO X 76 78.897 -8.178 5.452 1.00 1.00 H new ATOM 1277 N VAL X 77 83.934 -9.011 7.917 1.00 1.00 N ATOM 1278 CA VAL X 77 85.298 -8.521 8.090 1.00 1.00 C ATOM 1279 C VAL X 77 86.125 -8.782 6.840 1.00 1.00 C ATOM 1280 O VAL X 77 87.092 -8.069 6.565 1.00 1.00 O ATOM 1281 CB VAL X 77 85.957 -9.203 9.287 1.00 1.00 C ATOM 1282 CG1 VAL X 77 86.157 -10.686 8.981 1.00 1.00 C ATOM 1283 CG2 VAL X 77 87.315 -8.551 9.566 1.00 1.00 C ATOM 0 H VAL X 77 83.698 -9.820 8.492 1.00 1.00 H new ATOM 0 HA VAL X 77 85.252 -7.446 8.266 1.00 1.00 H new ATOM 0 HB VAL X 77 85.317 -9.095 10.163 1.00 1.00 H new ATOM 0 HG11 VAL X 77 86.627 -11.173 9.835 1.00 1.00 H new ATOM 0 HG12 VAL X 77 85.191 -11.151 8.785 1.00 1.00 H new ATOM 0 HG13 VAL X 77 86.796 -10.794 8.104 1.00 1.00 H new ATOM 0 HG21 VAL X 77 87.784 -9.039 10.421 1.00 1.00 H new ATOM 0 HG22 VAL X 77 87.956 -8.657 8.691 1.00 1.00 H new ATOM 0 HG23 VAL X 77 87.172 -7.493 9.785 1.00 1.00 H new ATOM 1293 N THR X 78 85.744 -9.807 6.087 1.00 1.00 N ATOM 1294 CA THR X 78 86.462 -10.156 4.865 1.00 1.00 C ATOM 1295 C THR X 78 86.729 -8.911 4.020 1.00 1.00 C ATOM 1296 O THR X 78 87.513 -8.949 3.072 1.00 1.00 O ATOM 1297 CB THR X 78 85.647 -11.163 4.050 1.00 1.00 C ATOM 1298 OG1 THR X 78 84.400 -10.584 3.696 1.00 1.00 O ATOM 1299 CG2 THR X 78 85.408 -12.425 4.882 1.00 1.00 C ATOM 0 H THR X 78 84.947 -10.408 6.298 1.00 1.00 H new ATOM 0 HA THR X 78 87.417 -10.601 5.144 1.00 1.00 H new ATOM 0 HB THR X 78 86.196 -11.427 3.146 1.00 1.00 H new ATOM 0 HG1 THR X 78 83.878 -11.227 3.173 1.00 1.00 H new ATOM 0 HG21 THR X 78 84.827 -13.140 4.299 1.00 1.00 H new ATOM 0 HG22 THR X 78 86.366 -12.869 5.152 1.00 1.00 H new ATOM 0 HG23 THR X 78 84.860 -12.165 5.788 1.00 1.00 H new ATOM 1307 N ALA X 79 86.075 -7.809 4.376 1.00 1.00 N ATOM 1308 CA ALA X 79 86.249 -6.555 3.656 1.00 1.00 C ATOM 1309 C ALA X 79 87.694 -6.077 3.753 1.00 1.00 C ATOM 1310 O ALA X 79 88.219 -5.475 2.818 1.00 1.00 O ATOM 1311 CB ALA X 79 85.316 -5.492 4.231 1.00 1.00 C ATOM 0 H ALA X 79 85.421 -7.761 5.157 1.00 1.00 H new ATOM 0 HA ALA X 79 86.005 -6.722 2.607 1.00 1.00 H new ATOM 0 HB1 ALA X 79 85.451 -4.557 3.688 1.00 1.00 H new ATOM 0 HB2 ALA X 79 84.282 -5.823 4.132 1.00 1.00 H new ATOM 0 HB3 ALA X 79 85.547 -5.336 5.285 1.00 1.00 H new ATOM 1317 N PHE X 80 88.331 -6.346 4.887 1.00 1.00 N ATOM 1318 CA PHE X 80 89.715 -5.932 5.083 1.00 1.00 C ATOM 1319 C PHE X 80 90.630 -6.561 4.030 1.00 1.00 C ATOM 1320 O PHE X 80 91.453 -5.879 3.420 1.00 1.00 O ATOM 1321 CB PHE X 80 90.184 -6.351 6.482 1.00 1.00 C ATOM 1322 CG PHE X 80 91.619 -5.919 6.685 1.00 1.00 C ATOM 1323 CD1 PHE X 80 92.662 -6.656 6.111 1.00 1.00 C ATOM 1324 CD2 PHE X 80 91.904 -4.780 7.448 1.00 1.00 C ATOM 1325 CE1 PHE X 80 93.990 -6.253 6.300 1.00 1.00 C ATOM 1326 CE2 PHE X 80 93.231 -4.377 7.637 1.00 1.00 C ATOM 1327 CZ PHE X 80 94.274 -5.113 7.063 1.00 1.00 C ATOM 0 H PHE X 80 87.917 -6.843 5.676 1.00 1.00 H new ATOM 0 HA PHE X 80 89.766 -4.848 4.983 1.00 1.00 H new ATOM 0 HB2 PHE X 80 89.546 -5.898 7.241 1.00 1.00 H new ATOM 0 HB3 PHE X 80 90.099 -7.432 6.597 1.00 1.00 H new ATOM 0 HD1 PHE X 80 92.443 -7.535 5.523 1.00 1.00 H new ATOM 0 HD2 PHE X 80 91.099 -4.212 7.891 1.00 1.00 H new ATOM 0 HE1 PHE X 80 94.795 -6.821 5.858 1.00 1.00 H new ATOM 0 HE2 PHE X 80 93.450 -3.498 8.226 1.00 1.00 H new ATOM 0 HZ PHE X 80 95.298 -4.802 7.208 1.00 1.00 H new ATOM 1337 N SER X 81 90.496 -7.863 3.827 1.00 1.00 N ATOM 1338 CA SER X 81 91.335 -8.559 2.850 1.00 1.00 C ATOM 1339 C SER X 81 91.122 -7.977 1.440 1.00 1.00 C ATOM 1340 O SER X 81 92.077 -7.596 0.729 1.00 1.00 O ATOM 1341 CB SER X 81 90.981 -10.052 2.856 1.00 1.00 C ATOM 1342 OG SER X 81 89.619 -10.217 2.473 1.00 1.00 O ATOM 0 H SER X 81 89.826 -8.456 4.316 1.00 1.00 H new ATOM 0 HA SER X 81 92.382 -8.426 3.121 1.00 1.00 H new ATOM 0 HB2 SER X 81 91.631 -10.594 2.170 1.00 1.00 H new ATOM 0 HB3 SER X 81 91.145 -10.472 3.849 1.00 1.00 H new ATOM 0 HG SER X 81 89.045 -9.702 3.077 1.00 1.00 H new ATOM 1348 N TYR X 82 89.865 -7.901 1.037 1.00 1.00 N ATOM 1349 CA TYR X 82 89.534 -7.376 -0.277 1.00 1.00 C ATOM 1350 C TYR X 82 90.041 -5.950 -0.412 1.00 1.00 C ATOM 1351 O TYR X 82 90.447 -5.519 -1.495 1.00 1.00 O ATOM 1352 CB TYR X 82 88.013 -7.434 -0.496 1.00 1.00 C ATOM 1353 CG TYR X 82 87.506 -8.858 -0.304 1.00 1.00 C ATOM 1354 CD1 TYR X 82 88.156 -9.929 -0.929 1.00 1.00 C ATOM 1355 CD2 TYR X 82 86.388 -9.094 0.505 1.00 1.00 C ATOM 1356 CE1 TYR X 82 87.689 -11.235 -0.745 1.00 1.00 C ATOM 1357 CE2 TYR X 82 85.921 -10.401 0.690 1.00 1.00 C ATOM 1358 CZ TYR X 82 86.571 -11.471 0.065 1.00 1.00 C ATOM 1359 OH TYR X 82 86.113 -12.757 0.252 1.00 1.00 O ATOM 0 H TYR X 82 89.063 -8.193 1.595 1.00 1.00 H new ATOM 0 HA TYR X 82 90.018 -7.987 -1.039 1.00 1.00 H new ATOM 0 HB2 TYR X 82 87.512 -6.765 0.204 1.00 1.00 H new ATOM 0 HB3 TYR X 82 87.770 -7.086 -1.500 1.00 1.00 H new ATOM 0 HD1 TYR X 82 89.018 -9.747 -1.553 1.00 1.00 H new ATOM 0 HD2 TYR X 82 85.886 -8.268 0.986 1.00 1.00 H new ATOM 0 HE1 TYR X 82 88.190 -12.061 -1.227 1.00 1.00 H new ATOM 0 HE2 TYR X 82 85.059 -10.583 1.315 1.00 1.00 H new ATOM 0 HH TYR X 82 85.357 -12.925 -0.348 1.00 1.00 H new ATOM 1369 N TRP X 83 90.028 -5.225 0.690 1.00 1.00 N ATOM 1370 CA TRP X 83 90.494 -3.852 0.678 1.00 1.00 C ATOM 1371 C TRP X 83 91.977 -3.803 0.316 1.00 1.00 C ATOM 1372 O TRP X 83 92.441 -2.859 -0.322 1.00 1.00 O ATOM 1373 CB TRP X 83 90.259 -3.188 2.036 1.00 1.00 C ATOM 1374 CG TRP X 83 90.835 -1.811 2.027 1.00 1.00 C ATOM 1375 CD1 TRP X 83 90.722 -0.925 1.011 1.00 1.00 C ATOM 1376 CD2 TRP X 83 91.603 -1.142 3.070 1.00 1.00 C ATOM 1377 NE1 TRP X 83 91.372 0.244 1.363 1.00 1.00 N ATOM 1378 CE2 TRP X 83 91.932 0.159 2.623 1.00 1.00 C ATOM 1379 CE3 TRP X 83 92.043 -1.536 4.347 1.00 1.00 C ATOM 1380 CZ2 TRP X 83 92.669 1.040 3.415 1.00 1.00 C ATOM 1381 CZ3 TRP X 83 92.786 -0.652 5.147 1.00 1.00 C ATOM 1382 CH2 TRP X 83 93.098 0.633 4.681 1.00 1.00 C ATOM 0 H TRP X 83 89.703 -5.560 1.597 1.00 1.00 H new ATOM 0 HA TRP X 83 89.928 -3.303 -0.074 1.00 1.00 H new ATOM 0 HB2 TRP X 83 89.191 -3.145 2.251 1.00 1.00 H new ATOM 0 HB3 TRP X 83 90.720 -3.781 2.826 1.00 1.00 H new ATOM 0 HD1 TRP X 83 90.208 -1.102 0.078 1.00 1.00 H new ATOM 0 HE1 TRP X 83 91.431 1.068 0.765 1.00 1.00 H new ATOM 0 HE3 TRP X 83 91.808 -2.524 4.714 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 92.906 2.029 3.052 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 93.119 -0.964 6.126 1.00 1.00 H new ATOM 0 HH2 TRP X 83 93.670 1.308 5.300 1.00 1.00 H new ATOM 1393 N ASN X 84 92.719 -4.823 0.739 1.00 1.00 N ATOM 1394 CA ASN X 84 94.150 -4.871 0.464 1.00 1.00 C ATOM 1395 C ASN X 84 94.379 -4.783 -1.036 1.00 1.00 C ATOM 1396 O ASN X 84 95.264 -4.060 -1.504 1.00 1.00 O ATOM 1397 CB ASN X 84 94.736 -6.182 0.988 1.00 1.00 C ATOM 1398 CG ASN X 84 96.220 -6.011 1.293 1.00 1.00 C ATOM 1399 OD1 ASN X 84 96.843 -5.060 0.821 1.00 1.00 O ATOM 1400 ND2 ASN X 84 96.826 -6.878 2.057 1.00 1.00 N ATOM 0 H ASN X 84 92.358 -5.618 1.267 1.00 1.00 H new ATOM 0 HA ASN X 84 94.639 -4.033 0.962 1.00 1.00 H new ATOM 0 HB2 ASN X 84 94.206 -6.492 1.889 1.00 1.00 H new ATOM 0 HB3 ASN X 84 94.598 -6.972 0.249 1.00 1.00 H new ATOM 0 HD21 ASN X 84 97.819 -6.769 2.265 1.00 1.00 H new ATOM 0 HD22 ASN X 84 96.307 -7.665 2.447 1.00 1.00 H new ATOM 1407 N LEU X 85 93.565 -5.512 -1.791 1.00 1.00 N ATOM 1408 CA LEU X 85 93.686 -5.489 -3.247 1.00 1.00 C ATOM 1409 C LEU X 85 93.400 -4.087 -3.779 1.00 1.00 C ATOM 1410 O LEU X 85 94.058 -3.623 -4.710 1.00 1.00 O ATOM 1411 CB LEU X 85 92.724 -6.490 -3.883 1.00 1.00 C ATOM 1412 CG LEU X 85 93.331 -7.895 -3.834 1.00 1.00 C ATOM 1413 CD1 LEU X 85 94.545 -7.986 -4.768 1.00 1.00 C ATOM 1414 CD2 LEU X 85 93.771 -8.201 -2.400 1.00 1.00 C ATOM 0 H LEU X 85 92.827 -6.116 -1.430 1.00 1.00 H new ATOM 0 HA LEU X 85 94.706 -5.769 -3.509 1.00 1.00 H new ATOM 0 HB2 LEU X 85 91.770 -6.477 -3.356 1.00 1.00 H new ATOM 0 HB3 LEU X 85 92.521 -6.207 -4.916 1.00 1.00 H new ATOM 0 HG LEU X 85 92.582 -8.618 -4.159 1.00 1.00 H new ATOM 0 HD11 LEU X 85 94.965 -8.991 -4.722 1.00 1.00 H new ATOM 0 HD12 LEU X 85 94.235 -7.769 -5.790 1.00 1.00 H new ATOM 0 HD13 LEU X 85 95.299 -7.263 -4.456 1.00 1.00 H new ATOM 0 HD21 LEU X 85 94.204 -9.200 -2.358 1.00 1.00 H new ATOM 0 HD22 LEU X 85 94.514 -7.469 -2.084 1.00 1.00 H new ATOM 0 HD23 LEU X 85 92.908 -8.151 -1.736 1.00 1.00 H new ATOM 1426 N ILE X 86 92.411 -3.415 -3.190 1.00 1.00 N ATOM 1427 CA ILE X 86 92.060 -2.067 -3.627 1.00 1.00 C ATOM 1428 C ILE X 86 93.219 -1.101 -3.401 1.00 1.00 C ATOM 1429 O ILE X 86 93.558 -0.309 -4.277 1.00 1.00 O ATOM 1430 CB ILE X 86 90.846 -1.592 -2.853 1.00 1.00 C ATOM 1431 CG1 ILE X 86 89.619 -2.406 -3.263 1.00 1.00 C ATOM 1432 CG2 ILE X 86 90.600 -0.113 -3.140 1.00 1.00 C ATOM 1433 CD1 ILE X 86 88.472 -2.115 -2.299 1.00 1.00 C ATOM 0 H ILE X 86 91.847 -3.776 -2.421 1.00 1.00 H new ATOM 0 HA ILE X 86 91.838 -2.093 -4.694 1.00 1.00 H new ATOM 0 HB ILE X 86 91.026 -1.728 -1.787 1.00 1.00 H new ATOM 0 HG12 ILE X 86 89.325 -2.153 -4.282 1.00 1.00 H new ATOM 0 HG13 ILE X 86 89.855 -3.470 -3.254 1.00 1.00 H new ATOM 0 HG21 ILE X 86 89.727 0.226 -2.582 1.00 1.00 H new ATOM 0 HG22 ILE X 86 91.472 0.467 -2.836 1.00 1.00 H new ATOM 0 HG23 ILE X 86 90.426 0.026 -4.207 1.00 1.00 H new ATOM 0 HD11 ILE X 86 87.596 -2.695 -2.590 1.00 1.00 H new ATOM 0 HD12 ILE X 86 88.769 -2.390 -1.287 1.00 1.00 H new ATOM 0 HD13 ILE X 86 88.231 -1.053 -2.331 1.00 1.00 H new ATOM 1445 N LYS X 87 93.833 -1.167 -2.226 1.00 1.00 N ATOM 1446 CA LYS X 87 94.950 -0.283 -1.928 1.00 1.00 C ATOM 1447 C LYS X 87 95.996 -0.353 -3.029 1.00 1.00 C ATOM 1448 O LYS X 87 96.487 0.676 -3.497 1.00 1.00 O ATOM 1449 CB LYS X 87 95.588 -0.692 -0.602 1.00 1.00 C ATOM 1450 CG LYS X 87 94.685 -0.276 0.564 1.00 1.00 C ATOM 1451 CD LYS X 87 95.457 -0.369 1.889 1.00 1.00 C ATOM 1452 CE LYS X 87 95.532 -1.823 2.347 1.00 1.00 C ATOM 1453 NZ LYS X 87 96.198 -1.885 3.676 1.00 1.00 N ATOM 0 H LYS X 87 93.582 -1.812 -1.477 1.00 1.00 H new ATOM 0 HA LYS X 87 94.575 0.738 -1.861 1.00 1.00 H new ATOM 0 HB2 LYS X 87 95.747 -1.770 -0.583 1.00 1.00 H new ATOM 0 HB3 LYS X 87 96.567 -0.223 -0.500 1.00 1.00 H new ATOM 0 HG2 LYS X 87 94.329 0.743 0.413 1.00 1.00 H new ATOM 0 HG3 LYS X 87 93.806 -0.919 0.601 1.00 1.00 H new ATOM 0 HD2 LYS X 87 96.462 0.034 1.763 1.00 1.00 H new ATOM 0 HD3 LYS X 87 94.964 0.236 2.650 1.00 1.00 H new ATOM 0 HE2 LYS X 87 94.531 -2.249 2.409 1.00 1.00 H new ATOM 0 HE3 LYS X 87 96.087 -2.417 1.621 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 96.251 -2.874 3.992 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 97.159 -1.493 3.602 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 95.650 -1.331 4.365 1.00 1.00 H new ATOM 1467 N GLU X 88 96.324 -1.563 -3.449 1.00 1.00 N ATOM 1468 CA GLU X 88 97.297 -1.749 -4.507 1.00 1.00 C ATOM 1469 C GLU X 88 96.765 -1.167 -5.806 1.00 1.00 C ATOM 1470 O GLU X 88 97.521 -0.653 -6.614 1.00 1.00 O ATOM 1471 CB GLU X 88 97.601 -3.237 -4.694 1.00 1.00 C ATOM 1472 CG GLU X 88 98.430 -3.746 -3.519 1.00 1.00 C ATOM 1473 CD GLU X 88 98.711 -5.235 -3.685 1.00 1.00 C ATOM 1474 OE1 GLU X 88 98.237 -5.803 -4.654 1.00 1.00 O ATOM 1475 OE2 GLU X 88 99.403 -5.784 -2.843 1.00 1.00 O ATOM 0 H GLU X 88 95.932 -2.427 -3.074 1.00 1.00 H new ATOM 0 HA GLU X 88 98.217 -1.234 -4.231 1.00 1.00 H new ATOM 0 HB2 GLU X 88 96.671 -3.801 -4.767 1.00 1.00 H new ATOM 0 HB3 GLU X 88 98.142 -3.393 -5.627 1.00 1.00 H new ATOM 0 HG2 GLU X 88 99.369 -3.195 -3.460 1.00 1.00 H new ATOM 0 HG3 GLU X 88 97.897 -3.570 -2.584 1.00 1.00 H new ATOM 1482 N LEU X 89 95.456 -1.256 -6.013 1.00 1.00 N ATOM 1483 CA LEU X 89 94.877 -0.728 -7.244 1.00 1.00 C ATOM 1484 C LEU X 89 94.969 0.797 -7.292 1.00 1.00 C ATOM 1485 O LEU X 89 95.423 1.370 -8.283 1.00 1.00 O ATOM 1486 CB LEU X 89 93.405 -1.150 -7.328 1.00 1.00 C ATOM 1487 CG LEU X 89 92.732 -0.510 -8.551 1.00 1.00 C ATOM 1488 CD1 LEU X 89 93.448 -0.962 -9.820 1.00 1.00 C ATOM 1489 CD2 LEU X 89 91.264 -0.940 -8.606 1.00 1.00 C ATOM 0 H LEU X 89 94.790 -1.677 -5.365 1.00 1.00 H new ATOM 0 HA LEU X 89 95.437 -1.130 -8.088 1.00 1.00 H new ATOM 0 HB2 LEU X 89 93.335 -2.236 -7.393 1.00 1.00 H new ATOM 0 HB3 LEU X 89 92.882 -0.851 -6.420 1.00 1.00 H new ATOM 0 HG LEU X 89 92.788 0.576 -8.473 1.00 1.00 H new ATOM 0 HD11 LEU X 89 92.971 -0.508 -10.688 1.00 1.00 H new ATOM 0 HD12 LEU X 89 94.493 -0.654 -9.778 1.00 1.00 H new ATOM 0 HD13 LEU X 89 93.393 -2.048 -9.902 1.00 1.00 H new ATOM 0 HD21 LEU X 89 90.784 -0.487 -9.474 1.00 1.00 H new ATOM 0 HD22 LEU X 89 91.206 -2.026 -8.685 1.00 1.00 H new ATOM 0 HD23 LEU X 89 90.755 -0.614 -7.699 1.00 1.00 H new ATOM 1501 N ILE X 90 94.521 1.443 -6.224 1.00 1.00 N ATOM 1502 CA ILE X 90 94.532 2.898 -6.160 1.00 1.00 C ATOM 1503 C ILE X 90 95.960 3.421 -6.052 1.00 1.00 C ATOM 1504 O ILE X 90 96.328 4.403 -6.697 1.00 1.00 O ATOM 1505 CB ILE X 90 93.728 3.371 -4.948 1.00 1.00 C ATOM 1506 CG1 ILE X 90 92.344 2.724 -4.972 1.00 1.00 C ATOM 1507 CG2 ILE X 90 93.551 4.892 -5.028 1.00 1.00 C ATOM 1508 CD1 ILE X 90 91.648 2.962 -3.635 1.00 1.00 C ATOM 0 H ILE X 90 94.147 0.985 -5.393 1.00 1.00 H new ATOM 0 HA ILE X 90 94.082 3.285 -7.074 1.00 1.00 H new ATOM 0 HB ILE X 90 94.254 3.096 -4.034 1.00 1.00 H new ATOM 0 HG12 ILE X 90 91.749 3.143 -5.784 1.00 1.00 H new ATOM 0 HG13 ILE X 90 92.434 1.654 -5.162 1.00 1.00 H new ATOM 0 HG21 ILE X 90 92.979 5.237 -4.167 1.00 1.00 H new ATOM 0 HG22 ILE X 90 94.529 5.373 -5.030 1.00 1.00 H new ATOM 0 HG23 ILE X 90 93.019 5.149 -5.944 1.00 1.00 H new ATOM 0 HD11 ILE X 90 90.661 2.501 -3.652 1.00 1.00 H new ATOM 0 HD12 ILE X 90 92.241 2.522 -2.833 1.00 1.00 H new ATOM 0 HD13 ILE X 90 91.545 4.034 -3.464 1.00 1.00 H new ATOM 1520 N ASP X 91 96.753 2.759 -5.219 1.00 1.00 N ATOM 1521 CA ASP X 91 98.138 3.167 -5.006 1.00 1.00 C ATOM 1522 C ASP X 91 98.852 3.343 -6.345 1.00 1.00 C ATOM 1523 O ASP X 91 99.578 4.316 -6.544 1.00 1.00 O ATOM 1524 CB ASP X 91 98.874 2.108 -4.171 1.00 1.00 C ATOM 1525 CG ASP X 91 98.549 2.283 -2.687 1.00 1.00 C ATOM 1526 OD1 ASP X 91 97.914 3.270 -2.353 1.00 1.00 O ATOM 1527 OD2 ASP X 91 98.931 1.422 -1.912 1.00 1.00 O ATOM 0 H ASP X 91 96.464 1.941 -4.682 1.00 1.00 H new ATOM 0 HA ASP X 91 98.141 4.118 -4.473 1.00 1.00 H new ATOM 0 HB2 ASP X 91 98.583 1.110 -4.499 1.00 1.00 H new ATOM 0 HB3 ASP X 91 99.949 2.194 -4.328 1.00 1.00 H new ATOM 1532 N LYS X 92 98.636 2.406 -7.259 1.00 1.00 N ATOM 1533 CA LYS X 92 99.259 2.481 -8.579 1.00 1.00 C ATOM 1534 C LYS X 92 98.764 3.712 -9.335 1.00 1.00 C ATOM 1535 O LYS X 92 99.540 4.404 -9.995 1.00 1.00 O ATOM 1536 CB LYS X 92 98.921 1.225 -9.374 1.00 1.00 C ATOM 1537 CG LYS X 92 99.589 0.016 -8.712 1.00 1.00 C ATOM 1538 CD LYS X 92 99.086 -1.281 -9.357 1.00 1.00 C ATOM 1539 CE LYS X 92 99.297 -2.449 -8.395 1.00 1.00 C ATOM 1540 NZ LYS X 92 99.532 -3.696 -9.180 1.00 1.00 N ATOM 0 H LYS X 92 98.040 1.591 -7.115 1.00 1.00 H new ATOM 0 HA LYS X 92 100.339 2.558 -8.453 1.00 1.00 H new ATOM 0 HB2 LYS X 92 97.841 1.084 -9.412 1.00 1.00 H new ATOM 0 HB3 LYS X 92 99.265 1.328 -10.403 1.00 1.00 H new ATOM 0 HG2 LYS X 92 100.672 0.087 -8.815 1.00 1.00 H new ATOM 0 HG3 LYS X 92 99.370 0.009 -7.644 1.00 1.00 H new ATOM 0 HD2 LYS X 92 98.029 -1.189 -9.606 1.00 1.00 H new ATOM 0 HD3 LYS X 92 99.618 -1.465 -10.290 1.00 1.00 H new ATOM 0 HE2 LYS X 92 100.148 -2.250 -7.743 1.00 1.00 H new ATOM 0 HE3 LYS X 92 98.425 -2.569 -7.753 1.00 1.00 H new ATOM 0 HZ1 LYS X 92 99.676 -4.494 -8.529 1.00 1.00 H new ATOM 0 HZ2 LYS X 92 98.707 -3.887 -9.784 1.00 1.00 H new ATOM 0 HZ3 LYS X 92 100.377 -3.578 -9.775 1.00 1.00 H new ATOM 1554 N LYS X 93 97.464 3.975 -9.237 1.00 1.00 N ATOM 1555 CA LYS X 93 96.867 5.128 -9.920 1.00 1.00 C ATOM 1556 C LYS X 93 97.321 6.424 -9.266 1.00 1.00 C ATOM 1557 O LYS X 93 97.357 6.539 -8.042 1.00 1.00 O ATOM 1558 CB LYS X 93 95.340 5.047 -9.880 1.00 1.00 C ATOM 1559 CG LYS X 93 94.879 3.773 -10.598 1.00 1.00 C ATOM 1560 CD LYS X 93 93.350 3.733 -10.637 1.00 1.00 C ATOM 1561 CE LYS X 93 92.888 2.478 -11.382 1.00 1.00 C ATOM 1562 NZ LYS X 93 91.399 2.440 -11.414 1.00 1.00 N ATOM 0 H LYS X 93 96.805 3.413 -8.697 1.00 1.00 H new ATOM 0 HA LYS X 93 97.197 5.113 -10.959 1.00 1.00 H new ATOM 0 HB2 LYS X 93 94.992 5.042 -8.847 1.00 1.00 H new ATOM 0 HB3 LYS X 93 94.906 5.925 -10.358 1.00 1.00 H new ATOM 0 HG2 LYS X 93 95.280 3.749 -11.611 1.00 1.00 H new ATOM 0 HG3 LYS X 93 95.263 2.893 -10.082 1.00 1.00 H new ATOM 0 HD2 LYS X 93 92.950 3.734 -9.623 1.00 1.00 H new ATOM 0 HD3 LYS X 93 92.965 4.625 -11.132 1.00 1.00 H new ATOM 0 HE2 LYS X 93 93.284 2.478 -12.397 1.00 1.00 H new ATOM 0 HE3 LYS X 93 93.275 1.586 -10.889 1.00 1.00 H new ATOM 0 HZ1 LYS X 93 91.084 1.588 -11.920 1.00 1.00 H new ATOM 0 HZ2 LYS X 93 91.031 2.421 -10.441 1.00 1.00 H new ATOM 0 HZ3 LYS X 93 91.041 3.285 -11.903 1.00 1.00 H new ATOM 1576 N GLU X 94 97.670 7.395 -10.099 1.00 1.00 N ATOM 1577 CA GLU X 94 98.129 8.688 -9.601 1.00 1.00 C ATOM 1578 C GLU X 94 96.978 9.682 -9.578 1.00 1.00 C ATOM 1579 O GLU X 94 97.131 10.813 -9.118 1.00 1.00 O ATOM 1580 CB GLU X 94 99.255 9.234 -10.483 1.00 1.00 C ATOM 1581 CG GLU X 94 100.484 8.331 -10.360 1.00 1.00 C ATOM 1582 CD GLU X 94 101.634 8.901 -11.186 1.00 1.00 C ATOM 1583 OE1 GLU X 94 101.490 10.006 -11.681 1.00 1.00 O ATOM 1584 OE2 GLU X 94 102.645 8.228 -11.300 1.00 1.00 O ATOM 0 H GLU X 94 97.645 7.315 -11.116 1.00 1.00 H new ATOM 0 HA GLU X 94 98.506 8.548 -8.588 1.00 1.00 H new ATOM 0 HB2 GLU X 94 98.928 9.281 -11.522 1.00 1.00 H new ATOM 0 HB3 GLU X 94 99.506 10.251 -10.182 1.00 1.00 H new ATOM 0 HG2 GLU X 94 100.782 8.248 -9.315 1.00 1.00 H new ATOM 0 HG3 GLU X 94 100.242 7.325 -10.703 1.00 1.00 H new ATOM 1591 N VAL X 95 95.825 9.253 -10.083 1.00 1.00 N ATOM 1592 CA VAL X 95 94.650 10.121 -10.115 1.00 1.00 C ATOM 1593 C VAL X 95 93.409 9.363 -9.654 1.00 1.00 C ATOM 1594 O VAL X 95 93.392 8.133 -9.638 1.00 1.00 O ATOM 1595 CB VAL X 95 94.430 10.651 -11.534 1.00 1.00 C ATOM 1596 CG1 VAL X 95 95.665 11.432 -11.987 1.00 1.00 C ATOM 1597 CG2 VAL X 95 94.190 9.478 -12.483 1.00 1.00 C ATOM 0 H VAL X 95 95.678 8.321 -10.472 1.00 1.00 H new ATOM 0 HA VAL X 95 94.822 10.958 -9.438 1.00 1.00 H new ATOM 0 HB VAL X 95 93.562 11.311 -11.545 1.00 1.00 H new ATOM 0 HG11 VAL X 95 95.507 11.809 -12.998 1.00 1.00 H new ATOM 0 HG12 VAL X 95 95.835 12.269 -11.310 1.00 1.00 H new ATOM 0 HG13 VAL X 95 96.535 10.775 -11.977 1.00 1.00 H new ATOM 0 HG21 VAL X 95 94.033 9.854 -13.494 1.00 1.00 H new ATOM 0 HG22 VAL X 95 95.057 8.818 -12.472 1.00 1.00 H new ATOM 0 HG23 VAL X 95 93.308 8.924 -12.161 1.00 1.00 H new ATOM 1607 N ASN X 96 92.370 10.104 -9.282 1.00 1.00 N ATOM 1608 CA ASN X 96 91.131 9.488 -8.824 1.00 1.00 C ATOM 1609 C ASN X 96 90.009 10.518 -8.767 1.00 1.00 C ATOM 1610 O ASN X 96 89.617 10.968 -7.691 1.00 1.00 O ATOM 1611 CB ASN X 96 91.330 8.876 -7.439 1.00 1.00 C ATOM 1612 CG ASN X 96 91.931 9.910 -6.494 1.00 1.00 C ATOM 1613 OD1 ASN X 96 92.926 10.553 -6.829 1.00 1.00 O ATOM 1614 ND2 ASN X 96 91.385 10.108 -5.326 1.00 1.00 N ATOM 0 H ASN X 96 92.361 11.124 -9.289 1.00 1.00 H new ATOM 0 HA ASN X 96 90.857 8.705 -9.531 1.00 1.00 H new ATOM 0 HB2 ASN X 96 90.376 8.524 -7.047 1.00 1.00 H new ATOM 0 HB3 ASN X 96 91.986 8.008 -7.507 1.00 1.00 H new ATOM 0 HD21 ASN X 96 91.782 10.797 -4.687 1.00 1.00 H new ATOM 0 HD22 ASN X 96 90.561 9.574 -5.051 1.00 1.00 H new ATOM 1621 N PRO X 97 89.491 10.890 -9.905 1.00 1.00 N ATOM 1622 CA PRO X 97 88.385 11.890 -10.009 1.00 1.00 C ATOM 1623 C PRO X 97 87.127 11.424 -9.282 1.00 1.00 C ATOM 1624 O PRO X 97 86.858 10.226 -9.197 1.00 1.00 O ATOM 1625 CB PRO X 97 88.135 12.013 -11.520 1.00 1.00 C ATOM 1626 CG PRO X 97 89.363 11.473 -12.171 1.00 1.00 C ATOM 1627 CD PRO X 97 89.904 10.405 -11.226 1.00 1.00 C ATOM 0 HA PRO X 97 88.648 12.840 -9.544 1.00 1.00 H new ATOM 0 HB2 PRO X 97 87.252 11.449 -11.819 1.00 1.00 H new ATOM 0 HB3 PRO X 97 87.963 13.051 -11.806 1.00 1.00 H new ATOM 0 HG2 PRO X 97 89.132 11.049 -13.148 1.00 1.00 H new ATOM 0 HG3 PRO X 97 90.099 12.261 -12.331 1.00 1.00 H new ATOM 0 HD2 PRO X 97 89.484 9.423 -11.444 1.00 1.00 H new ATOM 0 HD3 PRO X 97 90.987 10.312 -11.301 1.00 1.00 H new ATOM 1635 N GLN X 98 86.365 12.381 -8.755 1.00 1.00 N ATOM 1636 CA GLN X 98 85.139 12.060 -8.032 1.00 1.00 C ATOM 1637 C GLN X 98 83.974 12.895 -8.553 1.00 1.00 C ATOM 1638 O GLN X 98 84.163 14.013 -9.032 1.00 1.00 O ATOM 1639 CB GLN X 98 85.330 12.323 -6.539 1.00 1.00 C ATOM 1640 CG GLN X 98 86.352 11.336 -5.973 1.00 1.00 C ATOM 1641 CD GLN X 98 86.555 11.593 -4.483 1.00 1.00 C ATOM 1642 OE1 GLN X 98 85.894 12.457 -3.906 1.00 1.00 O ATOM 1643 NE2 GLN X 98 87.433 10.889 -3.822 1.00 1.00 N ATOM 0 H GLN X 98 86.574 13.378 -8.815 1.00 1.00 H new ATOM 0 HA GLN X 98 84.913 11.005 -8.189 1.00 1.00 H new ATOM 0 HB2 GLN X 98 85.670 13.346 -6.380 1.00 1.00 H new ATOM 0 HB3 GLN X 98 84.379 12.218 -6.016 1.00 1.00 H new ATOM 0 HG2 GLN X 98 86.009 10.314 -6.131 1.00 1.00 H new ATOM 0 HG3 GLN X 98 87.300 11.439 -6.501 1.00 1.00 H new ATOM 0 HE21 GLN X 98 87.979 10.174 -4.302 1.00 1.00 H new ATOM 0 HE22 GLN X 98 87.573 11.054 -2.825 1.00 1.00 H new ATOM 1652 N VAL X 99 82.768 12.342 -8.460 1.00 1.00 N ATOM 1653 CA VAL X 99 81.580 13.044 -8.930 1.00 1.00 C ATOM 1654 C VAL X 99 81.360 14.319 -8.123 1.00 1.00 C ATOM 1655 O VAL X 99 81.108 15.385 -8.686 1.00 1.00 O ATOM 1656 CB VAL X 99 80.355 12.138 -8.799 1.00 1.00 C ATOM 1657 CG1 VAL X 99 79.112 12.883 -9.290 1.00 1.00 C ATOM 1658 CG2 VAL X 99 80.558 10.872 -9.633 1.00 1.00 C ATOM 0 H VAL X 99 82.589 11.418 -8.067 1.00 1.00 H new ATOM 0 HA VAL X 99 81.726 13.310 -9.977 1.00 1.00 H new ATOM 0 HB VAL X 99 80.222 11.861 -7.753 1.00 1.00 H new ATOM 0 HG11 VAL X 99 78.240 12.236 -9.196 1.00 1.00 H new ATOM 0 HG12 VAL X 99 78.965 13.781 -8.689 1.00 1.00 H new ATOM 0 HG13 VAL X 99 79.245 13.164 -10.335 1.00 1.00 H new ATOM 0 HG21 VAL X 99 79.683 10.229 -9.537 1.00 1.00 H new ATOM 0 HG22 VAL X 99 80.696 11.144 -10.680 1.00 1.00 H new ATOM 0 HG23 VAL X 99 81.440 10.340 -9.277 1.00 1.00 H new ATOM 1668 N MET X 100 81.461 14.204 -6.802 1.00 1.00 N ATOM 1669 CA MET X 100 81.273 15.355 -5.927 1.00 1.00 C ATOM 1670 C MET X 100 80.115 16.220 -6.416 1.00 1.00 C ATOM 1671 O MET X 100 78.991 15.750 -6.371 1.00 1.00 O ATOM 1672 CB MET X 100 82.553 16.189 -5.881 1.00 1.00 C ATOM 1673 CG MET X 100 83.631 15.427 -5.108 1.00 1.00 C ATOM 1674 SD MET X 100 85.173 16.375 -5.131 1.00 1.00 S ATOM 1675 CE MET X 100 84.606 17.777 -4.135 1.00 1.00 C ATOM 1676 OXT MET X 100 80.372 17.339 -6.829 1.00 1.00 O ATOM 0 H MET X 100 81.671 13.331 -6.317 1.00 1.00 H new ATOM 0 HA MET X 100 81.040 14.992 -4.926 1.00 1.00 H new ATOM 0 HB2 MET X 100 82.898 16.402 -6.893 1.00 1.00 H new ATOM 0 HB3 MET X 100 82.357 17.149 -5.403 1.00 1.00 H new ATOM 0 HG2 MET X 100 83.308 15.262 -4.080 1.00 1.00 H new ATOM 0 HG3 MET X 100 83.788 14.445 -5.554 1.00 1.00 H new ATOM 0 HE1 MET X 100 85.462 18.251 -3.654 1.00 1.00 H new ATOM 0 HE2 MET X 100 84.104 18.500 -4.777 1.00 1.00 H new ATOM 0 HE3 MET X 100 83.911 17.424 -3.373 1.00 1.00 H new TER 1686 MET X 100