USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 989 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 SER OG : rot -152:sc= 0.901 USER MOD Set 1.2: A 92 TYR OH : rot 180:sc= -0.0954 USER MOD Set 2.1: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 53 TYR OH : rot 180:sc=-0.00574 USER MOD Single : A 1 GLN : amide:sc=-0.00133 X(o=-0.0013,f=-0.08) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.266 K(o=-0.27,f=-0.93!) USER MOD Single : A 8 GLN : amide:sc= -0.0642 X(o=-0.064,f=-0.33) USER MOD Single : A 10 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.14) USER MOD Single : A 12 SER OG : rot 180:sc= -1.06 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.251 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 17 ASN : amide:sc= -0.0943 X(o=-0.094,f=-0.11) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -131:sc= -0.0114 (180deg=-1.99!) USER MOD Single : A 25 LYS NZ :NH3+ -127:sc= -1.83 (180deg=-5.4!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc=-0.00286 K(o=-0.0029,f=-0.67) USER MOD Single : A 31 CYS SG : rot 75:sc= 0.25 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -4.3! C(o=-4.3!,f=-4.7!) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.561 K(o=-0.56,f=-2.2) USER MOD Single : A 40 SER OG : rot 46:sc= 1.01 USER MOD Single : A 46 ASN : amide:sc= -0.125 K(o=-0.12,f=-1.7) USER MOD Single : A 50 ASN : amide:sc= -1.1 K(o=-1.1,f=-8.9!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -1.59 X(o=-1.6,f=-1.7) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0395 USER MOD Single : A 71 GLN : amide:sc= -0.092 K(o=-0.092,f=-1.9!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0814 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.562 K(o=-0.56,f=-3.3) USER MOD Single : A 81 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.03) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 83:sc= 0.00427 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot -23:sc= 0.169 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -0.297 -0.339 -3.579 1.00 31.31 N ATOM 2 CA GLN A 1 -0.708 1.033 -3.850 1.00 42.32 C ATOM 3 C GLN A 1 -0.358 1.947 -2.680 1.00 55.34 C ATOM 4 O GLN A 1 -1.022 1.927 -1.644 1.00 74.30 O ATOM 5 CB GLN A 1 -2.211 1.093 -4.128 1.00 61.21 C ATOM 6 CG GLN A 1 -2.567 0.894 -5.593 1.00 11.34 C ATOM 7 CD GLN A 1 -3.374 -0.366 -5.831 1.00 74.51 C ATOM 8 OE1 GLN A 1 -4.398 -0.593 -5.186 1.00 34.10 O ATOM 9 NE2 GLN A 1 -2.917 -1.196 -6.762 1.00 42.50 N ATOM 0 H1 GLN A 1 -0.545 -0.942 -4.389 1.00 31.31 H new ATOM 0 H2 GLN A 1 0.731 -0.370 -3.427 1.00 31.31 H new ATOM 0 H3 GLN A 1 -0.783 -0.685 -2.727 1.00 31.31 H new ATOM 0 HA GLN A 1 -0.169 1.379 -4.732 1.00 42.32 H new ATOM 0 HB2 GLN A 1 -2.713 0.329 -3.534 1.00 61.21 H new ATOM 0 HB3 GLN A 1 -2.595 2.058 -3.797 1.00 61.21 H new ATOM 0 HG2 GLN A 1 -3.134 1.756 -5.946 1.00 11.34 H new ATOM 0 HG3 GLN A 1 -1.651 0.851 -6.183 1.00 11.34 H new ATOM 0 HE21 GLN A 1 -2.064 -0.969 -7.273 1.00 42.50 H new ATOM 0 HE22 GLN A 1 -3.419 -2.060 -6.966 1.00 42.50 H new ATOM 18 N SER A 2 0.688 2.748 -2.854 1.00 0.34 N ATOM 19 CA SER A 2 1.128 3.667 -1.810 1.00 43.14 C ATOM 20 C SER A 2 1.420 5.048 -2.390 1.00 74.02 C ATOM 21 O SER A 2 2.294 5.766 -1.905 1.00 4.45 O ATOM 22 CB SER A 2 2.376 3.121 -1.113 1.00 72.23 C ATOM 23 OG SER A 2 2.295 1.715 -0.952 1.00 44.21 O ATOM 0 H SER A 2 1.246 2.780 -3.707 1.00 0.34 H new ATOM 0 HA SER A 2 0.324 3.760 -1.080 1.00 43.14 H new ATOM 0 HB2 SER A 2 3.262 3.373 -1.696 1.00 72.23 H new ATOM 0 HB3 SER A 2 2.490 3.596 -0.139 1.00 72.23 H new ATOM 0 HG SER A 2 3.105 1.390 -0.506 1.00 44.21 H new ATOM 29 N LEU A 3 0.681 5.413 -3.432 1.00 74.10 N ATOM 30 CA LEU A 3 0.858 6.708 -4.080 1.00 20.11 C ATOM 31 C LEU A 3 -0.258 6.971 -5.085 1.00 52.34 C ATOM 32 O LEU A 3 -0.614 6.098 -5.876 1.00 4.22 O ATOM 33 CB LEU A 3 2.216 6.768 -4.781 1.00 62.41 C ATOM 34 CG LEU A 3 3.256 7.696 -4.152 1.00 61.42 C ATOM 35 CD1 LEU A 3 4.480 6.907 -3.715 1.00 25.23 C ATOM 36 CD2 LEU A 3 3.649 8.796 -5.128 1.00 33.52 C ATOM 0 H LEU A 3 -0.047 4.830 -3.846 1.00 74.10 H new ATOM 0 HA LEU A 3 0.818 7.480 -3.311 1.00 20.11 H new ATOM 0 HB2 LEU A 3 2.630 5.760 -4.814 1.00 62.41 H new ATOM 0 HB3 LEU A 3 2.056 7.081 -5.813 1.00 62.41 H new ATOM 0 HG LEU A 3 2.814 8.161 -3.270 1.00 61.42 H new ATOM 0 HD11 LEU A 3 5.209 7.584 -3.270 1.00 25.23 H new ATOM 0 HD12 LEU A 3 4.186 6.156 -2.981 1.00 25.23 H new ATOM 0 HD13 LEU A 3 4.923 6.414 -4.580 1.00 25.23 H new ATOM 0 HD21 LEU A 3 4.390 9.447 -4.664 1.00 33.52 H new ATOM 0 HD22 LEU A 3 4.072 8.350 -6.028 1.00 33.52 H new ATOM 0 HD23 LEU A 3 2.767 9.380 -5.392 1.00 33.52 H new ATOM 48 N ASN A 4 -0.806 8.182 -5.050 1.00 62.24 N ATOM 49 CA ASN A 4 -1.881 8.561 -5.960 1.00 2.00 C ATOM 50 C ASN A 4 -1.417 8.485 -7.412 1.00 34.14 C ATOM 51 O ASN A 4 -0.225 8.549 -7.713 1.00 14.31 O ATOM 52 CB ASN A 4 -2.370 9.975 -5.643 1.00 14.53 C ATOM 53 CG ASN A 4 -1.228 10.936 -5.374 1.00 40.14 C ATOM 54 OD1 ASN A 4 -0.245 10.971 -6.114 1.00 64.33 O ATOM 55 ND2 ASN A 4 -1.353 11.722 -4.311 1.00 72.13 N ATOM 0 H ASN A 4 -0.523 8.917 -4.402 1.00 62.24 H new ATOM 0 HA ASN A 4 -2.704 7.859 -5.823 1.00 2.00 H new ATOM 0 HB2 ASN A 4 -2.965 10.346 -6.478 1.00 14.53 H new ATOM 0 HB3 ASN A 4 -3.026 9.943 -4.773 1.00 14.53 H new ATOM 0 HD21 ASN A 4 -0.616 12.389 -4.080 1.00 72.13 H new ATOM 0 HD22 ASN A 4 -2.186 11.659 -3.725 1.00 72.13 H new ATOM 62 N PRO A 5 -2.381 8.345 -8.334 1.00 13.22 N ATOM 63 CA PRO A 5 -2.097 8.259 -9.769 1.00 62.53 C ATOM 64 C PRO A 5 -1.604 9.582 -10.343 1.00 44.24 C ATOM 65 O PRO A 5 -0.850 9.605 -11.316 1.00 2.31 O ATOM 66 CB PRO A 5 -3.451 7.883 -10.377 1.00 43.41 C ATOM 67 CG PRO A 5 -4.457 8.392 -9.404 1.00 10.14 C ATOM 68 CD PRO A 5 -3.823 8.262 -8.046 1.00 71.43 C ATOM 0 HA PRO A 5 -1.304 7.543 -9.985 1.00 62.53 H new ATOM 0 HB2 PRO A 5 -3.584 8.338 -11.359 1.00 43.41 H new ATOM 0 HB3 PRO A 5 -3.539 6.805 -10.510 1.00 43.41 H new ATOM 0 HG2 PRO A 5 -4.715 9.429 -9.616 1.00 10.14 H new ATOM 0 HG3 PRO A 5 -5.381 7.816 -9.460 1.00 10.14 H new ATOM 0 HD2 PRO A 5 -4.145 9.058 -7.374 1.00 71.43 H new ATOM 0 HD3 PRO A 5 -4.084 7.317 -7.569 1.00 71.43 H new ATOM 76 N ALA A 6 -2.034 10.683 -9.735 1.00 64.20 N ATOM 77 CA ALA A 6 -1.633 12.010 -10.185 1.00 13.24 C ATOM 78 C ALA A 6 -1.914 12.194 -11.672 1.00 64.33 C ATOM 79 O ALA A 6 -1.168 12.878 -12.375 1.00 74.33 O ATOM 80 CB ALA A 6 -0.159 12.245 -9.891 1.00 20.25 C ATOM 0 H ALA A 6 -2.660 10.682 -8.930 1.00 64.20 H new ATOM 0 HA ALA A 6 -2.223 12.745 -9.637 1.00 13.24 H new ATOM 0 HB1 ALA A 6 0.126 13.240 -10.233 1.00 20.25 H new ATOM 0 HB2 ALA A 6 0.015 12.166 -8.818 1.00 20.25 H new ATOM 0 HB3 ALA A 6 0.440 11.497 -10.412 1.00 20.25 H new ATOM 86 N LEU A 7 -2.991 11.579 -12.147 1.00 32.44 N ATOM 87 CA LEU A 7 -3.370 11.674 -13.552 1.00 61.42 C ATOM 88 C LEU A 7 -4.561 12.610 -13.733 1.00 63.53 C ATOM 89 O LEU A 7 -4.593 13.414 -14.664 1.00 11.21 O ATOM 90 CB LEU A 7 -3.707 10.288 -14.105 1.00 33.33 C ATOM 91 CG LEU A 7 -2.515 9.404 -14.474 1.00 74.11 C ATOM 92 CD1 LEU A 7 -2.866 7.934 -14.301 1.00 14.45 C ATOM 93 CD2 LEU A 7 -2.067 9.682 -15.902 1.00 15.14 C ATOM 0 H LEU A 7 -3.618 11.009 -11.579 1.00 32.44 H new ATOM 0 HA LEU A 7 -2.524 12.082 -14.104 1.00 61.42 H new ATOM 0 HB2 LEU A 7 -4.310 9.761 -13.366 1.00 33.33 H new ATOM 0 HB3 LEU A 7 -4.328 10.414 -14.992 1.00 33.33 H new ATOM 0 HG LEU A 7 -1.690 9.641 -13.802 1.00 74.11 H new ATOM 0 HD11 LEU A 7 -2.006 7.321 -14.568 1.00 14.45 H new ATOM 0 HD12 LEU A 7 -3.138 7.745 -13.263 1.00 14.45 H new ATOM 0 HD13 LEU A 7 -3.706 7.682 -14.948 1.00 14.45 H new ATOM 0 HD21 LEU A 7 -1.218 9.044 -16.148 1.00 15.14 H new ATOM 0 HD22 LEU A 7 -2.888 9.473 -16.588 1.00 15.14 H new ATOM 0 HD23 LEU A 7 -1.774 10.728 -15.994 1.00 15.14 H new ATOM 105 N GLN A 8 -5.535 12.499 -12.837 1.00 34.05 N ATOM 106 CA GLN A 8 -6.727 13.337 -12.897 1.00 72.22 C ATOM 107 C GLN A 8 -7.131 13.811 -11.505 1.00 21.20 C ATOM 108 O GLN A 8 -8.315 13.857 -11.174 1.00 72.35 O ATOM 109 CB GLN A 8 -7.883 12.570 -13.543 1.00 2.40 C ATOM 110 CG GLN A 8 -7.791 12.495 -15.059 1.00 32.05 C ATOM 111 CD GLN A 8 -7.556 11.084 -15.559 1.00 72.45 C ATOM 112 OE1 GLN A 8 -8.185 10.134 -15.092 1.00 21.32 O ATOM 113 NE2 GLN A 8 -6.647 10.938 -16.516 1.00 50.54 N ATOM 0 H GLN A 8 -5.523 11.837 -12.061 1.00 34.05 H new ATOM 0 HA GLN A 8 -6.495 14.211 -13.505 1.00 72.22 H new ATOM 0 HB2 GLN A 8 -7.908 11.558 -13.138 1.00 2.40 H new ATOM 0 HB3 GLN A 8 -8.824 13.047 -13.267 1.00 2.40 H new ATOM 0 HG2 GLN A 8 -8.712 12.882 -15.495 1.00 32.05 H new ATOM 0 HG3 GLN A 8 -6.981 13.138 -15.402 1.00 32.05 H new ATOM 0 HE21 GLN A 8 -6.149 11.753 -16.875 1.00 50.54 H new ATOM 0 HE22 GLN A 8 -6.447 10.011 -16.893 1.00 50.54 H new ATOM 122 N GLU A 9 -6.138 14.162 -10.694 1.00 30.24 N ATOM 123 CA GLU A 9 -6.391 14.631 -9.336 1.00 71.04 C ATOM 124 C GLU A 9 -6.183 16.139 -9.234 1.00 43.24 C ATOM 125 O GLU A 9 -5.712 16.645 -8.216 1.00 1.34 O ATOM 126 CB GLU A 9 -5.475 13.910 -8.345 1.00 14.43 C ATOM 127 CG GLU A 9 -5.454 12.401 -8.521 1.00 55.45 C ATOM 128 CD GLU A 9 -5.324 11.661 -7.204 1.00 41.53 C ATOM 129 OE1 GLU A 9 -4.668 12.195 -6.286 1.00 11.43 O ATOM 130 OE2 GLU A 9 -5.878 10.548 -7.093 1.00 34.13 O ATOM 0 H GLU A 9 -5.152 14.131 -10.953 1.00 30.24 H new ATOM 0 HA GLU A 9 -7.429 14.407 -9.089 1.00 71.04 H new ATOM 0 HB2 GLU A 9 -4.461 14.294 -8.455 1.00 14.43 H new ATOM 0 HB3 GLU A 9 -5.796 14.144 -7.330 1.00 14.43 H new ATOM 0 HG2 GLU A 9 -6.369 12.085 -9.022 1.00 55.45 H new ATOM 0 HG3 GLU A 9 -4.623 12.126 -9.171 1.00 55.45 H new ATOM 137 N LYS A 10 -6.536 16.853 -10.298 1.00 73.42 N ATOM 138 CA LYS A 10 -6.390 18.303 -10.331 1.00 24.14 C ATOM 139 C LYS A 10 -7.171 18.954 -9.194 1.00 53.33 C ATOM 140 O LYS A 10 -8.383 19.151 -9.295 1.00 22.32 O ATOM 141 CB LYS A 10 -6.869 18.855 -11.675 1.00 62.43 C ATOM 142 CG LYS A 10 -6.188 18.215 -12.873 1.00 21.43 C ATOM 143 CD LYS A 10 -5.172 19.152 -13.504 1.00 12.34 C ATOM 144 CE LYS A 10 -3.939 19.309 -12.628 1.00 23.15 C ATOM 145 NZ LYS A 10 -3.979 20.568 -11.833 1.00 30.31 N ATOM 0 H LYS A 10 -6.926 16.450 -11.150 1.00 73.42 H new ATOM 0 HA LYS A 10 -5.333 18.539 -10.205 1.00 24.14 H new ATOM 0 HB2 LYS A 10 -7.946 18.705 -11.757 1.00 62.43 H new ATOM 0 HB3 LYS A 10 -6.694 19.931 -11.700 1.00 62.43 H new ATOM 0 HG2 LYS A 10 -5.692 17.295 -12.562 1.00 21.43 H new ATOM 0 HG3 LYS A 10 -6.938 17.938 -13.614 1.00 21.43 H new ATOM 0 HD2 LYS A 10 -4.879 18.768 -14.481 1.00 12.34 H new ATOM 0 HD3 LYS A 10 -5.629 20.128 -13.669 1.00 12.34 H new ATOM 0 HE2 LYS A 10 -3.862 18.456 -11.954 1.00 23.15 H new ATOM 0 HE3 LYS A 10 -3.046 19.303 -13.253 1.00 23.15 H new ATOM 0 HZ1 LYS A 10 -3.041 20.750 -11.423 1.00 30.31 H new ATOM 0 HZ2 LYS A 10 -4.246 21.361 -12.451 1.00 30.31 H new ATOM 0 HZ3 LYS A 10 -4.678 20.474 -11.069 1.00 30.31 H new ATOM 159 N ILE A 11 -6.471 19.288 -8.116 1.00 2.23 N ATOM 160 CA ILE A 11 -7.100 19.920 -6.962 1.00 64.14 C ATOM 161 C ILE A 11 -7.158 21.434 -7.129 1.00 52.52 C ATOM 162 O ILE A 11 -6.183 22.062 -7.542 1.00 0.11 O ATOM 163 CB ILE A 11 -6.349 19.587 -5.659 1.00 71.24 C ATOM 164 CG1 ILE A 11 -7.099 20.156 -4.453 1.00 74.14 C ATOM 165 CG2 ILE A 11 -4.929 20.131 -5.712 1.00 14.11 C ATOM 166 CD1 ILE A 11 -8.512 19.632 -4.318 1.00 62.31 C ATOM 0 H ILE A 11 -5.468 19.132 -8.017 1.00 2.23 H new ATOM 0 HA ILE A 11 -8.114 19.524 -6.899 1.00 64.14 H new ATOM 0 HB ILE A 11 -6.298 18.503 -5.553 1.00 71.24 H new ATOM 0 HG12 ILE A 11 -6.544 19.919 -3.545 1.00 74.14 H new ATOM 0 HG13 ILE A 11 -7.129 21.243 -4.534 1.00 74.14 H new ATOM 0 HG21 ILE A 11 -4.411 19.888 -4.784 1.00 14.11 H new ATOM 0 HG22 ILE A 11 -4.399 19.682 -6.552 1.00 14.11 H new ATOM 0 HG23 ILE A 11 -4.958 21.213 -5.838 1.00 14.11 H new ATOM 0 HD11 ILE A 11 -8.983 20.078 -3.442 1.00 62.31 H new ATOM 0 HD12 ILE A 11 -9.083 19.892 -5.209 1.00 62.31 H new ATOM 0 HD13 ILE A 11 -8.489 18.548 -4.205 1.00 62.31 H new ATOM 178 N SER A 12 -8.308 22.016 -6.804 1.00 12.13 N ATOM 179 CA SER A 12 -8.495 23.458 -6.919 1.00 73.32 C ATOM 180 C SER A 12 -8.427 23.899 -8.378 1.00 51.20 C ATOM 181 O SER A 12 -7.382 23.798 -9.022 1.00 73.11 O ATOM 182 CB SER A 12 -7.436 24.198 -6.100 1.00 71.14 C ATOM 183 OG SER A 12 -7.145 23.506 -4.898 1.00 55.32 O ATOM 0 H SER A 12 -9.124 21.511 -6.459 1.00 12.13 H new ATOM 0 HA SER A 12 -9.482 23.704 -6.529 1.00 73.32 H new ATOM 0 HB2 SER A 12 -6.526 24.307 -6.690 1.00 71.14 H new ATOM 0 HB3 SER A 12 -7.788 25.203 -5.868 1.00 71.14 H new ATOM 0 HG SER A 12 -6.464 23.998 -4.394 1.00 55.32 H new ATOM 189 N THR A 13 -9.549 24.390 -8.894 1.00 55.24 N ATOM 190 CA THR A 13 -9.619 24.846 -10.277 1.00 12.52 C ATOM 191 C THR A 13 -9.450 26.359 -10.366 1.00 23.22 C ATOM 192 O THR A 13 -8.428 26.850 -10.843 1.00 44.32 O ATOM 193 CB THR A 13 -10.956 24.452 -10.932 1.00 33.31 C ATOM 194 OG1 THR A 13 -11.087 23.026 -10.957 1.00 54.01 O ATOM 195 CG2 THR A 13 -11.048 25.000 -12.348 1.00 65.41 C ATOM 0 H THR A 13 -10.422 24.482 -8.375 1.00 55.24 H new ATOM 0 HA THR A 13 -8.803 24.359 -10.812 1.00 12.52 H new ATOM 0 HB THR A 13 -11.765 24.881 -10.341 1.00 33.31 H new ATOM 0 HG1 THR A 13 -11.940 22.783 -11.373 1.00 54.01 H new ATOM 0 HG21 THR A 13 -12.001 24.709 -12.790 1.00 65.41 H new ATOM 0 HG22 THR A 13 -10.977 26.087 -12.323 1.00 65.41 H new ATOM 0 HG23 THR A 13 -10.232 24.597 -12.948 1.00 65.41 H new ATOM 203 N GLU A 14 -10.458 27.091 -9.903 1.00 2.04 N ATOM 204 CA GLU A 14 -10.419 28.548 -9.931 1.00 4.42 C ATOM 205 C GLU A 14 -9.999 29.108 -8.575 1.00 23.24 C ATOM 206 O GLU A 14 -9.989 30.322 -8.367 1.00 33.12 O ATOM 207 CB GLU A 14 -11.786 29.110 -10.325 1.00 73.01 C ATOM 208 CG GLU A 14 -11.920 29.401 -11.810 1.00 64.25 C ATOM 209 CD GLU A 14 -11.063 30.571 -12.255 1.00 74.30 C ATOM 210 OE1 GLU A 14 -10.983 31.565 -11.504 1.00 52.51 O ATOM 211 OE2 GLU A 14 -10.474 30.492 -13.353 1.00 51.00 O ATOM 0 H GLU A 14 -11.311 26.699 -9.504 1.00 2.04 H new ATOM 0 HA GLU A 14 -9.681 28.851 -10.674 1.00 4.42 H new ATOM 0 HB2 GLU A 14 -12.559 28.400 -10.031 1.00 73.01 H new ATOM 0 HB3 GLU A 14 -11.967 30.028 -9.766 1.00 73.01 H new ATOM 0 HG2 GLU A 14 -11.639 28.513 -12.377 1.00 64.25 H new ATOM 0 HG3 GLU A 14 -12.964 29.611 -12.043 1.00 64.25 H new ATOM 218 N LEU A 15 -9.653 28.214 -7.654 1.00 44.44 N ATOM 219 CA LEU A 15 -9.232 28.617 -6.317 1.00 1.31 C ATOM 220 C LEU A 15 -10.437 28.969 -5.450 1.00 24.31 C ATOM 221 O LEU A 15 -10.310 29.155 -4.241 1.00 1.34 O ATOM 222 CB LEU A 15 -8.282 29.813 -6.398 1.00 45.14 C ATOM 223 CG LEU A 15 -7.161 29.852 -5.359 1.00 22.11 C ATOM 224 CD1 LEU A 15 -6.035 28.908 -5.752 1.00 32.10 C ATOM 225 CD2 LEU A 15 -6.636 31.271 -5.193 1.00 71.31 C ATOM 0 H LEU A 15 -9.656 27.206 -7.809 1.00 44.44 H new ATOM 0 HA LEU A 15 -8.710 27.777 -5.859 1.00 1.31 H new ATOM 0 HB2 LEU A 15 -7.831 29.827 -7.390 1.00 45.14 H new ATOM 0 HB3 LEU A 15 -8.870 30.726 -6.303 1.00 45.14 H new ATOM 0 HG LEU A 15 -7.567 29.522 -4.403 1.00 22.11 H new ATOM 0 HD11 LEU A 15 -5.246 28.950 -5.001 1.00 32.10 H new ATOM 0 HD12 LEU A 15 -6.420 27.890 -5.818 1.00 32.10 H new ATOM 0 HD13 LEU A 15 -5.631 29.207 -6.719 1.00 32.10 H new ATOM 0 HD21 LEU A 15 -5.839 31.279 -4.450 1.00 71.31 H new ATOM 0 HD22 LEU A 15 -6.247 31.629 -6.146 1.00 71.31 H new ATOM 0 HD23 LEU A 15 -7.446 31.922 -4.864 1.00 71.31 H new ATOM 237 N ASN A 16 -11.605 29.055 -6.077 1.00 13.21 N ATOM 238 CA ASN A 16 -12.834 29.382 -5.362 1.00 43.41 C ATOM 239 C ASN A 16 -13.601 28.117 -4.991 1.00 23.12 C ATOM 240 O ASN A 16 -14.077 27.975 -3.865 1.00 44.32 O ATOM 241 CB ASN A 16 -13.717 30.296 -6.215 1.00 22.41 C ATOM 242 CG ASN A 16 -14.255 31.477 -5.430 1.00 65.25 C ATOM 243 OD1 ASN A 16 -13.491 32.276 -4.889 1.00 23.03 O ATOM 244 ND2 ASN A 16 -15.576 31.592 -5.366 1.00 61.03 N ATOM 0 H ASN A 16 -11.727 28.903 -7.078 1.00 13.21 H new ATOM 0 HA ASN A 16 -12.563 29.903 -4.444 1.00 43.41 H new ATOM 0 HB2 ASN A 16 -13.142 30.661 -7.066 1.00 22.41 H new ATOM 0 HB3 ASN A 16 -14.551 29.720 -6.616 1.00 22.41 H new ATOM 0 HD21 ASN A 16 -15.996 32.367 -4.853 1.00 61.03 H new ATOM 0 HD22 ASN A 16 -16.171 30.906 -5.830 1.00 61.03 H new ATOM 251 N ASN A 17 -13.715 27.199 -5.946 1.00 15.54 N ATOM 252 CA ASN A 17 -14.424 25.945 -5.719 1.00 54.32 C ATOM 253 C ASN A 17 -13.573 24.979 -4.902 1.00 65.30 C ATOM 254 O ASN A 17 -14.090 24.050 -4.281 1.00 2.01 O ATOM 255 CB ASN A 17 -14.806 25.303 -7.054 1.00 70.23 C ATOM 256 CG ASN A 17 -15.217 26.329 -8.093 1.00 30.51 C ATOM 257 OD1 ASN A 17 -16.054 27.193 -7.831 1.00 24.22 O ATOM 258 ND2 ASN A 17 -14.629 26.237 -9.280 1.00 21.30 N ATOM 0 H ASN A 17 -13.326 27.300 -6.883 1.00 15.54 H new ATOM 0 HA ASN A 17 -15.331 26.166 -5.157 1.00 54.32 H new ATOM 0 HB2 ASN A 17 -13.962 24.726 -7.431 1.00 70.23 H new ATOM 0 HB3 ASN A 17 -15.626 24.602 -6.896 1.00 70.23 H new ATOM 0 HD21 ASN A 17 -14.866 26.899 -10.019 1.00 21.30 H new ATOM 0 HD22 ASN A 17 -13.941 25.504 -9.453 1.00 21.30 H new ATOM 265 N LYS A 18 -12.263 25.204 -4.907 1.00 30.15 N ATOM 266 CA LYS A 18 -11.338 24.355 -4.165 1.00 2.51 C ATOM 267 C LYS A 18 -11.775 24.215 -2.710 1.00 42.33 C ATOM 268 O LYS A 18 -11.562 23.176 -2.087 1.00 21.21 O ATOM 269 CB LYS A 18 -9.922 24.932 -4.230 1.00 25.33 C ATOM 270 CG LYS A 18 -9.721 26.153 -3.350 1.00 0.25 C ATOM 271 CD LYS A 18 -9.190 25.771 -1.978 1.00 50.20 C ATOM 272 CE LYS A 18 -9.820 26.616 -0.881 1.00 72.23 C ATOM 273 NZ LYS A 18 -9.031 27.849 -0.609 1.00 14.24 N ATOM 0 H LYS A 18 -11.818 25.967 -5.417 1.00 30.15 H new ATOM 0 HA LYS A 18 -11.343 23.366 -4.624 1.00 2.51 H new ATOM 0 HB2 LYS A 18 -9.211 24.161 -3.935 1.00 25.33 H new ATOM 0 HB3 LYS A 18 -9.694 25.197 -5.262 1.00 25.33 H new ATOM 0 HG2 LYS A 18 -9.025 26.839 -3.832 1.00 0.25 H new ATOM 0 HG3 LYS A 18 -10.667 26.683 -3.240 1.00 0.25 H new ATOM 0 HD2 LYS A 18 -9.393 24.717 -1.789 1.00 50.20 H new ATOM 0 HD3 LYS A 18 -8.107 25.896 -1.958 1.00 50.20 H new ATOM 0 HE2 LYS A 18 -10.834 26.890 -1.171 1.00 72.23 H new ATOM 0 HE3 LYS A 18 -9.898 26.026 0.032 1.00 72.23 H new ATOM 0 HZ1 LYS A 18 -9.493 28.398 0.144 1.00 14.24 H new ATOM 0 HZ2 LYS A 18 -8.071 27.587 -0.308 1.00 14.24 H new ATOM 0 HZ3 LYS A 18 -8.978 28.425 -1.473 1.00 14.24 H new ATOM 287 N GLN A 19 -12.388 25.267 -2.177 1.00 44.32 N ATOM 288 CA GLN A 19 -12.855 25.260 -0.796 1.00 60.30 C ATOM 289 C GLN A 19 -14.014 24.284 -0.619 1.00 2.21 C ATOM 290 O GLN A 19 -14.041 23.503 0.332 1.00 23.33 O ATOM 291 CB GLN A 19 -13.287 26.665 -0.374 1.00 3.13 C ATOM 292 CG GLN A 19 -12.960 26.992 1.074 1.00 13.44 C ATOM 293 CD GLN A 19 -13.414 28.382 1.475 1.00 12.22 C ATOM 294 OE1 GLN A 19 -14.606 28.629 1.663 1.00 61.41 O ATOM 295 NE2 GLN A 19 -12.464 29.300 1.609 1.00 41.12 N ATOM 0 H GLN A 19 -12.573 26.135 -2.680 1.00 44.32 H new ATOM 0 HA GLN A 19 -12.030 24.936 -0.161 1.00 60.30 H new ATOM 0 HB2 GLN A 19 -12.802 27.395 -1.021 1.00 3.13 H new ATOM 0 HB3 GLN A 19 -14.361 26.767 -0.527 1.00 3.13 H new ATOM 0 HG2 GLN A 19 -13.434 26.257 1.725 1.00 13.44 H new ATOM 0 HG3 GLN A 19 -11.884 26.907 1.228 1.00 13.44 H new ATOM 0 HE21 GLN A 19 -11.488 29.052 1.444 1.00 41.12 H new ATOM 0 HE22 GLN A 19 -12.710 30.253 1.877 1.00 41.12 H new ATOM 304 N TYR A 20 -14.970 24.335 -1.540 1.00 5.31 N ATOM 305 CA TYR A 20 -16.133 23.458 -1.484 1.00 2.01 C ATOM 306 C TYR A 20 -15.743 22.016 -1.793 1.00 61.14 C ATOM 307 O TYR A 20 -16.145 21.089 -1.091 1.00 71.12 O ATOM 308 CB TYR A 20 -17.203 23.931 -2.469 1.00 42.51 C ATOM 309 CG TYR A 20 -17.867 25.228 -2.065 1.00 33.15 C ATOM 310 CD1 TYR A 20 -17.252 26.451 -2.301 1.00 64.33 C ATOM 311 CD2 TYR A 20 -19.112 25.230 -1.446 1.00 63.12 C ATOM 312 CE1 TYR A 20 -17.855 27.637 -1.933 1.00 1.45 C ATOM 313 CE2 TYR A 20 -19.723 26.412 -1.075 1.00 71.03 C ATOM 314 CZ TYR A 20 -19.091 27.613 -1.320 1.00 65.11 C ATOM 315 OH TYR A 20 -19.695 28.793 -0.953 1.00 14.04 O ATOM 0 H TYR A 20 -14.962 24.975 -2.334 1.00 5.31 H new ATOM 0 HA TYR A 20 -16.537 23.497 -0.473 1.00 2.01 H new ATOM 0 HB2 TYR A 20 -16.750 24.056 -3.453 1.00 42.51 H new ATOM 0 HB3 TYR A 20 -17.965 23.157 -2.565 1.00 42.51 H new ATOM 0 HD1 TYR A 20 -16.285 26.474 -2.781 1.00 64.33 H new ATOM 0 HD2 TYR A 20 -19.610 24.291 -1.252 1.00 63.12 H new ATOM 0 HE1 TYR A 20 -17.362 28.579 -2.124 1.00 1.45 H new ATOM 0 HE2 TYR A 20 -20.691 26.396 -0.596 1.00 71.03 H new ATOM 0 HH TYR A 20 -20.560 28.601 -0.535 1.00 14.04 H new ATOM 325 N GLU A 21 -14.956 21.836 -2.850 1.00 12.11 N ATOM 326 CA GLU A 21 -14.512 20.507 -3.253 1.00 44.21 C ATOM 327 C GLU A 21 -13.682 19.853 -2.151 1.00 54.45 C ATOM 328 O GLU A 21 -13.880 18.683 -1.822 1.00 4.12 O ATOM 329 CB GLU A 21 -13.692 20.589 -4.543 1.00 34.31 C ATOM 330 CG GLU A 21 -14.523 20.413 -5.803 1.00 64.13 C ATOM 331 CD GLU A 21 -15.173 21.705 -6.258 1.00 73.11 C ATOM 332 OE1 GLU A 21 -15.906 22.317 -5.453 1.00 23.42 O ATOM 333 OE2 GLU A 21 -14.949 22.104 -7.420 1.00 55.02 O ATOM 0 H GLU A 21 -14.614 22.593 -3.442 1.00 12.11 H new ATOM 0 HA GLU A 21 -15.396 19.895 -3.430 1.00 44.21 H new ATOM 0 HB2 GLU A 21 -13.187 21.554 -4.582 1.00 34.31 H new ATOM 0 HB3 GLU A 21 -12.916 19.824 -4.520 1.00 34.31 H new ATOM 0 HG2 GLU A 21 -13.888 20.029 -6.602 1.00 64.13 H new ATOM 0 HG3 GLU A 21 -15.296 19.666 -5.623 1.00 64.13 H new ATOM 340 N LEU A 22 -12.754 20.617 -1.586 1.00 62.12 N ATOM 341 CA LEU A 22 -11.893 20.113 -0.522 1.00 11.05 C ATOM 342 C LEU A 22 -12.684 19.909 0.767 1.00 65.41 C ATOM 343 O LEU A 22 -12.383 19.013 1.556 1.00 33.33 O ATOM 344 CB LEU A 22 -10.735 21.081 -0.274 1.00 64.24 C ATOM 345 CG LEU A 22 -9.636 20.587 0.668 1.00 74.42 C ATOM 346 CD1 LEU A 22 -8.269 21.034 0.175 1.00 10.43 C ATOM 347 CD2 LEU A 22 -9.885 21.085 2.084 1.00 23.11 C ATOM 0 H LEU A 22 -12.578 21.587 -1.847 1.00 62.12 H new ATOM 0 HA LEU A 22 -11.492 19.150 -0.838 1.00 11.05 H new ATOM 0 HB2 LEU A 22 -10.280 21.325 -1.234 1.00 64.24 H new ATOM 0 HB3 LEU A 22 -11.143 22.008 0.130 1.00 64.24 H new ATOM 0 HG LEU A 22 -9.656 19.497 0.679 1.00 74.42 H new ATOM 0 HD11 LEU A 22 -7.500 20.673 0.858 1.00 10.43 H new ATOM 0 HD12 LEU A 22 -8.090 20.627 -0.820 1.00 10.43 H new ATOM 0 HD13 LEU A 22 -8.235 22.123 0.133 1.00 10.43 H new ATOM 0 HD21 LEU A 22 -9.094 20.724 2.741 1.00 23.11 H new ATOM 0 HD22 LEU A 22 -9.893 22.175 2.090 1.00 23.11 H new ATOM 0 HD23 LEU A 22 -10.847 20.713 2.437 1.00 23.11 H new ATOM 359 N PHE A 23 -13.696 20.744 0.972 1.00 35.14 N ATOM 360 CA PHE A 23 -14.532 20.654 2.164 1.00 5.25 C ATOM 361 C PHE A 23 -15.136 19.260 2.302 1.00 61.25 C ATOM 362 O PHE A 23 -15.040 18.631 3.355 1.00 14.42 O ATOM 363 CB PHE A 23 -15.645 21.702 2.113 1.00 52.20 C ATOM 364 CG PHE A 23 -15.449 22.833 3.081 1.00 11.45 C ATOM 365 CD1 PHE A 23 -14.209 23.434 3.223 1.00 3.32 C ATOM 366 CD2 PHE A 23 -16.505 23.296 3.850 1.00 52.12 C ATOM 367 CE1 PHE A 23 -14.025 24.475 4.114 1.00 35.23 C ATOM 368 CE2 PHE A 23 -16.328 24.337 4.742 1.00 31.43 C ATOM 369 CZ PHE A 23 -15.087 24.927 4.874 1.00 43.31 C ATOM 0 H PHE A 23 -13.958 21.491 0.329 1.00 35.14 H new ATOM 0 HA PHE A 23 -13.903 20.845 3.033 1.00 5.25 H new ATOM 0 HB2 PHE A 23 -15.706 22.106 1.102 1.00 52.20 H new ATOM 0 HB3 PHE A 23 -16.599 21.218 2.321 1.00 52.20 H new ATOM 0 HD1 PHE A 23 -13.376 23.085 2.631 1.00 3.32 H new ATOM 0 HD2 PHE A 23 -17.478 22.838 3.751 1.00 52.12 H new ATOM 0 HE1 PHE A 23 -13.053 24.934 4.216 1.00 35.23 H new ATOM 0 HE2 PHE A 23 -17.160 24.688 5.335 1.00 31.43 H new ATOM 0 HZ PHE A 23 -14.946 25.741 5.570 1.00 43.31 H new ATOM 379 N MET A 24 -15.759 18.783 1.228 1.00 4.34 N ATOM 380 CA MET A 24 -16.378 17.463 1.228 1.00 13.23 C ATOM 381 C MET A 24 -15.326 16.369 1.085 1.00 23.54 C ATOM 382 O MET A 24 -15.495 15.260 1.593 1.00 20.15 O ATOM 383 CB MET A 24 -17.400 17.356 0.094 1.00 23.14 C ATOM 384 CG MET A 24 -18.756 17.949 0.440 1.00 41.31 C ATOM 385 SD MET A 24 -19.626 17.003 1.704 1.00 12.33 S ATOM 386 CE MET A 24 -21.211 17.837 1.720 1.00 53.20 C ATOM 0 H MET A 24 -15.848 19.291 0.348 1.00 4.34 H new ATOM 0 HA MET A 24 -16.888 17.328 2.182 1.00 13.23 H new ATOM 0 HB2 MET A 24 -17.006 17.861 -0.788 1.00 23.14 H new ATOM 0 HB3 MET A 24 -17.528 16.306 -0.171 1.00 23.14 H new ATOM 0 HG2 MET A 24 -18.622 18.974 0.787 1.00 41.31 H new ATOM 0 HG3 MET A 24 -19.369 17.994 -0.460 1.00 41.31 H new ATOM 0 HE1 MET A 24 -21.488 18.072 2.748 1.00 53.20 H new ATOM 0 HE2 MET A 24 -21.143 18.759 1.142 1.00 53.20 H new ATOM 0 HE3 MET A 24 -21.968 17.188 1.280 1.00 53.20 H new ATOM 396 N LYS A 25 -14.239 16.686 0.391 1.00 43.25 N ATOM 397 CA LYS A 25 -13.157 15.731 0.181 1.00 34.31 C ATOM 398 C LYS A 25 -12.497 15.357 1.505 1.00 54.25 C ATOM 399 O LYS A 25 -12.308 14.178 1.804 1.00 53.32 O ATOM 400 CB LYS A 25 -12.114 16.312 -0.775 1.00 63.14 C ATOM 401 CG LYS A 25 -11.099 15.291 -1.262 1.00 14.32 C ATOM 402 CD LYS A 25 -10.049 15.931 -2.154 1.00 23.11 C ATOM 403 CE LYS A 25 -9.044 16.735 -1.343 1.00 41.03 C ATOM 404 NZ LYS A 25 -7.983 17.327 -2.205 1.00 14.43 N ATOM 0 H LYS A 25 -14.083 17.599 -0.037 1.00 43.25 H new ATOM 0 HA LYS A 25 -13.582 14.830 -0.260 1.00 34.31 H new ATOM 0 HB2 LYS A 25 -12.624 16.744 -1.636 1.00 63.14 H new ATOM 0 HB3 LYS A 25 -11.588 17.125 -0.275 1.00 63.14 H new ATOM 0 HG2 LYS A 25 -10.614 14.822 -0.406 1.00 14.32 H new ATOM 0 HG3 LYS A 25 -11.611 14.501 -1.811 1.00 14.32 H new ATOM 0 HD2 LYS A 25 -9.528 15.157 -2.717 1.00 23.11 H new ATOM 0 HD3 LYS A 25 -10.535 16.582 -2.881 1.00 23.11 H new ATOM 0 HE2 LYS A 25 -9.563 17.530 -0.807 1.00 41.03 H new ATOM 0 HE3 LYS A 25 -8.585 16.092 -0.592 1.00 41.03 H new ATOM 0 HZ1 LYS A 25 -7.048 17.064 -1.834 1.00 14.43 H new ATOM 0 HZ2 LYS A 25 -8.084 16.968 -3.176 1.00 14.43 H new ATOM 0 HZ3 LYS A 25 -8.076 18.363 -2.208 1.00 14.43 H new ATOM 418 N SER A 26 -12.150 16.369 2.294 1.00 73.22 N ATOM 419 CA SER A 26 -11.509 16.146 3.585 1.00 53.25 C ATOM 420 C SER A 26 -12.467 15.463 4.556 1.00 11.41 C ATOM 421 O SER A 26 -12.071 14.583 5.322 1.00 50.35 O ATOM 422 CB SER A 26 -11.027 17.473 4.174 1.00 52.21 C ATOM 423 OG SER A 26 -9.613 17.559 4.148 1.00 21.31 O ATOM 0 H SER A 26 -12.302 17.351 2.062 1.00 73.22 H new ATOM 0 HA SER A 26 -10.651 15.493 3.429 1.00 53.25 H new ATOM 0 HB2 SER A 26 -11.455 18.302 3.610 1.00 52.21 H new ATOM 0 HB3 SER A 26 -11.381 17.569 5.200 1.00 52.21 H new ATOM 0 HG SER A 26 -9.330 18.417 4.528 1.00 21.31 H new ATOM 429 N LEU A 27 -13.730 15.875 4.520 1.00 44.12 N ATOM 430 CA LEU A 27 -14.746 15.304 5.397 1.00 51.05 C ATOM 431 C LEU A 27 -14.929 13.815 5.121 1.00 51.13 C ATOM 432 O LEU A 27 -14.921 12.998 6.042 1.00 61.34 O ATOM 433 CB LEU A 27 -16.077 16.036 5.212 1.00 64.12 C ATOM 434 CG LEU A 27 -16.402 17.110 6.250 1.00 5.32 C ATOM 435 CD1 LEU A 27 -15.373 18.230 6.200 1.00 75.25 C ATOM 436 CD2 LEU A 27 -17.803 17.660 6.028 1.00 1.21 C ATOM 0 H LEU A 27 -14.074 16.602 3.893 1.00 44.12 H new ATOM 0 HA LEU A 27 -14.412 15.425 6.427 1.00 51.05 H new ATOM 0 HB2 LEU A 27 -16.080 16.500 4.226 1.00 64.12 H new ATOM 0 HB3 LEU A 27 -16.879 15.298 5.219 1.00 64.12 H new ATOM 0 HG LEU A 27 -16.365 16.654 7.240 1.00 5.32 H new ATOM 0 HD11 LEU A 27 -15.621 18.985 6.946 1.00 75.25 H new ATOM 0 HD12 LEU A 27 -14.383 17.824 6.409 1.00 75.25 H new ATOM 0 HD13 LEU A 27 -15.377 18.684 5.209 1.00 75.25 H new ATOM 0 HD21 LEU A 27 -18.017 18.423 6.776 1.00 1.21 H new ATOM 0 HD22 LEU A 27 -17.868 18.099 5.033 1.00 1.21 H new ATOM 0 HD23 LEU A 27 -18.529 16.852 6.116 1.00 1.21 H new ATOM 448 N ILE A 28 -15.092 13.470 3.848 1.00 41.21 N ATOM 449 CA ILE A 28 -15.273 12.079 3.451 1.00 13.40 C ATOM 450 C ILE A 28 -14.027 11.254 3.754 1.00 12.32 C ATOM 451 O ILE A 28 -14.119 10.139 4.266 1.00 12.34 O ATOM 452 CB ILE A 28 -15.602 11.960 1.951 1.00 1.21 C ATOM 453 CG1 ILE A 28 -16.964 12.590 1.654 1.00 72.14 C ATOM 454 CG2 ILE A 28 -15.580 10.502 1.518 1.00 35.25 C ATOM 455 CD1 ILE A 28 -18.125 11.835 2.263 1.00 2.45 C ATOM 0 H ILE A 28 -15.102 14.134 3.074 1.00 41.21 H new ATOM 0 HA ILE A 28 -16.111 11.692 4.030 1.00 13.40 H new ATOM 0 HB ILE A 28 -14.843 12.498 1.383 1.00 1.21 H new ATOM 0 HG12 ILE A 28 -16.971 13.614 2.028 1.00 72.14 H new ATOM 0 HG13 ILE A 28 -17.103 12.644 0.574 1.00 72.14 H new ATOM 0 HG21 ILE A 28 -15.814 10.434 0.456 1.00 35.25 H new ATOM 0 HG22 ILE A 28 -14.590 10.084 1.698 1.00 35.25 H new ATOM 0 HG23 ILE A 28 -16.320 9.942 2.089 1.00 35.25 H new ATOM 0 HD11 ILE A 28 -19.058 12.339 2.012 1.00 2.45 H new ATOM 0 HD12 ILE A 28 -18.144 10.818 1.870 1.00 2.45 H new ATOM 0 HD13 ILE A 28 -18.010 11.803 3.346 1.00 2.45 H new ATOM 467 N GLU A 29 -12.863 11.812 3.435 1.00 31.55 N ATOM 468 CA GLU A 29 -11.598 11.127 3.675 1.00 32.31 C ATOM 469 C GLU A 29 -11.358 10.936 5.170 1.00 64.32 C ATOM 470 O GLU A 29 -10.846 9.903 5.600 1.00 71.33 O ATOM 471 CB GLU A 29 -10.441 11.915 3.058 1.00 71.13 C ATOM 472 CG GLU A 29 -9.967 11.357 1.726 1.00 2.42 C ATOM 473 CD GLU A 29 -9.689 9.868 1.783 1.00 32.21 C ATOM 474 OE1 GLU A 29 -8.770 9.463 2.525 1.00 62.15 O ATOM 475 OE2 GLU A 29 -10.392 9.107 1.086 1.00 75.13 O ATOM 0 H GLU A 29 -12.770 12.735 3.011 1.00 31.55 H new ATOM 0 HA GLU A 29 -11.651 10.145 3.205 1.00 32.31 H new ATOM 0 HB2 GLU A 29 -10.751 12.951 2.919 1.00 71.13 H new ATOM 0 HB3 GLU A 29 -9.605 11.924 3.757 1.00 71.13 H new ATOM 0 HG2 GLU A 29 -10.722 11.553 0.965 1.00 2.42 H new ATOM 0 HG3 GLU A 29 -9.062 11.880 1.419 1.00 2.42 H new ATOM 482 N ASN A 30 -11.730 11.940 5.956 1.00 10.33 N ATOM 483 CA ASN A 30 -11.554 11.884 7.403 1.00 40.20 C ATOM 484 C ASN A 30 -12.386 10.758 8.009 1.00 51.11 C ATOM 485 O ASN A 30 -11.867 9.912 8.739 1.00 50.53 O ATOM 486 CB ASN A 30 -11.945 13.220 8.037 1.00 2.54 C ATOM 487 CG ASN A 30 -11.486 13.332 9.479 1.00 52.45 C ATOM 488 OD1 ASN A 30 -10.390 12.895 9.828 1.00 30.35 O ATOM 489 ND2 ASN A 30 -12.326 13.921 10.322 1.00 22.35 N ATOM 0 H ASN A 30 -12.155 12.802 5.616 1.00 10.33 H new ATOM 0 HA ASN A 30 -10.502 11.686 7.609 1.00 40.20 H new ATOM 0 HB2 ASN A 30 -11.513 14.035 7.457 1.00 2.54 H new ATOM 0 HB3 ASN A 30 -13.028 13.337 7.993 1.00 2.54 H new ATOM 0 HD21 ASN A 30 -12.072 14.026 11.304 1.00 22.35 H new ATOM 0 HD22 ASN A 30 -13.225 14.268 9.987 1.00 22.35 H new ATOM 496 N CYS A 31 -13.678 10.753 7.701 1.00 12.42 N ATOM 497 CA CYS A 31 -14.583 9.731 8.215 1.00 0.34 C ATOM 498 C CYS A 31 -14.253 8.365 7.623 1.00 52.33 C ATOM 499 O CYS A 31 -14.241 7.356 8.328 1.00 10.43 O ATOM 500 CB CYS A 31 -16.034 10.100 7.902 1.00 44.24 C ATOM 501 SG CYS A 31 -16.497 11.772 8.411 1.00 42.23 S ATOM 0 H CYS A 31 -14.123 11.445 7.098 1.00 12.42 H new ATOM 0 HA CYS A 31 -14.455 9.678 9.296 1.00 0.34 H new ATOM 0 HB2 CYS A 31 -16.200 9.999 6.829 1.00 44.24 H new ATOM 0 HB3 CYS A 31 -16.694 9.386 8.395 1.00 44.24 H new ATOM 0 HG CYS A 31 -15.977 12.635 7.590 1.00 42.23 H new ATOM 507 N LYS A 32 -13.988 8.339 6.321 1.00 5.51 N ATOM 508 CA LYS A 32 -13.658 7.098 5.631 1.00 22.14 C ATOM 509 C LYS A 32 -12.350 6.515 6.156 1.00 24.11 C ATOM 510 O LYS A 32 -12.197 5.297 6.258 1.00 0.41 O ATOM 511 CB LYS A 32 -13.552 7.340 4.124 1.00 13.20 C ATOM 512 CG LYS A 32 -13.001 6.152 3.354 1.00 15.41 C ATOM 513 CD LYS A 32 -13.406 6.201 1.890 1.00 24.22 C ATOM 514 CE LYS A 32 -12.561 7.198 1.111 1.00 31.35 C ATOM 515 NZ LYS A 32 -12.900 7.198 -0.339 1.00 3.13 N ATOM 0 H LYS A 32 -13.995 9.165 5.722 1.00 5.51 H new ATOM 0 HA LYS A 32 -14.457 6.382 5.822 1.00 22.14 H new ATOM 0 HB2 LYS A 32 -14.539 7.589 3.734 1.00 13.20 H new ATOM 0 HB3 LYS A 32 -12.912 8.205 3.948 1.00 13.20 H new ATOM 0 HG2 LYS A 32 -11.914 6.139 3.432 1.00 15.41 H new ATOM 0 HG3 LYS A 32 -13.363 5.227 3.802 1.00 15.41 H new ATOM 0 HD2 LYS A 32 -13.300 5.210 1.449 1.00 24.22 H new ATOM 0 HD3 LYS A 32 -14.458 6.474 1.811 1.00 24.22 H new ATOM 0 HE2 LYS A 32 -12.710 8.198 1.519 1.00 31.35 H new ATOM 0 HE3 LYS A 32 -11.506 6.957 1.237 1.00 31.35 H new ATOM 0 HZ1 LYS A 32 -12.303 7.890 -0.835 1.00 3.13 H new ATOM 0 HZ2 LYS A 32 -12.733 6.251 -0.734 1.00 3.13 H new ATOM 0 HZ3 LYS A 32 -13.901 7.453 -0.462 1.00 3.13 H new ATOM 529 N LYS A 33 -11.408 7.391 6.489 1.00 11.31 N ATOM 530 CA LYS A 33 -10.113 6.965 7.006 1.00 33.53 C ATOM 531 C LYS A 33 -10.280 6.153 8.287 1.00 63.41 C ATOM 532 O LYS A 33 -9.394 5.387 8.667 1.00 60.43 O ATOM 533 CB LYS A 33 -9.222 8.180 7.272 1.00 23.54 C ATOM 534 CG LYS A 33 -8.291 8.515 6.120 1.00 55.43 C ATOM 535 CD LYS A 33 -6.848 8.623 6.581 1.00 1.44 C ATOM 536 CE LYS A 33 -6.531 10.018 7.099 1.00 11.02 C ATOM 537 NZ LYS A 33 -5.117 10.134 7.551 1.00 21.10 N ATOM 0 H LYS A 33 -11.518 8.402 6.410 1.00 11.31 H new ATOM 0 HA LYS A 33 -9.639 6.333 6.255 1.00 33.53 H new ATOM 0 HB2 LYS A 33 -9.853 9.044 7.481 1.00 23.54 H new ATOM 0 HB3 LYS A 33 -8.627 7.995 8.167 1.00 23.54 H new ATOM 0 HG2 LYS A 33 -8.371 7.747 5.351 1.00 55.43 H new ATOM 0 HG3 LYS A 33 -8.599 9.456 5.664 1.00 55.43 H new ATOM 0 HD2 LYS A 33 -6.660 7.891 7.366 1.00 1.44 H new ATOM 0 HD3 LYS A 33 -6.181 8.381 5.753 1.00 1.44 H new ATOM 0 HE2 LYS A 33 -6.722 10.749 6.314 1.00 11.02 H new ATOM 0 HE3 LYS A 33 -7.198 10.258 7.927 1.00 11.02 H new ATOM 0 HZ1 LYS A 33 -4.941 11.099 7.897 1.00 21.10 H new ATOM 0 HZ2 LYS A 33 -4.941 9.454 8.318 1.00 21.10 H new ATOM 0 HZ3 LYS A 33 -4.480 9.930 6.755 1.00 21.10 H new ATOM 551 N ARG A 34 -11.420 6.325 8.947 1.00 32.51 N ATOM 552 CA ARG A 34 -11.702 5.607 10.185 1.00 51.33 C ATOM 553 C ARG A 34 -12.396 4.279 9.897 1.00 14.24 C ATOM 554 O ARG A 34 -12.837 3.587 10.814 1.00 64.21 O ATOM 555 CB ARG A 34 -12.574 6.462 11.107 1.00 22.41 C ATOM 556 CG ARG A 34 -11.792 7.502 11.892 1.00 11.31 C ATOM 557 CD ARG A 34 -12.581 8.003 13.092 1.00 41.43 C ATOM 558 NE ARG A 34 -11.811 8.948 13.897 1.00 32.32 N ATOM 559 CZ ARG A 34 -11.672 10.233 13.591 1.00 73.34 C ATOM 560 NH1 ARG A 34 -12.249 10.724 12.502 1.00 2.04 N ATOM 561 NH2 ARG A 34 -10.956 11.029 14.374 1.00 50.24 N ATOM 0 H ARG A 34 -12.164 6.955 8.646 1.00 32.51 H new ATOM 0 HA ARG A 34 -10.754 5.401 10.681 1.00 51.33 H new ATOM 0 HB2 ARG A 34 -13.334 6.966 10.510 1.00 22.41 H new ATOM 0 HB3 ARG A 34 -13.098 5.810 11.806 1.00 22.41 H new ATOM 0 HG2 ARG A 34 -10.849 7.072 12.229 1.00 11.31 H new ATOM 0 HG3 ARG A 34 -11.545 8.341 11.241 1.00 11.31 H new ATOM 0 HD2 ARG A 34 -13.498 8.482 12.749 1.00 41.43 H new ATOM 0 HD3 ARG A 34 -12.876 7.156 13.711 1.00 41.43 H new ATOM 0 HE ARG A 34 -11.355 8.602 14.741 1.00 32.32 H new ATOM 0 HH11 ARG A 34 -12.801 10.114 11.898 1.00 2.04 H new ATOM 0 HH12 ARG A 34 -12.141 11.711 12.269 1.00 2.04 H new ATOM 0 HH21 ARG A 34 -10.511 10.654 15.212 1.00 50.24 H new ATOM 0 HH22 ARG A 34 -10.850 12.016 14.138 1.00 50.24 H new ATOM 575 N ASN A 35 -12.491 3.931 8.618 1.00 4.31 N ATOM 576 CA ASN A 35 -13.132 2.687 8.210 1.00 72.13 C ATOM 577 C ASN A 35 -12.169 1.816 7.408 1.00 35.15 C ATOM 578 O ASN A 35 -11.917 0.664 7.762 1.00 14.52 O ATOM 579 CB ASN A 35 -14.382 2.982 7.379 1.00 55.33 C ATOM 580 CG ASN A 35 -15.146 1.723 7.015 1.00 43.30 C ATOM 581 OD1 ASN A 35 -15.002 1.194 5.913 1.00 30.51 O ATOM 582 ND2 ASN A 35 -15.963 1.238 7.942 1.00 11.55 N ATOM 0 H ASN A 35 -12.132 4.493 7.846 1.00 4.31 H new ATOM 0 HA ASN A 35 -13.421 2.144 9.110 1.00 72.13 H new ATOM 0 HB2 ASN A 35 -15.036 3.652 7.937 1.00 55.33 H new ATOM 0 HB3 ASN A 35 -14.094 3.505 6.467 1.00 55.33 H new ATOM 0 HD21 ASN A 35 -16.503 0.393 7.754 1.00 11.55 H new ATOM 0 HD22 ASN A 35 -16.051 1.710 8.842 1.00 11.55 H new ATOM 589 N MET A 36 -11.634 2.375 6.328 1.00 75.52 N ATOM 590 CA MET A 36 -10.698 1.649 5.477 1.00 2.23 C ATOM 591 C MET A 36 -9.955 2.604 4.548 1.00 14.41 C ATOM 592 O MET A 36 -10.269 2.726 3.364 1.00 70.53 O ATOM 593 CB MET A 36 -11.436 0.591 4.656 1.00 72.14 C ATOM 594 CG MET A 36 -11.338 -0.809 5.239 1.00 33.24 C ATOM 595 SD MET A 36 -10.574 -1.983 4.104 1.00 21.12 S ATOM 596 CE MET A 36 -11.389 -3.503 4.589 1.00 5.34 C ATOM 0 H MET A 36 -11.832 3.327 6.021 1.00 75.52 H new ATOM 0 HA MET A 36 -9.969 1.155 6.120 1.00 2.23 H new ATOM 0 HB2 MET A 36 -12.487 0.871 4.579 1.00 72.14 H new ATOM 0 HB3 MET A 36 -11.033 0.583 3.643 1.00 72.14 H new ATOM 0 HG2 MET A 36 -10.760 -0.774 6.163 1.00 33.24 H new ATOM 0 HG3 MET A 36 -12.336 -1.160 5.501 1.00 33.24 H new ATOM 0 HE1 MET A 36 -11.021 -4.325 3.975 1.00 5.34 H new ATOM 0 HE2 MET A 36 -11.178 -3.711 5.638 1.00 5.34 H new ATOM 0 HE3 MET A 36 -12.465 -3.399 4.449 1.00 5.34 H new ATOM 606 N PRO A 37 -8.948 3.300 5.095 1.00 5.04 N ATOM 607 CA PRO A 37 -8.140 4.256 4.333 1.00 41.45 C ATOM 608 C PRO A 37 -7.241 3.570 3.310 1.00 41.11 C ATOM 609 O PRO A 37 -6.974 2.371 3.408 1.00 52.53 O ATOM 610 CB PRO A 37 -7.297 4.946 5.408 1.00 1.11 C ATOM 611 CG PRO A 37 -7.215 3.956 6.518 1.00 32.21 C ATOM 612 CD PRO A 37 -8.518 3.206 6.501 1.00 74.11 C ATOM 0 HA PRO A 37 -8.759 4.941 3.753 1.00 41.45 H new ATOM 0 HB2 PRO A 37 -6.307 5.201 5.031 1.00 1.11 H new ATOM 0 HB3 PRO A 37 -7.761 5.875 5.739 1.00 1.11 H new ATOM 0 HG2 PRO A 37 -6.373 3.279 6.375 1.00 32.21 H new ATOM 0 HG3 PRO A 37 -7.064 4.455 7.475 1.00 32.21 H new ATOM 0 HD2 PRO A 37 -8.389 2.170 6.813 1.00 74.11 H new ATOM 0 HD3 PRO A 37 -9.248 3.654 7.175 1.00 74.11 H new ATOM 620 N LEU A 38 -6.776 4.336 2.330 1.00 43.35 N ATOM 621 CA LEU A 38 -5.905 3.802 1.288 1.00 32.31 C ATOM 622 C LEU A 38 -4.541 4.484 1.315 1.00 54.42 C ATOM 623 O LEU A 38 -3.613 4.012 1.970 1.00 35.44 O ATOM 624 CB LEU A 38 -6.552 3.982 -0.087 1.00 25.14 C ATOM 625 CG LEU A 38 -7.683 3.012 -0.429 1.00 24.42 C ATOM 626 CD1 LEU A 38 -8.590 3.604 -1.496 1.00 44.12 C ATOM 627 CD2 LEU A 38 -7.118 1.675 -0.888 1.00 12.11 C ATOM 0 H LEU A 38 -6.987 5.329 2.235 1.00 43.35 H new ATOM 0 HA LEU A 38 -5.762 2.738 1.479 1.00 32.31 H new ATOM 0 HB2 LEU A 38 -6.940 4.999 -0.154 1.00 25.14 H new ATOM 0 HB3 LEU A 38 -5.776 3.886 -0.847 1.00 25.14 H new ATOM 0 HG LEU A 38 -8.276 2.844 0.470 1.00 24.42 H new ATOM 0 HD11 LEU A 38 -9.389 2.899 -1.726 1.00 44.12 H new ATOM 0 HD12 LEU A 38 -9.022 4.536 -1.130 1.00 44.12 H new ATOM 0 HD13 LEU A 38 -8.010 3.802 -2.397 1.00 44.12 H new ATOM 0 HD21 LEU A 38 -7.937 0.997 -1.127 1.00 12.11 H new ATOM 0 HD22 LEU A 38 -6.501 1.826 -1.774 1.00 12.11 H new ATOM 0 HD23 LEU A 38 -6.511 1.244 -0.092 1.00 12.11 H new ATOM 639 N GLN A 39 -4.429 5.599 0.600 1.00 53.31 N ATOM 640 CA GLN A 39 -3.179 6.348 0.543 1.00 31.55 C ATOM 641 C GLN A 39 -3.289 7.650 1.329 1.00 44.33 C ATOM 642 O GLN A 39 -2.580 7.854 2.314 1.00 21.25 O ATOM 643 CB GLN A 39 -2.803 6.644 -0.909 1.00 63.12 C ATOM 644 CG GLN A 39 -1.598 7.560 -1.051 1.00 11.22 C ATOM 645 CD GLN A 39 -0.418 7.106 -0.215 1.00 63.42 C ATOM 646 OE1 GLN A 39 -0.270 5.919 0.078 1.00 34.23 O ATOM 647 NE2 GLN A 39 0.432 8.050 0.173 1.00 34.42 N ATOM 0 H GLN A 39 -5.188 6.004 0.052 1.00 53.31 H new ATOM 0 HA GLN A 39 -2.397 5.737 0.995 1.00 31.55 H new ATOM 0 HB2 GLN A 39 -2.597 5.704 -1.421 1.00 63.12 H new ATOM 0 HB3 GLN A 39 -3.657 7.100 -1.411 1.00 63.12 H new ATOM 0 HG2 GLN A 39 -1.301 7.603 -2.099 1.00 11.22 H new ATOM 0 HG3 GLN A 39 -1.879 8.571 -0.757 1.00 11.22 H new ATOM 0 HE21 GLN A 39 0.271 9.022 -0.092 1.00 34.42 H new ATOM 0 HE22 GLN A 39 1.246 7.803 0.736 1.00 34.42 H new ATOM 656 N SER A 40 -4.181 8.530 0.885 1.00 62.11 N ATOM 657 CA SER A 40 -4.380 9.815 1.544 1.00 51.42 C ATOM 658 C SER A 40 -5.606 10.529 0.983 1.00 53.10 C ATOM 659 O SER A 40 -6.641 10.620 1.644 1.00 75.42 O ATOM 660 CB SER A 40 -3.141 10.697 1.374 1.00 31.23 C ATOM 661 OG SER A 40 -2.263 10.560 2.478 1.00 30.01 O ATOM 0 H SER A 40 -4.777 8.376 0.072 1.00 62.11 H new ATOM 0 HA SER A 40 -4.543 9.629 2.606 1.00 51.42 H new ATOM 0 HB2 SER A 40 -2.621 10.426 0.455 1.00 31.23 H new ATOM 0 HB3 SER A 40 -3.444 11.739 1.273 1.00 31.23 H new ATOM 0 HG SER A 40 -2.156 9.610 2.695 1.00 30.01 H new ATOM 667 N ILE A 41 -5.481 11.034 -0.240 1.00 14.13 N ATOM 668 CA ILE A 41 -6.579 11.739 -0.890 1.00 60.34 C ATOM 669 C ILE A 41 -6.892 11.130 -2.253 1.00 43.22 C ATOM 670 O ILE A 41 -6.296 11.485 -3.271 1.00 13.33 O ATOM 671 CB ILE A 41 -6.260 13.235 -1.070 1.00 21.33 C ATOM 672 CG1 ILE A 41 -5.835 13.851 0.265 1.00 42.35 C ATOM 673 CG2 ILE A 41 -7.465 13.969 -1.639 1.00 22.23 C ATOM 674 CD1 ILE A 41 -6.905 13.780 1.331 1.00 23.24 C ATOM 0 H ILE A 41 -4.631 10.968 -0.800 1.00 14.13 H new ATOM 0 HA ILE A 41 -7.448 11.637 -0.240 1.00 60.34 H new ATOM 0 HB ILE A 41 -5.434 13.334 -1.774 1.00 21.33 H new ATOM 0 HG12 ILE A 41 -4.942 13.340 0.624 1.00 42.35 H new ATOM 0 HG13 ILE A 41 -5.562 14.894 0.104 1.00 42.35 H new ATOM 0 HG21 ILE A 41 -7.224 15.025 -1.760 1.00 22.23 H new ATOM 0 HG22 ILE A 41 -7.727 13.543 -2.608 1.00 22.23 H new ATOM 0 HG23 ILE A 41 -8.309 13.866 -0.957 1.00 22.23 H new ATOM 0 HD11 ILE A 41 -6.534 14.235 2.249 1.00 23.24 H new ATOM 0 HD12 ILE A 41 -7.792 14.316 0.993 1.00 23.24 H new ATOM 0 HD13 ILE A 41 -7.161 12.738 1.520 1.00 23.24 H new ATOM 686 N PRO A 42 -7.850 10.192 -2.276 1.00 61.15 N ATOM 687 CA PRO A 42 -8.266 9.516 -3.509 1.00 23.53 C ATOM 688 C PRO A 42 -9.017 10.446 -4.455 1.00 61.43 C ATOM 689 O PRO A 42 -10.131 10.877 -4.161 1.00 1.01 O ATOM 690 CB PRO A 42 -9.190 8.402 -3.008 1.00 5.41 C ATOM 691 CG PRO A 42 -9.709 8.900 -1.703 1.00 73.24 C ATOM 692 CD PRO A 42 -8.601 9.719 -1.102 1.00 15.54 C ATOM 0 HA PRO A 42 -7.413 9.155 -4.084 1.00 23.53 H new ATOM 0 HB2 PRO A 42 -10.001 8.214 -3.711 1.00 5.41 H new ATOM 0 HB3 PRO A 42 -8.649 7.463 -2.887 1.00 5.41 H new ATOM 0 HG2 PRO A 42 -10.607 9.502 -1.844 1.00 73.24 H new ATOM 0 HG3 PRO A 42 -9.980 8.071 -1.049 1.00 73.24 H new ATOM 0 HD2 PRO A 42 -8.990 10.549 -0.513 1.00 15.54 H new ATOM 0 HD3 PRO A 42 -7.975 9.122 -0.438 1.00 15.54 H new ATOM 700 N GLU A 43 -8.399 10.750 -5.593 1.00 34.43 N ATOM 701 CA GLU A 43 -9.011 11.629 -6.582 1.00 11.22 C ATOM 702 C GLU A 43 -9.081 10.949 -7.946 1.00 25.20 C ATOM 703 O GLU A 43 -8.149 10.253 -8.352 1.00 52.33 O ATOM 704 CB GLU A 43 -8.223 12.936 -6.691 1.00 54.30 C ATOM 705 CG GLU A 43 -9.048 14.172 -6.374 1.00 12.41 C ATOM 706 CD GLU A 43 -8.189 15.380 -6.051 1.00 35.32 C ATOM 707 OE1 GLU A 43 -7.571 15.396 -4.966 1.00 72.41 O ATOM 708 OE2 GLU A 43 -8.136 16.309 -6.884 1.00 21.32 O ATOM 0 H GLU A 43 -7.476 10.401 -5.852 1.00 34.43 H new ATOM 0 HA GLU A 43 -10.027 11.851 -6.254 1.00 11.22 H new ATOM 0 HB2 GLU A 43 -7.371 12.894 -6.013 1.00 54.30 H new ATOM 0 HB3 GLU A 43 -7.822 13.026 -7.701 1.00 54.30 H new ATOM 0 HG2 GLU A 43 -9.690 14.404 -7.224 1.00 12.41 H new ATOM 0 HG3 GLU A 43 -9.703 13.960 -5.529 1.00 12.41 H new ATOM 715 N ILE A 44 -10.190 11.154 -8.647 1.00 52.42 N ATOM 716 CA ILE A 44 -10.381 10.562 -9.965 1.00 72.12 C ATOM 717 C ILE A 44 -11.289 11.429 -10.831 1.00 62.23 C ATOM 718 O ILE A 44 -12.439 11.686 -10.480 1.00 34.21 O ATOM 719 CB ILE A 44 -10.984 9.148 -9.865 1.00 3.12 C ATOM 720 CG1 ILE A 44 -9.995 8.196 -9.189 1.00 33.41 C ATOM 721 CG2 ILE A 44 -11.362 8.635 -11.246 1.00 35.51 C ATOM 722 CD1 ILE A 44 -8.728 7.975 -9.985 1.00 73.43 C ATOM 0 H ILE A 44 -10.971 11.726 -8.324 1.00 52.42 H new ATOM 0 HA ILE A 44 -9.396 10.497 -10.427 1.00 72.12 H new ATOM 0 HB ILE A 44 -11.887 9.196 -9.257 1.00 3.12 H new ATOM 0 HG12 ILE A 44 -9.733 8.593 -8.208 1.00 33.41 H new ATOM 0 HG13 ILE A 44 -10.483 7.235 -9.024 1.00 33.41 H new ATOM 0 HG21 ILE A 44 -11.787 7.635 -11.159 1.00 35.51 H new ATOM 0 HG22 ILE A 44 -12.097 9.304 -11.694 1.00 35.51 H new ATOM 0 HG23 ILE A 44 -10.473 8.598 -11.876 1.00 35.51 H new ATOM 0 HD11 ILE A 44 -8.074 7.290 -9.445 1.00 73.43 H new ATOM 0 HD12 ILE A 44 -8.978 7.548 -10.956 1.00 73.43 H new ATOM 0 HD13 ILE A 44 -8.217 8.927 -10.128 1.00 73.43 H new ATOM 734 N GLY A 45 -10.763 11.876 -11.968 1.00 23.13 N ATOM 735 CA GLY A 45 -11.539 12.708 -12.868 1.00 75.20 C ATOM 736 C GLY A 45 -11.271 14.186 -12.668 1.00 44.25 C ATOM 737 O GLY A 45 -10.479 14.784 -13.396 1.00 71.54 O ATOM 0 H GLY A 45 -9.813 11.676 -12.281 1.00 23.13 H new ATOM 0 HA2 GLY A 45 -11.309 12.436 -13.898 1.00 75.20 H new ATOM 0 HA3 GLY A 45 -12.600 12.511 -12.716 1.00 75.20 H new ATOM 741 N ASN A 46 -11.933 14.778 -11.680 1.00 3.32 N ATOM 742 CA ASN A 46 -11.763 16.197 -11.388 1.00 43.01 C ATOM 743 C ASN A 46 -12.624 16.615 -10.200 1.00 50.33 C ATOM 744 O ASN A 46 -13.298 17.645 -10.241 1.00 62.21 O ATOM 745 CB ASN A 46 -12.123 17.038 -12.615 1.00 23.14 C ATOM 746 CG ASN A 46 -11.189 18.219 -12.800 1.00 73.55 C ATOM 747 OD1 ASN A 46 -10.460 18.598 -11.884 1.00 32.11 O ATOM 748 ND2 ASN A 46 -11.208 18.806 -13.991 1.00 72.23 N ATOM 0 H ASN A 46 -12.592 14.298 -11.068 1.00 3.32 H new ATOM 0 HA ASN A 46 -10.717 16.367 -11.133 1.00 43.01 H new ATOM 0 HB2 ASN A 46 -12.091 16.410 -13.505 1.00 23.14 H new ATOM 0 HB3 ASN A 46 -13.147 17.399 -12.517 1.00 23.14 H new ATOM 0 HD21 ASN A 46 -10.602 19.605 -14.175 1.00 72.23 H new ATOM 0 HD22 ASN A 46 -11.829 18.458 -14.721 1.00 72.23 H new ATOM 755 N ARG A 47 -12.596 15.810 -9.144 1.00 32.15 N ATOM 756 CA ARG A 47 -13.375 16.096 -7.944 1.00 65.34 C ATOM 757 C ARG A 47 -14.870 16.057 -8.245 1.00 10.31 C ATOM 758 O ARG A 47 -15.407 16.953 -8.897 1.00 2.32 O ATOM 759 CB ARG A 47 -12.993 17.464 -7.377 1.00 4.02 C ATOM 760 CG ARG A 47 -11.493 17.672 -7.247 1.00 44.40 C ATOM 761 CD ARG A 47 -11.154 19.129 -6.969 1.00 35.33 C ATOM 762 NE ARG A 47 -11.731 20.025 -7.967 1.00 72.01 N ATOM 763 CZ ARG A 47 -11.933 21.322 -7.761 1.00 72.44 C ATOM 764 NH1 ARG A 47 -11.606 21.871 -6.600 1.00 34.33 N ATOM 765 NH2 ARG A 47 -12.463 22.072 -8.719 1.00 44.12 N ATOM 0 H ARG A 47 -12.043 14.955 -9.094 1.00 32.15 H new ATOM 0 HA ARG A 47 -13.151 15.328 -7.203 1.00 65.34 H new ATOM 0 HB2 ARG A 47 -13.405 18.242 -8.020 1.00 4.02 H new ATOM 0 HB3 ARG A 47 -13.454 17.583 -6.397 1.00 4.02 H new ATOM 0 HG2 ARG A 47 -11.106 17.047 -6.442 1.00 44.40 H new ATOM 0 HG3 ARG A 47 -10.999 17.351 -8.164 1.00 44.40 H new ATOM 0 HD2 ARG A 47 -11.520 19.404 -5.980 1.00 35.33 H new ATOM 0 HD3 ARG A 47 -10.071 19.253 -6.954 1.00 35.33 H new ATOM 0 HE ARG A 47 -11.993 19.634 -8.872 1.00 72.01 H new ATOM 0 HH11 ARG A 47 -11.198 21.298 -5.862 1.00 34.33 H new ATOM 0 HH12 ARG A 47 -11.762 22.867 -6.445 1.00 34.33 H new ATOM 0 HH21 ARG A 47 -12.716 21.653 -9.614 1.00 44.12 H new ATOM 0 HH22 ARG A 47 -12.618 23.068 -8.560 1.00 44.12 H new ATOM 779 N LYS A 48 -15.538 15.013 -7.766 1.00 2.22 N ATOM 780 CA LYS A 48 -16.971 14.857 -7.982 1.00 33.24 C ATOM 781 C LYS A 48 -17.656 14.329 -6.725 1.00 13.31 C ATOM 782 O LYS A 48 -18.827 13.950 -6.758 1.00 14.31 O ATOM 783 CB LYS A 48 -17.231 13.907 -9.153 1.00 41.34 C ATOM 784 CG LYS A 48 -17.620 14.619 -10.438 1.00 31.42 C ATOM 785 CD LYS A 48 -16.405 14.922 -11.298 1.00 4.14 C ATOM 786 CE LYS A 48 -16.788 15.113 -12.757 1.00 62.31 C ATOM 787 NZ LYS A 48 -15.670 15.690 -13.553 1.00 43.32 N ATOM 0 H LYS A 48 -15.109 14.262 -7.225 1.00 2.22 H new ATOM 0 HA LYS A 48 -17.386 15.837 -8.218 1.00 33.24 H new ATOM 0 HB2 LYS A 48 -16.336 13.312 -9.334 1.00 41.34 H new ATOM 0 HB3 LYS A 48 -18.025 13.212 -8.877 1.00 41.34 H new ATOM 0 HG2 LYS A 48 -18.320 14.000 -11.000 1.00 31.42 H new ATOM 0 HG3 LYS A 48 -18.138 15.548 -10.198 1.00 31.42 H new ATOM 0 HD2 LYS A 48 -15.912 15.822 -10.929 1.00 4.14 H new ATOM 0 HD3 LYS A 48 -15.686 14.107 -11.213 1.00 4.14 H new ATOM 0 HE2 LYS A 48 -17.081 14.154 -13.184 1.00 62.31 H new ATOM 0 HE3 LYS A 48 -17.656 15.769 -12.822 1.00 62.31 H new ATOM 0 HZ1 LYS A 48 -15.971 15.805 -14.542 1.00 43.32 H new ATOM 0 HZ2 LYS A 48 -15.407 16.617 -13.161 1.00 43.32 H new ATOM 0 HZ3 LYS A 48 -14.850 15.052 -13.513 1.00 43.32 H new ATOM 801 N ILE A 49 -16.920 14.309 -5.619 1.00 43.32 N ATOM 802 CA ILE A 49 -17.458 13.831 -4.352 1.00 20.11 C ATOM 803 C ILE A 49 -18.178 14.948 -3.604 1.00 32.31 C ATOM 804 O ILE A 49 -18.829 14.709 -2.588 1.00 22.43 O ATOM 805 CB ILE A 49 -16.349 13.256 -3.450 1.00 53.44 C ATOM 806 CG1 ILE A 49 -15.448 12.314 -4.251 1.00 31.01 C ATOM 807 CG2 ILE A 49 -16.958 12.532 -2.259 1.00 62.42 C ATOM 808 CD1 ILE A 49 -14.085 12.895 -4.556 1.00 12.13 C ATOM 0 H ILE A 49 -15.949 14.618 -5.575 1.00 43.32 H new ATOM 0 HA ILE A 49 -18.168 13.039 -4.590 1.00 20.11 H new ATOM 0 HB ILE A 49 -15.740 14.079 -3.076 1.00 53.44 H new ATOM 0 HG12 ILE A 49 -15.322 11.385 -3.695 1.00 31.01 H new ATOM 0 HG13 ILE A 49 -15.944 12.060 -5.188 1.00 31.01 H new ATOM 0 HG21 ILE A 49 -16.162 12.131 -1.631 1.00 62.42 H new ATOM 0 HG22 ILE A 49 -17.562 13.230 -1.679 1.00 62.42 H new ATOM 0 HG23 ILE A 49 -17.587 11.715 -2.613 1.00 62.42 H new ATOM 0 HD11 ILE A 49 -13.501 12.173 -5.126 1.00 12.13 H new ATOM 0 HD12 ILE A 49 -14.201 13.809 -5.139 1.00 12.13 H new ATOM 0 HD13 ILE A 49 -13.570 13.123 -3.623 1.00 12.13 H new ATOM 820 N ASN A 50 -18.058 16.168 -4.116 1.00 11.43 N ATOM 821 CA ASN A 50 -18.699 17.323 -3.497 1.00 0.12 C ATOM 822 C ASN A 50 -20.201 17.321 -3.767 1.00 4.53 C ATOM 823 O ASN A 50 -20.659 16.796 -4.782 1.00 35.32 O ATOM 824 CB ASN A 50 -18.077 18.619 -4.020 1.00 2.20 C ATOM 825 CG ASN A 50 -18.695 19.853 -3.390 1.00 60.44 C ATOM 826 OD1 ASN A 50 -19.304 20.674 -4.076 1.00 1.12 O ATOM 827 ND2 ASN A 50 -18.540 19.988 -2.078 1.00 74.44 N ATOM 0 H ASN A 50 -17.523 16.383 -4.958 1.00 11.43 H new ATOM 0 HA ASN A 50 -18.541 17.261 -2.420 1.00 0.12 H new ATOM 0 HB2 ASN A 50 -17.005 18.611 -3.821 1.00 2.20 H new ATOM 0 HB3 ASN A 50 -18.200 18.667 -5.102 1.00 2.20 H new ATOM 0 HD21 ASN A 50 -18.934 20.798 -1.599 1.00 74.44 H new ATOM 0 HD22 ASN A 50 -18.027 19.282 -1.550 1.00 74.44 H new ATOM 834 N LEU A 51 -20.961 17.913 -2.852 1.00 40.44 N ATOM 835 CA LEU A 51 -22.412 17.982 -2.991 1.00 64.53 C ATOM 836 C LEU A 51 -22.808 18.970 -4.083 1.00 12.42 C ATOM 837 O LEU A 51 -23.889 18.870 -4.663 1.00 74.12 O ATOM 838 CB LEU A 51 -23.052 18.387 -1.663 1.00 34.32 C ATOM 839 CG LEU A 51 -24.565 18.185 -1.558 1.00 5.21 C ATOM 840 CD1 LEU A 51 -24.906 17.321 -0.354 1.00 3.11 C ATOM 841 CD2 LEU A 51 -25.277 19.527 -1.472 1.00 43.34 C ATOM 0 H LEU A 51 -20.597 18.352 -2.006 1.00 40.44 H new ATOM 0 HA LEU A 51 -22.773 16.993 -3.274 1.00 64.53 H new ATOM 0 HB2 LEU A 51 -22.574 17.820 -0.864 1.00 34.32 H new ATOM 0 HB3 LEU A 51 -22.833 19.439 -1.483 1.00 34.32 H new ATOM 0 HG LEU A 51 -24.907 17.671 -2.456 1.00 5.21 H new ATOM 0 HD11 LEU A 51 -25.986 17.188 -0.296 1.00 3.11 H new ATOM 0 HD12 LEU A 51 -24.426 16.348 -0.457 1.00 3.11 H new ATOM 0 HD13 LEU A 51 -24.551 17.807 0.555 1.00 3.11 H new ATOM 0 HD21 LEU A 51 -26.352 19.364 -1.398 1.00 43.34 H new ATOM 0 HD22 LEU A 51 -24.930 20.067 -0.591 1.00 43.34 H new ATOM 0 HD23 LEU A 51 -25.059 20.112 -2.365 1.00 43.34 H new ATOM 853 N PHE A 52 -21.925 19.925 -4.359 1.00 34.42 N ATOM 854 CA PHE A 52 -22.183 20.931 -5.382 1.00 3.41 C ATOM 855 C PHE A 52 -21.643 20.481 -6.736 1.00 71.22 C ATOM 856 O PHE A 52 -22.232 20.769 -7.778 1.00 40.14 O ATOM 857 CB PHE A 52 -21.547 22.266 -4.986 1.00 34.35 C ATOM 858 CG PHE A 52 -22.395 23.458 -5.326 1.00 33.13 C ATOM 859 CD1 PHE A 52 -22.758 23.715 -6.638 1.00 33.30 C ATOM 860 CD2 PHE A 52 -22.829 24.322 -4.333 1.00 40.12 C ATOM 861 CE1 PHE A 52 -23.539 24.811 -6.954 1.00 61.35 C ATOM 862 CE2 PHE A 52 -23.610 25.419 -4.644 1.00 0.24 C ATOM 863 CZ PHE A 52 -23.964 25.665 -5.956 1.00 33.41 C ATOM 0 H PHE A 52 -21.025 20.023 -3.888 1.00 34.42 H new ATOM 0 HA PHE A 52 -23.262 21.060 -5.465 1.00 3.41 H new ATOM 0 HB2 PHE A 52 -21.352 22.263 -3.914 1.00 34.35 H new ATOM 0 HB3 PHE A 52 -20.583 22.362 -5.485 1.00 34.35 H new ATOM 0 HD1 PHE A 52 -22.427 23.051 -7.423 1.00 33.30 H new ATOM 0 HD2 PHE A 52 -22.554 24.136 -3.305 1.00 40.12 H new ATOM 0 HE1 PHE A 52 -23.816 24.999 -7.981 1.00 61.35 H new ATOM 0 HE2 PHE A 52 -23.943 26.084 -3.861 1.00 0.24 H new ATOM 0 HZ PHE A 52 -24.572 26.523 -6.201 1.00 33.41 H new ATOM 873 N TYR A 53 -20.520 19.773 -6.713 1.00 24.34 N ATOM 874 CA TYR A 53 -19.898 19.284 -7.938 1.00 0.42 C ATOM 875 C TYR A 53 -20.702 18.133 -8.535 1.00 42.42 C ATOM 876 O TYR A 53 -21.020 18.134 -9.725 1.00 40.42 O ATOM 877 CB TYR A 53 -18.464 18.830 -7.661 1.00 20.10 C ATOM 878 CG TYR A 53 -17.568 18.876 -8.878 1.00 53.43 C ATOM 879 CD1 TYR A 53 -17.865 18.130 -10.012 1.00 71.01 C ATOM 880 CD2 TYR A 53 -16.425 19.666 -8.894 1.00 71.35 C ATOM 881 CE1 TYR A 53 -17.049 18.169 -11.126 1.00 75.35 C ATOM 882 CE2 TYR A 53 -15.605 19.712 -10.005 1.00 24.32 C ATOM 883 CZ TYR A 53 -15.921 18.961 -11.118 1.00 43.41 C ATOM 884 OH TYR A 53 -15.105 19.003 -12.226 1.00 11.44 O ATOM 0 H TYR A 53 -20.021 19.524 -5.859 1.00 24.34 H new ATOM 0 HA TYR A 53 -19.880 20.102 -8.658 1.00 0.42 H new ATOM 0 HB2 TYR A 53 -18.036 19.461 -6.882 1.00 20.10 H new ATOM 0 HB3 TYR A 53 -18.483 17.812 -7.273 1.00 20.10 H new ATOM 0 HD1 TYR A 53 -18.749 17.509 -10.023 1.00 71.01 H new ATOM 0 HD2 TYR A 53 -16.173 20.254 -8.024 1.00 71.35 H new ATOM 0 HE1 TYR A 53 -17.294 17.582 -11.999 1.00 75.35 H new ATOM 0 HE2 TYR A 53 -14.721 20.333 -10.002 1.00 24.32 H new ATOM 0 HH TYR A 53 -14.354 19.610 -12.056 1.00 11.44 H new ATOM 894 N LEU A 54 -21.028 17.153 -7.701 1.00 23.43 N ATOM 895 CA LEU A 54 -21.796 15.994 -8.144 1.00 45.22 C ATOM 896 C LEU A 54 -23.178 16.412 -8.635 1.00 0.55 C ATOM 897 O LEU A 54 -23.695 15.863 -9.608 1.00 11.33 O ATOM 898 CB LEU A 54 -21.930 14.981 -7.006 1.00 55.01 C ATOM 899 CG LEU A 54 -22.181 13.532 -7.424 1.00 23.40 C ATOM 900 CD1 LEU A 54 -23.536 13.398 -8.101 1.00 63.42 C ATOM 901 CD2 LEU A 54 -21.072 13.043 -8.344 1.00 63.14 C ATOM 0 H LEU A 54 -20.773 17.137 -6.714 1.00 23.43 H new ATOM 0 HA LEU A 54 -21.262 15.530 -8.973 1.00 45.22 H new ATOM 0 HB2 LEU A 54 -21.019 15.013 -6.408 1.00 55.01 H new ATOM 0 HB3 LEU A 54 -22.747 15.298 -6.358 1.00 55.01 H new ATOM 0 HG LEU A 54 -22.183 12.911 -6.528 1.00 23.40 H new ATOM 0 HD11 LEU A 54 -23.697 12.360 -8.391 1.00 63.42 H new ATOM 0 HD12 LEU A 54 -24.320 13.707 -7.410 1.00 63.42 H new ATOM 0 HD13 LEU A 54 -23.564 14.031 -8.988 1.00 63.42 H new ATOM 0 HD21 LEU A 54 -21.267 12.010 -8.632 1.00 63.14 H new ATOM 0 HD22 LEU A 54 -21.038 13.668 -9.236 1.00 63.14 H new ATOM 0 HD23 LEU A 54 -20.116 13.101 -7.824 1.00 63.14 H new ATOM 913 N TYR A 55 -23.770 17.389 -7.956 1.00 31.21 N ATOM 914 CA TYR A 55 -25.093 17.881 -8.322 1.00 62.02 C ATOM 915 C TYR A 55 -25.045 18.636 -9.647 1.00 15.31 C ATOM 916 O TYR A 55 -25.850 18.388 -10.545 1.00 1.35 O ATOM 917 CB TYR A 55 -25.644 18.791 -7.223 1.00 61.20 C ATOM 918 CG TYR A 55 -26.948 19.463 -7.590 1.00 63.42 C ATOM 919 CD1 TYR A 55 -26.960 20.670 -8.278 1.00 71.34 C ATOM 920 CD2 TYR A 55 -28.167 18.891 -7.248 1.00 51.22 C ATOM 921 CE1 TYR A 55 -28.149 21.288 -8.615 1.00 62.34 C ATOM 922 CE2 TYR A 55 -29.361 19.501 -7.582 1.00 45.33 C ATOM 923 CZ TYR A 55 -29.346 20.699 -8.266 1.00 13.33 C ATOM 924 OH TYR A 55 -30.533 21.311 -8.599 1.00 70.11 O ATOM 0 H TYR A 55 -23.355 17.855 -7.150 1.00 31.21 H new ATOM 0 HA TYR A 55 -25.754 17.022 -8.437 1.00 62.02 H new ATOM 0 HB2 TYR A 55 -25.790 18.204 -6.316 1.00 61.20 H new ATOM 0 HB3 TYR A 55 -24.903 19.556 -6.991 1.00 61.20 H new ATOM 0 HD1 TYR A 55 -26.024 21.133 -8.554 1.00 71.34 H new ATOM 0 HD2 TYR A 55 -28.182 17.954 -6.712 1.00 51.22 H new ATOM 0 HE1 TYR A 55 -28.141 22.227 -9.149 1.00 62.34 H new ATOM 0 HE2 TYR A 55 -30.300 19.043 -7.309 1.00 45.33 H new ATOM 0 HH TYR A 55 -31.283 20.766 -8.281 1.00 70.11 H new ATOM 934 N MET A 56 -24.096 19.559 -9.761 1.00 2.03 N ATOM 935 CA MET A 56 -23.941 20.350 -10.976 1.00 51.11 C ATOM 936 C MET A 56 -23.683 19.451 -12.181 1.00 22.22 C ATOM 937 O MET A 56 -24.185 19.705 -13.277 1.00 22.43 O ATOM 938 CB MET A 56 -22.795 21.351 -10.817 1.00 23.55 C ATOM 939 CG MET A 56 -22.528 22.174 -12.066 1.00 71.43 C ATOM 940 SD MET A 56 -22.821 23.935 -11.814 1.00 20.33 S ATOM 941 CE MET A 56 -22.516 24.568 -13.461 1.00 55.31 C ATOM 0 H MET A 56 -23.423 19.778 -9.027 1.00 2.03 H new ATOM 0 HA MET A 56 -24.869 20.896 -11.144 1.00 51.11 H new ATOM 0 HB2 MET A 56 -23.024 22.024 -9.991 1.00 23.55 H new ATOM 0 HB3 MET A 56 -21.887 20.811 -10.547 1.00 23.55 H new ATOM 0 HG2 MET A 56 -21.496 22.023 -12.382 1.00 71.43 H new ATOM 0 HG3 MET A 56 -23.165 21.816 -12.875 1.00 71.43 H new ATOM 0 HE1 MET A 56 -22.658 25.649 -13.467 1.00 55.31 H new ATOM 0 HE2 MET A 56 -21.493 24.334 -13.757 1.00 55.31 H new ATOM 0 HE3 MET A 56 -23.211 24.107 -14.163 1.00 55.31 H new ATOM 951 N LEU A 57 -22.897 18.400 -11.971 1.00 55.15 N ATOM 952 CA LEU A 57 -22.572 17.463 -13.041 1.00 33.20 C ATOM 953 C LEU A 57 -23.824 16.746 -13.536 1.00 73.12 C ATOM 954 O LEU A 57 -24.073 16.668 -14.739 1.00 52.43 O ATOM 955 CB LEU A 57 -21.544 16.440 -12.554 1.00 40.14 C ATOM 956 CG LEU A 57 -21.382 15.188 -13.418 1.00 1.44 C ATOM 957 CD1 LEU A 57 -19.919 14.971 -13.773 1.00 54.04 C ATOM 958 CD2 LEU A 57 -21.945 13.970 -12.701 1.00 73.11 C ATOM 0 H LEU A 57 -22.474 18.176 -11.071 1.00 55.15 H new ATOM 0 HA LEU A 57 -22.148 18.029 -13.870 1.00 33.20 H new ATOM 0 HB2 LEU A 57 -20.575 16.935 -12.481 1.00 40.14 H new ATOM 0 HB3 LEU A 57 -21.820 16.129 -11.546 1.00 40.14 H new ATOM 0 HG LEU A 57 -21.942 15.332 -14.342 1.00 1.44 H new ATOM 0 HD11 LEU A 57 -19.823 14.076 -14.388 1.00 54.04 H new ATOM 0 HD12 LEU A 57 -19.547 15.833 -14.326 1.00 54.04 H new ATOM 0 HD13 LEU A 57 -19.337 14.848 -12.859 1.00 54.04 H new ATOM 0 HD21 LEU A 57 -21.822 13.088 -13.330 1.00 73.11 H new ATOM 0 HD22 LEU A 57 -21.413 13.823 -11.761 1.00 73.11 H new ATOM 0 HD23 LEU A 57 -23.005 14.125 -12.498 1.00 73.11 H new ATOM 970 N VAL A 58 -24.611 16.225 -12.600 1.00 21.41 N ATOM 971 CA VAL A 58 -25.839 15.517 -12.941 1.00 33.04 C ATOM 972 C VAL A 58 -26.796 16.417 -13.714 1.00 44.44 C ATOM 973 O VAL A 58 -27.310 16.034 -14.765 1.00 13.54 O ATOM 974 CB VAL A 58 -26.552 14.992 -11.680 1.00 74.14 C ATOM 975 CG1 VAL A 58 -27.819 14.240 -12.058 1.00 34.40 C ATOM 976 CG2 VAL A 58 -25.618 14.106 -10.870 1.00 51.21 C ATOM 0 H VAL A 58 -24.420 16.280 -11.600 1.00 21.41 H new ATOM 0 HA VAL A 58 -25.554 14.672 -13.568 1.00 33.04 H new ATOM 0 HB VAL A 58 -26.834 15.844 -11.062 1.00 74.14 H new ATOM 0 HG11 VAL A 58 -28.309 13.876 -11.155 1.00 34.40 H new ATOM 0 HG12 VAL A 58 -28.493 14.909 -12.593 1.00 34.40 H new ATOM 0 HG13 VAL A 58 -27.564 13.395 -12.697 1.00 34.40 H new ATOM 0 HG21 VAL A 58 -26.138 13.744 -9.983 1.00 51.21 H new ATOM 0 HG22 VAL A 58 -25.303 13.258 -11.478 1.00 51.21 H new ATOM 0 HG23 VAL A 58 -24.742 14.681 -10.568 1.00 51.21 H new ATOM 986 N GLN A 59 -27.028 17.615 -13.188 1.00 51.51 N ATOM 987 CA GLN A 59 -27.923 18.571 -13.830 1.00 73.31 C ATOM 988 C GLN A 59 -27.428 18.926 -15.228 1.00 40.21 C ATOM 989 O GLN A 59 -28.222 19.146 -16.143 1.00 13.23 O ATOM 990 CB GLN A 59 -28.045 19.838 -12.982 1.00 22.43 C ATOM 991 CG GLN A 59 -29.456 20.400 -12.927 1.00 41.54 C ATOM 992 CD GLN A 59 -29.493 21.904 -13.121 1.00 64.41 C ATOM 993 OE1 GLN A 59 -29.857 22.395 -14.190 1.00 20.32 O ATOM 994 NE2 GLN A 59 -29.114 22.644 -12.085 1.00 74.43 N ATOM 0 H GLN A 59 -26.609 17.947 -12.319 1.00 51.51 H new ATOM 0 HA GLN A 59 -28.905 18.107 -13.919 1.00 73.31 H new ATOM 0 HB2 GLN A 59 -27.710 19.620 -11.968 1.00 22.43 H new ATOM 0 HB3 GLN A 59 -27.375 20.599 -13.382 1.00 22.43 H new ATOM 0 HG2 GLN A 59 -30.063 19.923 -13.696 1.00 41.54 H new ATOM 0 HG3 GLN A 59 -29.905 20.150 -11.966 1.00 41.54 H new ATOM 0 HE21 GLN A 59 -28.820 22.195 -11.218 1.00 74.43 H new ATOM 0 HE22 GLN A 59 -29.117 23.661 -12.157 1.00 74.43 H new ATOM 1003 N LYS A 60 -26.110 18.981 -15.387 1.00 40.41 N ATOM 1004 CA LYS A 60 -25.507 19.309 -16.674 1.00 11.45 C ATOM 1005 C LYS A 60 -25.718 18.180 -17.677 1.00 0.10 C ATOM 1006 O LYS A 60 -25.917 18.423 -18.867 1.00 43.15 O ATOM 1007 CB LYS A 60 -24.011 19.582 -16.504 1.00 1.40 C ATOM 1008 CG LYS A 60 -23.646 21.054 -16.601 1.00 72.44 C ATOM 1009 CD LYS A 60 -23.631 21.530 -18.044 1.00 53.12 C ATOM 1010 CE LYS A 60 -24.564 22.714 -18.250 1.00 21.01 C ATOM 1011 NZ LYS A 60 -23.838 24.012 -18.174 1.00 23.21 N ATOM 0 H LYS A 60 -25.438 18.803 -14.640 1.00 40.41 H new ATOM 0 HA LYS A 60 -25.993 20.207 -17.057 1.00 11.45 H new ATOM 0 HB2 LYS A 60 -23.688 19.199 -15.536 1.00 1.40 H new ATOM 0 HB3 LYS A 60 -23.461 19.029 -17.265 1.00 1.40 H new ATOM 0 HG2 LYS A 60 -24.361 21.646 -16.029 1.00 72.44 H new ATOM 0 HG3 LYS A 60 -22.666 21.217 -16.153 1.00 72.44 H new ATOM 0 HD2 LYS A 60 -22.616 21.812 -18.325 1.00 53.12 H new ATOM 0 HD3 LYS A 60 -23.928 20.713 -18.701 1.00 53.12 H new ATOM 0 HE2 LYS A 60 -25.052 22.627 -19.221 1.00 21.01 H new ATOM 0 HE3 LYS A 60 -25.350 22.693 -17.495 1.00 21.01 H new ATOM 0 HZ1 LYS A 60 -24.508 24.794 -18.319 1.00 23.21 H new ATOM 0 HZ2 LYS A 60 -23.393 24.107 -17.239 1.00 23.21 H new ATOM 0 HZ3 LYS A 60 -23.105 24.043 -18.911 1.00 23.21 H new ATOM 1025 N PHE A 61 -25.675 16.945 -17.189 1.00 21.15 N ATOM 1026 CA PHE A 61 -25.862 15.778 -18.043 1.00 1.01 C ATOM 1027 C PHE A 61 -27.334 15.596 -18.400 1.00 51.04 C ATOM 1028 O PHE A 61 -27.682 14.768 -19.241 1.00 53.00 O ATOM 1029 CB PHE A 61 -25.335 14.521 -17.348 1.00 30.13 C ATOM 1030 CG PHE A 61 -24.007 14.056 -17.875 1.00 15.34 C ATOM 1031 CD1 PHE A 61 -23.941 13.180 -18.946 1.00 3.01 C ATOM 1032 CD2 PHE A 61 -22.826 14.496 -17.299 1.00 54.11 C ATOM 1033 CE1 PHE A 61 -22.720 12.750 -19.432 1.00 54.41 C ATOM 1034 CE2 PHE A 61 -21.603 14.070 -17.781 1.00 40.23 C ATOM 1035 CZ PHE A 61 -21.550 13.197 -18.850 1.00 31.01 C ATOM 0 H PHE A 61 -25.512 16.726 -16.206 1.00 21.15 H new ATOM 0 HA PHE A 61 -25.300 15.938 -18.963 1.00 1.01 H new ATOM 0 HB2 PHE A 61 -25.244 14.717 -16.280 1.00 30.13 H new ATOM 0 HB3 PHE A 61 -26.064 13.719 -17.464 1.00 30.13 H new ATOM 0 HD1 PHE A 61 -24.853 12.829 -19.406 1.00 3.01 H new ATOM 0 HD2 PHE A 61 -22.862 15.180 -16.464 1.00 54.11 H new ATOM 0 HE1 PHE A 61 -22.681 12.065 -20.266 1.00 54.41 H new ATOM 0 HE2 PHE A 61 -20.690 14.419 -17.322 1.00 40.23 H new ATOM 0 HZ PHE A 61 -20.595 12.865 -19.230 1.00 31.01 H new ATOM 1045 N GLY A 62 -28.195 16.377 -17.754 1.00 61.41 N ATOM 1046 CA GLY A 62 -29.619 16.286 -18.016 1.00 54.32 C ATOM 1047 C GLY A 62 -30.351 15.469 -16.970 1.00 2.22 C ATOM 1048 O GLY A 62 -31.449 14.972 -17.216 1.00 11.51 O ATOM 0 H GLY A 62 -27.931 17.071 -17.054 1.00 61.41 H new ATOM 0 HA2 GLY A 62 -30.043 17.289 -18.051 1.00 54.32 H new ATOM 0 HA3 GLY A 62 -29.777 15.839 -18.997 1.00 54.32 H new ATOM 1052 N GLY A 63 -29.739 15.328 -15.797 1.00 74.15 N ATOM 1053 CA GLY A 63 -30.353 14.563 -14.728 1.00 74.31 C ATOM 1054 C GLY A 63 -29.955 13.101 -14.759 1.00 21.43 C ATOM 1055 O GLY A 63 -29.572 12.576 -15.804 1.00 54.32 O ATOM 0 H GLY A 63 -28.830 15.730 -15.569 1.00 74.15 H new ATOM 0 HA2 GLY A 63 -30.069 14.993 -13.768 1.00 74.31 H new ATOM 0 HA3 GLY A 63 -31.437 14.643 -14.805 1.00 74.31 H new ATOM 1059 N ALA A 64 -30.043 12.441 -13.608 1.00 63.34 N ATOM 1060 CA ALA A 64 -29.689 11.030 -13.508 1.00 4.43 C ATOM 1061 C ALA A 64 -30.399 10.208 -14.577 1.00 54.24 C ATOM 1062 O ALA A 64 -29.867 9.209 -15.061 1.00 53.03 O ATOM 1063 CB ALA A 64 -30.024 10.500 -12.122 1.00 21.32 C ATOM 0 H ALA A 64 -30.356 12.861 -12.733 1.00 63.34 H new ATOM 0 HA ALA A 64 -28.615 10.938 -13.671 1.00 4.43 H new ATOM 0 HB1 ALA A 64 -29.755 9.446 -12.061 1.00 21.32 H new ATOM 0 HB2 ALA A 64 -29.465 11.061 -11.373 1.00 21.32 H new ATOM 0 HB3 ALA A 64 -31.092 10.613 -11.938 1.00 21.32 H new ATOM 1069 N ASP A 65 -31.604 10.634 -14.941 1.00 42.43 N ATOM 1070 CA ASP A 65 -32.388 9.937 -15.954 1.00 44.44 C ATOM 1071 C ASP A 65 -31.683 9.974 -17.307 1.00 21.11 C ATOM 1072 O ASP A 65 -31.726 9.006 -18.066 1.00 32.15 O ATOM 1073 CB ASP A 65 -33.778 10.562 -16.073 1.00 55.50 C ATOM 1074 CG ASP A 65 -34.545 10.522 -14.765 1.00 43.45 C ATOM 1075 OD1 ASP A 65 -35.133 9.466 -14.454 1.00 75.35 O ATOM 1076 OD2 ASP A 65 -34.555 11.548 -14.053 1.00 22.54 O ATOM 0 H ASP A 65 -32.059 11.459 -14.549 1.00 42.43 H new ATOM 0 HA ASP A 65 -32.491 8.897 -15.646 1.00 44.44 H new ATOM 0 HB2 ASP A 65 -33.681 11.596 -16.402 1.00 55.50 H new ATOM 0 HB3 ASP A 65 -34.346 10.035 -16.840 1.00 55.50 H new ATOM 1081 N GLN A 66 -31.036 11.097 -17.601 1.00 51.03 N ATOM 1082 CA GLN A 66 -30.324 11.260 -18.863 1.00 60.53 C ATOM 1083 C GLN A 66 -29.096 10.356 -18.916 1.00 11.54 C ATOM 1084 O GLN A 66 -28.761 9.807 -19.965 1.00 44.52 O ATOM 1085 CB GLN A 66 -29.907 12.719 -19.054 1.00 30.13 C ATOM 1086 CG GLN A 66 -29.680 13.102 -20.507 1.00 42.01 C ATOM 1087 CD GLN A 66 -30.408 14.373 -20.896 1.00 40.51 C ATOM 1088 OE1 GLN A 66 -29.798 15.330 -21.375 1.00 12.22 O ATOM 1089 NE2 GLN A 66 -31.720 14.391 -20.692 1.00 70.54 N ATOM 0 H GLN A 66 -30.990 11.907 -16.983 1.00 51.03 H new ATOM 0 HA GLN A 66 -30.998 10.974 -19.671 1.00 60.53 H new ATOM 0 HB2 GLN A 66 -30.676 13.366 -18.632 1.00 30.13 H new ATOM 0 HB3 GLN A 66 -28.992 12.903 -18.491 1.00 30.13 H new ATOM 0 HG2 GLN A 66 -28.612 13.232 -20.682 1.00 42.01 H new ATOM 0 HG3 GLN A 66 -30.012 12.287 -21.150 1.00 42.01 H new ATOM 0 HE21 GLN A 66 -32.185 13.576 -20.293 1.00 70.54 H new ATOM 0 HE22 GLN A 66 -32.263 15.220 -20.935 1.00 70.54 H new ATOM 1098 N VAL A 67 -28.428 10.207 -17.776 1.00 14.11 N ATOM 1099 CA VAL A 67 -27.238 9.370 -17.692 1.00 24.04 C ATOM 1100 C VAL A 67 -27.583 7.900 -17.900 1.00 74.10 C ATOM 1101 O VAL A 67 -26.810 7.146 -18.491 1.00 24.42 O ATOM 1102 CB VAL A 67 -26.533 9.532 -16.332 1.00 4.42 C ATOM 1103 CG1 VAL A 67 -25.194 8.809 -16.334 1.00 55.02 C ATOM 1104 CG2 VAL A 67 -26.351 11.006 -15.999 1.00 30.41 C ATOM 0 H VAL A 67 -28.691 10.655 -16.898 1.00 14.11 H new ATOM 0 HA VAL A 67 -26.565 9.698 -18.484 1.00 24.04 H new ATOM 0 HB VAL A 67 -27.160 9.083 -15.562 1.00 4.42 H new ATOM 0 HG11 VAL A 67 -24.711 8.935 -15.365 1.00 55.02 H new ATOM 0 HG12 VAL A 67 -25.354 7.748 -16.525 1.00 55.02 H new ATOM 0 HG13 VAL A 67 -24.557 9.226 -17.114 1.00 55.02 H new ATOM 0 HG21 VAL A 67 -25.851 11.102 -15.035 1.00 30.41 H new ATOM 0 HG22 VAL A 67 -25.745 11.481 -16.771 1.00 30.41 H new ATOM 0 HG23 VAL A 67 -27.326 11.492 -15.953 1.00 30.41 H new ATOM 1114 N THR A 68 -28.752 7.497 -17.411 1.00 55.42 N ATOM 1115 CA THR A 68 -29.202 6.117 -17.543 1.00 4.20 C ATOM 1116 C THR A 68 -29.904 5.893 -18.877 1.00 35.31 C ATOM 1117 O THR A 68 -29.898 4.785 -19.414 1.00 45.02 O ATOM 1118 CB THR A 68 -30.157 5.726 -16.400 1.00 31.11 C ATOM 1119 OG1 THR A 68 -30.543 4.353 -16.532 1.00 42.22 O ATOM 1120 CG2 THR A 68 -31.396 6.609 -16.404 1.00 21.31 C ATOM 0 H THR A 68 -29.405 8.108 -16.920 1.00 55.42 H new ATOM 0 HA THR A 68 -28.313 5.488 -17.494 1.00 4.20 H new ATOM 0 HB THR A 68 -29.633 5.866 -15.454 1.00 31.11 H new ATOM 0 HG1 THR A 68 -31.149 4.112 -15.801 1.00 42.22 H new ATOM 0 HG21 THR A 68 -32.056 6.314 -15.588 1.00 21.31 H new ATOM 0 HG22 THR A 68 -31.101 7.650 -16.274 1.00 21.31 H new ATOM 0 HG23 THR A 68 -31.920 6.496 -17.353 1.00 21.31 H new ATOM 1128 N ARG A 69 -30.510 6.950 -19.407 1.00 1.41 N ATOM 1129 CA ARG A 69 -31.218 6.868 -20.679 1.00 20.14 C ATOM 1130 C ARG A 69 -30.299 6.347 -21.780 1.00 1.22 C ATOM 1131 O ARG A 69 -30.698 5.516 -22.596 1.00 53.34 O ATOM 1132 CB ARG A 69 -31.772 8.240 -21.068 1.00 60.42 C ATOM 1133 CG ARG A 69 -32.657 8.210 -22.303 1.00 54.43 C ATOM 1134 CD ARG A 69 -32.601 9.528 -23.060 1.00 51.13 C ATOM 1135 NE ARG A 69 -33.566 10.496 -22.546 1.00 3.51 N ATOM 1136 CZ ARG A 69 -33.803 11.672 -23.117 1.00 42.11 C ATOM 1137 NH1 ARG A 69 -33.149 12.023 -24.216 1.00 20.11 N ATOM 1138 NH2 ARG A 69 -34.696 12.499 -22.589 1.00 40.43 N ATOM 0 H ARG A 69 -30.525 7.874 -18.975 1.00 1.41 H new ATOM 0 HA ARG A 69 -32.047 6.170 -20.561 1.00 20.14 H new ATOM 0 HB2 ARG A 69 -32.343 8.643 -20.231 1.00 60.42 H new ATOM 0 HB3 ARG A 69 -30.940 8.922 -21.244 1.00 60.42 H new ATOM 0 HG2 ARG A 69 -32.341 7.399 -22.959 1.00 54.43 H new ATOM 0 HG3 ARG A 69 -33.686 8.001 -22.010 1.00 54.43 H new ATOM 0 HD2 ARG A 69 -31.596 9.945 -22.988 1.00 51.13 H new ATOM 0 HD3 ARG A 69 -32.797 9.347 -24.117 1.00 51.13 H new ATOM 0 HE ARG A 69 -34.087 10.256 -21.702 1.00 3.51 H new ATOM 0 HH11 ARG A 69 -32.462 11.390 -24.625 1.00 20.11 H new ATOM 0 HH12 ARG A 69 -33.333 12.926 -24.652 1.00 20.11 H new ATOM 0 HH21 ARG A 69 -35.201 12.232 -21.744 1.00 40.43 H new ATOM 0 HH22 ARG A 69 -34.877 13.402 -23.028 1.00 40.43 H new ATOM 1152 N THR A 70 -29.065 6.842 -21.797 1.00 21.32 N ATOM 1153 CA THR A 70 -28.090 6.428 -22.798 1.00 4.42 C ATOM 1154 C THR A 70 -27.123 5.395 -22.230 1.00 53.11 C ATOM 1155 O THR A 70 -26.154 5.013 -22.885 1.00 51.54 O ATOM 1156 CB THR A 70 -27.285 7.630 -23.328 1.00 51.11 C ATOM 1157 OG1 THR A 70 -27.382 8.727 -22.413 1.00 14.12 O ATOM 1158 CG2 THR A 70 -27.791 8.059 -24.697 1.00 75.30 C ATOM 0 H THR A 70 -28.718 7.530 -21.129 1.00 21.32 H new ATOM 0 HA THR A 70 -28.651 5.983 -23.620 1.00 4.42 H new ATOM 0 HB THR A 70 -26.242 7.327 -23.422 1.00 51.11 H new ATOM 0 HG1 THR A 70 -26.866 9.486 -22.757 1.00 14.12 H new ATOM 0 HG21 THR A 70 -27.207 8.909 -25.051 1.00 75.30 H new ATOM 0 HG22 THR A 70 -27.688 7.231 -25.399 1.00 75.30 H new ATOM 0 HG23 THR A 70 -28.840 8.345 -24.624 1.00 75.30 H new ATOM 1166 N GLN A 71 -27.395 4.946 -21.009 1.00 4.11 N ATOM 1167 CA GLN A 71 -26.548 3.956 -20.354 1.00 3.21 C ATOM 1168 C GLN A 71 -25.098 4.426 -20.306 1.00 43.41 C ATOM 1169 O GLN A 71 -24.185 3.689 -20.676 1.00 45.33 O ATOM 1170 CB GLN A 71 -26.637 2.615 -21.083 1.00 75.43 C ATOM 1171 CG GLN A 71 -26.020 1.460 -20.311 1.00 65.14 C ATOM 1172 CD GLN A 71 -27.006 0.789 -19.376 1.00 72.34 C ATOM 1173 OE1 GLN A 71 -28.218 0.854 -19.583 1.00 53.41 O ATOM 1174 NE2 GLN A 71 -26.491 0.137 -18.340 1.00 51.32 N ATOM 0 H GLN A 71 -28.194 5.252 -20.454 1.00 4.11 H new ATOM 0 HA GLN A 71 -26.904 3.830 -19.332 1.00 3.21 H new ATOM 0 HB2 GLN A 71 -27.684 2.389 -21.283 1.00 75.43 H new ATOM 0 HB3 GLN A 71 -26.139 2.702 -22.049 1.00 75.43 H new ATOM 0 HG2 GLN A 71 -25.634 0.723 -21.015 1.00 65.14 H new ATOM 0 HG3 GLN A 71 -25.170 1.826 -19.735 1.00 65.14 H new ATOM 0 HE21 GLN A 71 -25.480 0.109 -18.207 1.00 51.32 H new ATOM 0 HE22 GLN A 71 -27.106 -0.335 -17.678 1.00 51.32 H new ATOM 1183 N GLN A 72 -24.895 5.658 -19.848 1.00 61.44 N ATOM 1184 CA GLN A 72 -23.555 6.226 -19.754 1.00 34.23 C ATOM 1185 C GLN A 72 -23.104 6.317 -18.300 1.00 14.24 C ATOM 1186 O GLN A 72 -21.995 6.766 -18.011 1.00 21.20 O ATOM 1187 CB GLN A 72 -23.520 7.612 -20.399 1.00 43.12 C ATOM 1188 CG GLN A 72 -22.628 7.688 -21.628 1.00 4.53 C ATOM 1189 CD GLN A 72 -22.709 9.032 -22.325 1.00 63.02 C ATOM 1190 OE1 GLN A 72 -22.049 9.992 -21.927 1.00 11.35 O ATOM 1191 NE2 GLN A 72 -23.520 9.107 -23.374 1.00 32.04 N ATOM 0 H GLN A 72 -25.640 6.281 -19.537 1.00 61.44 H new ATOM 0 HA GLN A 72 -22.870 5.567 -20.288 1.00 34.23 H new ATOM 0 HB2 GLN A 72 -24.534 7.900 -20.678 1.00 43.12 H new ATOM 0 HB3 GLN A 72 -23.173 8.338 -19.663 1.00 43.12 H new ATOM 0 HG2 GLN A 72 -21.596 7.496 -21.336 1.00 4.53 H new ATOM 0 HG3 GLN A 72 -22.912 6.902 -22.328 1.00 4.53 H new ATOM 0 HE21 GLN A 72 -24.049 8.286 -23.670 1.00 32.04 H new ATOM 0 HE22 GLN A 72 -23.614 9.985 -23.884 1.00 32.04 H new ATOM 1200 N TRP A 73 -23.971 5.890 -17.389 1.00 33.11 N ATOM 1201 CA TRP A 73 -23.662 5.924 -15.964 1.00 3.20 C ATOM 1202 C TRP A 73 -22.401 5.122 -15.661 1.00 41.04 C ATOM 1203 O TRP A 73 -21.615 5.489 -14.788 1.00 12.21 O ATOM 1204 CB TRP A 73 -24.837 5.376 -15.153 1.00 3.15 C ATOM 1205 CG TRP A 73 -24.527 5.212 -13.695 1.00 51.13 C ATOM 1206 CD1 TRP A 73 -24.310 6.208 -12.786 1.00 73.03 C ATOM 1207 CD2 TRP A 73 -24.398 3.978 -12.980 1.00 41.43 C ATOM 1208 NE1 TRP A 73 -24.054 5.668 -11.549 1.00 71.41 N ATOM 1209 CE2 TRP A 73 -24.103 4.302 -11.641 1.00 61.13 C ATOM 1210 CE3 TRP A 73 -24.505 2.632 -13.340 1.00 43.30 C ATOM 1211 CZ2 TRP A 73 -23.913 3.328 -10.665 1.00 61.40 C ATOM 1212 CZ3 TRP A 73 -24.316 1.667 -12.370 1.00 25.41 C ATOM 1213 CH2 TRP A 73 -24.023 2.018 -11.045 1.00 72.33 C ATOM 0 H TRP A 73 -24.894 5.516 -17.612 1.00 33.11 H new ATOM 0 HA TRP A 73 -23.487 6.962 -15.680 1.00 3.20 H new ATOM 0 HB2 TRP A 73 -25.689 6.047 -15.263 1.00 3.15 H new ATOM 0 HB3 TRP A 73 -25.135 4.412 -15.565 1.00 3.15 H new ATOM 0 HD1 TRP A 73 -24.336 7.265 -13.007 1.00 73.03 H new ATOM 0 HE1 TRP A 73 -23.859 6.198 -10.700 1.00 71.41 H new ATOM 0 HE3 TRP A 73 -24.731 2.351 -14.358 1.00 43.30 H new ATOM 0 HZ2 TRP A 73 -23.687 3.597 -9.644 1.00 61.40 H new ATOM 0 HZ3 TRP A 73 -24.395 0.624 -12.637 1.00 25.41 H new ATOM 0 HH2 TRP A 73 -23.881 1.240 -10.310 1.00 72.33 H new ATOM 1224 N SER A 74 -22.213 4.025 -16.389 1.00 14.42 N ATOM 1225 CA SER A 74 -21.049 3.169 -16.195 1.00 41.41 C ATOM 1226 C SER A 74 -19.761 3.923 -16.513 1.00 54.53 C ATOM 1227 O SER A 74 -18.792 3.864 -15.758 1.00 64.10 O ATOM 1228 CB SER A 74 -21.154 1.923 -17.075 1.00 60.43 C ATOM 1229 OG SER A 74 -21.881 2.195 -18.261 1.00 3.10 O ATOM 0 H SER A 74 -22.852 3.709 -17.118 1.00 14.42 H new ATOM 0 HA SER A 74 -21.023 2.865 -15.149 1.00 41.41 H new ATOM 0 HB2 SER A 74 -20.155 1.569 -17.330 1.00 60.43 H new ATOM 0 HB3 SER A 74 -21.644 1.123 -16.520 1.00 60.43 H new ATOM 0 HG SER A 74 -21.932 1.383 -18.807 1.00 3.10 H new ATOM 1235 N MET A 75 -19.761 4.633 -17.637 1.00 62.54 N ATOM 1236 CA MET A 75 -18.593 5.400 -18.056 1.00 34.30 C ATOM 1237 C MET A 75 -18.412 6.635 -17.180 1.00 21.04 C ATOM 1238 O MET A 75 -17.310 6.918 -16.710 1.00 1.44 O ATOM 1239 CB MET A 75 -18.729 5.816 -19.522 1.00 64.40 C ATOM 1240 CG MET A 75 -18.064 4.851 -20.491 1.00 4.50 C ATOM 1241 SD MET A 75 -19.243 4.060 -21.602 1.00 45.03 S ATOM 1242 CE MET A 75 -18.585 2.395 -21.663 1.00 50.14 C ATOM 0 H MET A 75 -20.556 4.693 -18.273 1.00 62.54 H new ATOM 0 HA MET A 75 -17.713 4.766 -17.946 1.00 34.30 H new ATOM 0 HB2 MET A 75 -19.787 5.898 -19.772 1.00 64.40 H new ATOM 0 HB3 MET A 75 -18.294 6.807 -19.652 1.00 64.40 H new ATOM 0 HG2 MET A 75 -17.320 5.388 -21.079 1.00 4.50 H new ATOM 0 HG3 MET A 75 -17.532 4.085 -19.927 1.00 4.50 H new ATOM 0 HE1 MET A 75 -19.208 1.781 -22.313 1.00 50.14 H new ATOM 0 HE2 MET A 75 -17.568 2.420 -22.053 1.00 50.14 H new ATOM 0 HE3 MET A 75 -18.578 1.969 -20.660 1.00 50.14 H new ATOM 1252 N VAL A 76 -19.500 7.367 -16.964 1.00 11.22 N ATOM 1253 CA VAL A 76 -19.461 8.572 -16.143 1.00 63.32 C ATOM 1254 C VAL A 76 -19.002 8.255 -14.724 1.00 53.11 C ATOM 1255 O VAL A 76 -18.154 8.950 -14.165 1.00 52.03 O ATOM 1256 CB VAL A 76 -20.839 9.256 -16.085 1.00 11.51 C ATOM 1257 CG1 VAL A 76 -20.779 10.506 -15.219 1.00 62.23 C ATOM 1258 CG2 VAL A 76 -21.327 9.592 -17.486 1.00 64.13 C ATOM 0 H VAL A 76 -20.420 7.147 -17.346 1.00 11.22 H new ATOM 0 HA VAL A 76 -18.747 9.250 -16.610 1.00 63.32 H new ATOM 0 HB VAL A 76 -21.550 8.564 -15.634 1.00 11.51 H new ATOM 0 HG11 VAL A 76 -21.762 10.976 -15.190 1.00 62.23 H new ATOM 0 HG12 VAL A 76 -20.477 10.234 -14.208 1.00 62.23 H new ATOM 0 HG13 VAL A 76 -20.055 11.205 -15.638 1.00 62.23 H new ATOM 0 HG21 VAL A 76 -22.302 10.075 -17.426 1.00 64.13 H new ATOM 0 HG22 VAL A 76 -20.618 10.266 -17.967 1.00 64.13 H new ATOM 0 HG23 VAL A 76 -21.411 8.676 -18.071 1.00 64.13 H new ATOM 1268 N ALA A 77 -19.569 7.201 -14.146 1.00 61.24 N ATOM 1269 CA ALA A 77 -19.217 6.790 -12.793 1.00 44.10 C ATOM 1270 C ALA A 77 -17.715 6.563 -12.662 1.00 25.33 C ATOM 1271 O ALA A 77 -17.116 6.891 -11.638 1.00 23.11 O ATOM 1272 CB ALA A 77 -19.979 5.530 -12.409 1.00 4.54 C ATOM 0 H ALA A 77 -20.274 6.616 -14.594 1.00 61.24 H new ATOM 0 HA ALA A 77 -19.498 7.593 -12.111 1.00 44.10 H new ATOM 0 HB1 ALA A 77 -19.706 5.234 -11.396 1.00 4.54 H new ATOM 0 HB2 ALA A 77 -21.050 5.725 -12.454 1.00 4.54 H new ATOM 0 HB3 ALA A 77 -19.727 4.727 -13.102 1.00 4.54 H new ATOM 1278 N GLN A 78 -17.113 5.999 -13.704 1.00 63.20 N ATOM 1279 CA GLN A 78 -15.680 5.727 -13.703 1.00 72.42 C ATOM 1280 C GLN A 78 -14.880 7.023 -13.625 1.00 60.44 C ATOM 1281 O GLN A 78 -13.794 7.059 -13.046 1.00 15.32 O ATOM 1282 CB GLN A 78 -15.287 4.945 -14.958 1.00 54.32 C ATOM 1283 CG GLN A 78 -13.791 4.709 -15.084 1.00 50.34 C ATOM 1284 CD GLN A 78 -13.113 5.728 -15.979 1.00 61.02 C ATOM 1285 OE1 GLN A 78 -13.701 6.751 -16.331 1.00 42.11 O ATOM 1286 NE2 GLN A 78 -11.869 5.453 -16.352 1.00 44.25 N ATOM 0 H GLN A 78 -17.595 5.722 -14.559 1.00 63.20 H new ATOM 0 HA GLN A 78 -15.450 5.126 -12.823 1.00 72.42 H new ATOM 0 HB2 GLN A 78 -15.799 3.983 -14.952 1.00 54.32 H new ATOM 0 HB3 GLN A 78 -15.636 5.486 -15.837 1.00 54.32 H new ATOM 0 HG2 GLN A 78 -13.337 4.742 -14.094 1.00 50.34 H new ATOM 0 HG3 GLN A 78 -13.617 3.709 -15.481 1.00 50.34 H new ATOM 0 HE21 GLN A 78 -11.420 4.593 -16.036 1.00 44.25 H new ATOM 0 HE22 GLN A 78 -11.362 6.102 -16.954 1.00 44.25 H new ATOM 1295 N ARG A 79 -15.423 8.084 -14.213 1.00 61.32 N ATOM 1296 CA ARG A 79 -14.758 9.381 -14.212 1.00 15.43 C ATOM 1297 C ARG A 79 -14.497 9.857 -12.785 1.00 63.55 C ATOM 1298 O ARG A 79 -13.420 10.370 -12.478 1.00 51.24 O ATOM 1299 CB ARG A 79 -15.607 10.414 -14.957 1.00 20.52 C ATOM 1300 CG ARG A 79 -14.837 11.184 -16.017 1.00 1.13 C ATOM 1301 CD ARG A 79 -15.721 11.533 -17.204 1.00 2.42 C ATOM 1302 NE ARG A 79 -15.190 11.003 -18.457 1.00 25.15 N ATOM 1303 CZ ARG A 79 -15.558 11.441 -19.655 1.00 41.31 C ATOM 1304 NH1 ARG A 79 -16.454 12.413 -19.763 1.00 31.52 N ATOM 1305 NH2 ARG A 79 -15.029 10.908 -20.749 1.00 52.32 N ATOM 0 H ARG A 79 -16.321 8.071 -14.696 1.00 61.32 H new ATOM 0 HA ARG A 79 -13.801 9.271 -14.722 1.00 15.43 H new ATOM 0 HB2 ARG A 79 -16.450 9.908 -15.428 1.00 20.52 H new ATOM 0 HB3 ARG A 79 -16.021 11.119 -14.236 1.00 20.52 H new ATOM 0 HG2 ARG A 79 -14.432 12.098 -15.582 1.00 1.13 H new ATOM 0 HG3 ARG A 79 -13.989 10.589 -16.356 1.00 1.13 H new ATOM 0 HD2 ARG A 79 -16.723 11.137 -17.039 1.00 2.42 H new ATOM 0 HD3 ARG A 79 -15.815 12.616 -17.280 1.00 2.42 H new ATOM 0 HE ARG A 79 -14.498 10.255 -18.409 1.00 25.15 H new ATOM 0 HH11 ARG A 79 -16.862 12.826 -18.924 1.00 31.52 H new ATOM 0 HH12 ARG A 79 -16.735 12.748 -20.685 1.00 31.52 H new ATOM 0 HH21 ARG A 79 -14.339 10.161 -20.670 1.00 52.32 H new ATOM 0 HH22 ARG A 79 -15.312 11.245 -21.669 1.00 52.32 H new ATOM 1319 N LEU A 80 -15.488 9.682 -11.918 1.00 42.32 N ATOM 1320 CA LEU A 80 -15.365 10.093 -10.524 1.00 15.41 C ATOM 1321 C LEU A 80 -14.997 8.908 -9.637 1.00 51.40 C ATOM 1322 O LEU A 80 -14.789 9.063 -8.434 1.00 41.10 O ATOM 1323 CB LEU A 80 -16.674 10.720 -10.040 1.00 33.03 C ATOM 1324 CG LEU A 80 -17.956 9.982 -10.429 1.00 41.52 C ATOM 1325 CD1 LEU A 80 -19.008 10.130 -9.341 1.00 71.51 C ATOM 1326 CD2 LEU A 80 -18.485 10.499 -11.759 1.00 54.10 C ATOM 0 H LEU A 80 -16.385 9.259 -12.155 1.00 42.32 H new ATOM 0 HA LEU A 80 -14.568 10.833 -10.458 1.00 15.41 H new ATOM 0 HB2 LEU A 80 -16.637 10.795 -8.953 1.00 33.03 H new ATOM 0 HB3 LEU A 80 -16.732 11.737 -10.428 1.00 33.03 H new ATOM 0 HG LEU A 80 -17.724 8.923 -10.539 1.00 41.52 H new ATOM 0 HD11 LEU A 80 -19.913 9.599 -9.635 1.00 71.51 H new ATOM 0 HD12 LEU A 80 -18.629 9.712 -8.409 1.00 71.51 H new ATOM 0 HD13 LEU A 80 -19.238 11.186 -9.198 1.00 71.51 H new ATOM 0 HD21 LEU A 80 -19.397 9.963 -12.021 1.00 54.10 H new ATOM 0 HD22 LEU A 80 -18.701 11.564 -11.675 1.00 54.10 H new ATOM 0 HD23 LEU A 80 -17.736 10.341 -12.535 1.00 54.10 H new ATOM 1338 N GLN A 81 -14.917 7.727 -10.240 1.00 63.23 N ATOM 1339 CA GLN A 81 -14.572 6.516 -9.505 1.00 4.02 C ATOM 1340 C GLN A 81 -15.637 6.190 -8.463 1.00 62.43 C ATOM 1341 O GLN A 81 -15.323 5.933 -7.300 1.00 54.24 O ATOM 1342 CB GLN A 81 -13.210 6.677 -8.826 1.00 72.22 C ATOM 1343 CG GLN A 81 -12.647 5.376 -8.277 1.00 0.13 C ATOM 1344 CD GLN A 81 -11.790 5.586 -7.044 1.00 63.01 C ATOM 1345 OE1 GLN A 81 -10.629 5.176 -7.004 1.00 34.23 O ATOM 1346 NE2 GLN A 81 -12.358 6.228 -6.030 1.00 23.11 N ATOM 0 H GLN A 81 -15.086 7.583 -11.235 1.00 63.23 H new ATOM 0 HA GLN A 81 -14.521 5.692 -10.216 1.00 4.02 H new ATOM 0 HB2 GLN A 81 -12.503 7.095 -9.543 1.00 72.22 H new ATOM 0 HB3 GLN A 81 -13.302 7.396 -8.012 1.00 72.22 H new ATOM 0 HG2 GLN A 81 -13.469 4.703 -8.033 1.00 0.13 H new ATOM 0 HG3 GLN A 81 -12.053 4.887 -9.049 1.00 0.13 H new ATOM 0 HE21 GLN A 81 -13.323 6.550 -6.107 1.00 23.11 H new ATOM 0 HE22 GLN A 81 -11.830 6.399 -5.174 1.00 23.11 H new ATOM 1355 N ILE A 82 -16.896 6.201 -8.888 1.00 43.31 N ATOM 1356 CA ILE A 82 -18.007 5.906 -7.992 1.00 24.31 C ATOM 1357 C ILE A 82 -18.560 4.507 -8.244 1.00 45.23 C ATOM 1358 O ILE A 82 -19.146 3.891 -7.355 1.00 73.41 O ATOM 1359 CB ILE A 82 -19.145 6.931 -8.149 1.00 3.54 C ATOM 1360 CG1 ILE A 82 -20.264 6.641 -7.147 1.00 74.53 C ATOM 1361 CG2 ILE A 82 -19.682 6.913 -9.572 1.00 4.50 C ATOM 1362 CD1 ILE A 82 -20.761 7.871 -6.422 1.00 54.41 C ATOM 0 H ILE A 82 -17.172 6.411 -9.847 1.00 43.31 H new ATOM 0 HA ILE A 82 -17.616 5.962 -6.976 1.00 24.31 H new ATOM 0 HB ILE A 82 -18.749 7.926 -7.944 1.00 3.54 H new ATOM 0 HG12 ILE A 82 -21.099 6.177 -7.672 1.00 74.53 H new ATOM 0 HG13 ILE A 82 -19.906 5.918 -6.415 1.00 74.53 H new ATOM 0 HG21 ILE A 82 -20.486 7.643 -9.667 1.00 4.50 H new ATOM 0 HG22 ILE A 82 -18.880 7.164 -10.267 1.00 4.50 H new ATOM 0 HG23 ILE A 82 -20.065 5.919 -9.804 1.00 4.50 H new ATOM 0 HD11 ILE A 82 -21.553 7.589 -5.728 1.00 54.41 H new ATOM 0 HD12 ILE A 82 -19.939 8.324 -5.869 1.00 54.41 H new ATOM 0 HD13 ILE A 82 -21.150 8.587 -7.145 1.00 54.41 H new ATOM 1374 N SER A 83 -18.367 4.012 -9.462 1.00 64.55 N ATOM 1375 CA SER A 83 -18.848 2.686 -9.833 1.00 64.13 C ATOM 1376 C SER A 83 -17.853 1.985 -10.753 1.00 63.42 C ATOM 1377 O SER A 83 -18.167 1.670 -11.901 1.00 51.23 O ATOM 1378 CB SER A 83 -20.210 2.789 -10.521 1.00 34.41 C ATOM 1379 OG SER A 83 -21.021 3.772 -9.902 1.00 33.14 O ATOM 0 H SER A 83 -17.881 4.509 -10.209 1.00 64.55 H new ATOM 0 HA SER A 83 -18.952 2.096 -8.922 1.00 64.13 H new ATOM 0 HB2 SER A 83 -20.071 3.037 -11.573 1.00 34.41 H new ATOM 0 HB3 SER A 83 -20.713 1.823 -10.485 1.00 34.41 H new ATOM 0 HG SER A 83 -21.965 3.539 -10.021 1.00 33.14 H new ATOM 1385 N ASP A 84 -16.651 1.743 -10.240 1.00 75.03 N ATOM 1386 CA ASP A 84 -15.609 1.078 -11.014 1.00 13.01 C ATOM 1387 C ASP A 84 -15.683 -0.435 -10.837 1.00 22.35 C ATOM 1388 O ASP A 84 -14.726 -1.065 -10.384 1.00 13.43 O ATOM 1389 CB ASP A 84 -14.229 1.587 -10.594 1.00 35.10 C ATOM 1390 CG ASP A 84 -13.803 2.815 -11.374 1.00 71.22 C ATOM 1391 OD1 ASP A 84 -14.179 2.924 -12.560 1.00 64.40 O ATOM 1392 OD2 ASP A 84 -13.093 3.667 -10.799 1.00 70.53 O ATOM 0 H ASP A 84 -16.374 1.997 -9.292 1.00 75.03 H new ATOM 0 HA ASP A 84 -15.768 1.310 -12.067 1.00 13.01 H new ATOM 0 HB2 ASP A 84 -14.240 1.822 -9.530 1.00 35.10 H new ATOM 0 HB3 ASP A 84 -13.494 0.795 -10.738 1.00 35.10 H new ATOM 1397 N TYR A 85 -16.824 -1.013 -11.195 1.00 61.01 N ATOM 1398 CA TYR A 85 -17.024 -2.452 -11.072 1.00 63.12 C ATOM 1399 C TYR A 85 -17.122 -2.865 -9.607 1.00 25.41 C ATOM 1400 O TYR A 85 -17.766 -2.192 -8.803 1.00 44.12 O ATOM 1401 CB TYR A 85 -15.880 -3.207 -11.751 1.00 45.22 C ATOM 1402 CG TYR A 85 -15.460 -2.607 -13.074 1.00 64.12 C ATOM 1403 CD1 TYR A 85 -16.376 -2.435 -14.104 1.00 15.12 C ATOM 1404 CD2 TYR A 85 -14.146 -2.212 -13.294 1.00 42.22 C ATOM 1405 CE1 TYR A 85 -15.997 -1.888 -15.314 1.00 61.23 C ATOM 1406 CE2 TYR A 85 -13.758 -1.663 -14.501 1.00 45.20 C ATOM 1407 CZ TYR A 85 -14.687 -1.504 -15.508 1.00 5.40 C ATOM 1408 OH TYR A 85 -14.305 -0.957 -16.712 1.00 22.31 O ATOM 0 H TYR A 85 -17.625 -0.507 -11.573 1.00 61.01 H new ATOM 0 HA TYR A 85 -17.962 -2.706 -11.566 1.00 63.12 H new ATOM 0 HB2 TYR A 85 -15.020 -3.226 -11.081 1.00 45.22 H new ATOM 0 HB3 TYR A 85 -16.183 -4.242 -11.911 1.00 45.22 H new ATOM 0 HD1 TYR A 85 -17.403 -2.734 -13.956 1.00 15.12 H new ATOM 0 HD2 TYR A 85 -13.416 -2.336 -12.508 1.00 42.22 H new ATOM 0 HE1 TYR A 85 -16.723 -1.762 -16.104 1.00 61.23 H new ATOM 0 HE2 TYR A 85 -12.733 -1.360 -14.655 1.00 45.20 H new ATOM 0 HH TYR A 85 -13.350 -0.740 -16.684 1.00 22.31 H new ATOM 1418 N GLN A 86 -16.477 -3.977 -9.268 1.00 63.22 N ATOM 1419 CA GLN A 86 -16.491 -4.481 -7.900 1.00 23.10 C ATOM 1420 C GLN A 86 -16.126 -3.379 -6.910 1.00 64.54 C ATOM 1421 O GLN A 86 -16.635 -3.345 -5.791 1.00 14.11 O ATOM 1422 CB GLN A 86 -15.520 -5.654 -7.756 1.00 62.43 C ATOM 1423 CG GLN A 86 -14.079 -5.295 -8.080 1.00 3.43 C ATOM 1424 CD GLN A 86 -13.257 -6.498 -8.498 1.00 5.24 C ATOM 1425 OE1 GLN A 86 -13.358 -6.970 -9.630 1.00 65.13 O ATOM 1426 NE2 GLN A 86 -12.436 -7.001 -7.583 1.00 1.01 N ATOM 0 H GLN A 86 -15.939 -4.546 -9.922 1.00 63.22 H new ATOM 0 HA GLN A 86 -17.501 -4.825 -7.677 1.00 23.10 H new ATOM 0 HB2 GLN A 86 -15.570 -6.033 -6.735 1.00 62.43 H new ATOM 0 HB3 GLN A 86 -15.841 -6.463 -8.413 1.00 62.43 H new ATOM 0 HG2 GLN A 86 -14.064 -4.554 -8.880 1.00 3.43 H new ATOM 0 HG3 GLN A 86 -13.619 -4.831 -7.207 1.00 3.43 H new ATOM 0 HE21 GLN A 86 -12.384 -6.578 -6.656 1.00 1.01 H new ATOM 0 HE22 GLN A 86 -11.857 -7.811 -7.807 1.00 1.01 H new ATOM 1435 N GLN A 87 -15.240 -2.482 -7.332 1.00 31.25 N ATOM 1436 CA GLN A 87 -14.807 -1.380 -6.481 1.00 25.10 C ATOM 1437 C GLN A 87 -16.000 -0.561 -6.000 1.00 70.33 C ATOM 1438 O GLN A 87 -15.965 0.032 -4.922 1.00 11.54 O ATOM 1439 CB GLN A 87 -13.827 -0.480 -7.236 1.00 25.40 C ATOM 1440 CG GLN A 87 -12.410 -0.527 -6.686 1.00 13.24 C ATOM 1441 CD GLN A 87 -11.797 0.851 -6.537 1.00 5.32 C ATOM 1442 OE1 GLN A 87 -11.301 1.431 -7.504 1.00 35.11 O ATOM 1443 NE2 GLN A 87 -11.826 1.384 -5.321 1.00 3.51 N ATOM 0 H GLN A 87 -14.809 -2.497 -8.256 1.00 31.25 H new ATOM 0 HA GLN A 87 -14.306 -1.802 -5.610 1.00 25.10 H new ATOM 0 HB2 GLN A 87 -13.811 -0.775 -8.285 1.00 25.40 H new ATOM 0 HB3 GLN A 87 -14.188 0.548 -7.199 1.00 25.40 H new ATOM 0 HG2 GLN A 87 -12.417 -1.024 -5.716 1.00 13.24 H new ATOM 0 HG3 GLN A 87 -11.787 -1.128 -7.348 1.00 13.24 H new ATOM 0 HE21 GLN A 87 -12.247 0.868 -4.548 1.00 3.51 H new ATOM 0 HE22 GLN A 87 -11.427 2.309 -5.160 1.00 3.51 H new ATOM 1452 N LEU A 88 -17.055 -0.533 -6.807 1.00 31.21 N ATOM 1453 CA LEU A 88 -18.261 0.213 -6.464 1.00 44.52 C ATOM 1454 C LEU A 88 -18.778 -0.190 -5.087 1.00 42.21 C ATOM 1455 O LEU A 88 -19.418 0.603 -4.398 1.00 12.31 O ATOM 1456 CB LEU A 88 -19.345 -0.020 -7.517 1.00 53.53 C ATOM 1457 CG LEU A 88 -20.205 -1.270 -7.330 1.00 12.11 C ATOM 1458 CD1 LEU A 88 -21.423 -0.957 -6.474 1.00 3.00 C ATOM 1459 CD2 LEU A 88 -20.629 -1.832 -8.679 1.00 35.54 C ATOM 0 H LEU A 88 -17.100 -1.018 -7.703 1.00 31.21 H new ATOM 0 HA LEU A 88 -18.008 1.273 -6.440 1.00 44.52 H new ATOM 0 HB2 LEU A 88 -20.002 0.850 -7.532 1.00 53.53 H new ATOM 0 HB3 LEU A 88 -18.867 -0.075 -8.495 1.00 53.53 H new ATOM 0 HG LEU A 88 -19.609 -2.024 -6.816 1.00 12.11 H new ATOM 0 HD11 LEU A 88 -22.023 -1.859 -6.352 1.00 3.00 H new ATOM 0 HD12 LEU A 88 -21.099 -0.602 -5.496 1.00 3.00 H new ATOM 0 HD13 LEU A 88 -22.021 -0.186 -6.960 1.00 3.00 H new ATOM 0 HD21 LEU A 88 -21.240 -2.721 -8.527 1.00 35.54 H new ATOM 0 HD22 LEU A 88 -21.207 -1.083 -9.220 1.00 35.54 H new ATOM 0 HD23 LEU A 88 -19.744 -2.095 -9.258 1.00 35.54 H new ATOM 1471 N GLU A 89 -18.493 -1.427 -4.693 1.00 34.13 N ATOM 1472 CA GLU A 89 -18.929 -1.934 -3.397 1.00 32.21 C ATOM 1473 C GLU A 89 -18.196 -1.226 -2.261 1.00 60.50 C ATOM 1474 O GLU A 89 -18.801 -0.850 -1.257 1.00 43.43 O ATOM 1475 CB GLU A 89 -18.693 -3.443 -3.309 1.00 63.41 C ATOM 1476 CG GLU A 89 -19.882 -4.215 -2.764 1.00 33.34 C ATOM 1477 CD GLU A 89 -19.657 -5.715 -2.769 1.00 50.22 C ATOM 1478 OE1 GLU A 89 -19.684 -6.314 -3.865 1.00 31.14 O ATOM 1479 OE2 GLU A 89 -19.454 -6.289 -1.679 1.00 50.11 O ATOM 0 H GLU A 89 -17.963 -2.096 -5.252 1.00 34.13 H new ATOM 0 HA GLU A 89 -19.996 -1.734 -3.298 1.00 32.21 H new ATOM 0 HB2 GLU A 89 -18.448 -3.822 -4.301 1.00 63.41 H new ATOM 0 HB3 GLU A 89 -17.827 -3.630 -2.674 1.00 63.41 H new ATOM 0 HG2 GLU A 89 -20.088 -3.886 -1.745 1.00 33.34 H new ATOM 0 HG3 GLU A 89 -20.765 -3.982 -3.359 1.00 33.34 H new ATOM 1486 N SER A 90 -16.889 -1.050 -2.427 1.00 71.24 N ATOM 1487 CA SER A 90 -16.072 -0.392 -1.415 1.00 65.11 C ATOM 1488 C SER A 90 -16.429 1.087 -1.305 1.00 74.10 C ATOM 1489 O SER A 90 -16.542 1.629 -0.205 1.00 52.12 O ATOM 1490 CB SER A 90 -14.587 -0.546 -1.750 1.00 5.45 C ATOM 1491 OG SER A 90 -14.299 -1.857 -2.202 1.00 63.14 O ATOM 0 H SER A 90 -16.373 -1.354 -3.253 1.00 71.24 H new ATOM 0 HA SER A 90 -16.273 -0.868 -0.455 1.00 65.11 H new ATOM 0 HB2 SER A 90 -14.307 0.176 -2.517 1.00 5.45 H new ATOM 0 HB3 SER A 90 -13.987 -0.322 -0.868 1.00 5.45 H new ATOM 0 HG SER A 90 -13.344 -1.929 -2.411 1.00 63.14 H new ATOM 1497 N ILE A 91 -16.607 1.733 -2.452 1.00 45.24 N ATOM 1498 CA ILE A 91 -16.953 3.149 -2.486 1.00 24.32 C ATOM 1499 C ILE A 91 -18.345 3.388 -1.912 1.00 71.22 C ATOM 1500 O ILE A 91 -18.565 4.342 -1.166 1.00 21.14 O ATOM 1501 CB ILE A 91 -16.897 3.708 -3.920 1.00 12.14 C ATOM 1502 CG1 ILE A 91 -15.567 3.343 -4.582 1.00 10.22 C ATOM 1503 CG2 ILE A 91 -17.093 5.217 -3.907 1.00 62.24 C ATOM 1504 CD1 ILE A 91 -14.358 3.849 -3.827 1.00 24.31 C ATOM 0 H ILE A 91 -16.517 1.299 -3.371 1.00 45.24 H new ATOM 0 HA ILE A 91 -16.216 3.669 -1.874 1.00 24.32 H new ATOM 0 HB ILE A 91 -17.704 3.261 -4.501 1.00 12.14 H new ATOM 0 HG12 ILE A 91 -15.501 2.259 -4.673 1.00 10.22 H new ATOM 0 HG13 ILE A 91 -15.550 3.749 -5.593 1.00 10.22 H new ATOM 0 HG21 ILE A 91 -17.051 5.598 -4.927 1.00 62.24 H new ATOM 0 HG22 ILE A 91 -18.063 5.454 -3.471 1.00 62.24 H new ATOM 0 HG23 ILE A 91 -16.305 5.681 -3.314 1.00 62.24 H new ATOM 0 HD11 ILE A 91 -13.450 3.554 -4.354 1.00 24.31 H new ATOM 0 HD12 ILE A 91 -14.400 4.936 -3.759 1.00 24.31 H new ATOM 0 HD13 ILE A 91 -14.351 3.422 -2.824 1.00 24.31 H new ATOM 1516 N TYR A 92 -19.282 2.515 -2.265 1.00 21.54 N ATOM 1517 CA TYR A 92 -20.654 2.631 -1.785 1.00 71.45 C ATOM 1518 C TYR A 92 -20.723 2.424 -0.275 1.00 72.05 C ATOM 1519 O TYR A 92 -21.440 3.136 0.428 1.00 31.22 O ATOM 1520 CB TYR A 92 -21.551 1.613 -2.492 1.00 71.13 C ATOM 1521 CG TYR A 92 -22.144 2.124 -3.786 1.00 21.10 C ATOM 1522 CD1 TYR A 92 -21.376 2.856 -4.683 1.00 62.45 C ATOM 1523 CD2 TYR A 92 -23.472 1.876 -4.111 1.00 22.15 C ATOM 1524 CE1 TYR A 92 -21.913 3.325 -5.866 1.00 52.14 C ATOM 1525 CE2 TYR A 92 -24.017 2.340 -5.292 1.00 11.12 C ATOM 1526 CZ TYR A 92 -23.234 3.064 -6.166 1.00 50.43 C ATOM 1527 OH TYR A 92 -23.774 3.530 -7.343 1.00 60.23 O ATOM 0 H TYR A 92 -19.117 1.720 -2.882 1.00 21.54 H new ATOM 0 HA TYR A 92 -21.007 3.637 -2.012 1.00 71.45 H new ATOM 0 HB2 TYR A 92 -20.972 0.713 -2.698 1.00 71.13 H new ATOM 0 HB3 TYR A 92 -22.360 1.325 -1.820 1.00 71.13 H new ATOM 0 HD1 TYR A 92 -20.341 3.062 -4.451 1.00 62.45 H new ATOM 0 HD2 TYR A 92 -24.089 1.311 -3.428 1.00 22.15 H new ATOM 0 HE1 TYR A 92 -21.302 3.893 -6.552 1.00 52.14 H new ATOM 0 HE2 TYR A 92 -25.051 2.137 -5.530 1.00 11.12 H new ATOM 0 HH TYR A 92 -24.714 3.259 -7.402 1.00 60.23 H new ATOM 1537 N PHE A 93 -19.972 1.444 0.216 1.00 2.30 N ATOM 1538 CA PHE A 93 -19.947 1.142 1.642 1.00 3.14 C ATOM 1539 C PHE A 93 -19.352 2.303 2.434 1.00 43.01 C ATOM 1540 O PHE A 93 -19.931 2.756 3.421 1.00 5.15 O ATOM 1541 CB PHE A 93 -19.141 -0.133 1.901 1.00 3.52 C ATOM 1542 CG PHE A 93 -19.624 -0.917 3.088 1.00 40.25 C ATOM 1543 CD1 PHE A 93 -20.788 -1.665 3.013 1.00 64.24 C ATOM 1544 CD2 PHE A 93 -18.915 -0.905 4.278 1.00 63.22 C ATOM 1545 CE1 PHE A 93 -21.235 -2.388 4.102 1.00 21.44 C ATOM 1546 CE2 PHE A 93 -19.357 -1.627 5.371 1.00 42.44 C ATOM 1547 CZ PHE A 93 -20.519 -2.368 5.283 1.00 21.12 C ATOM 0 H PHE A 93 -19.373 0.846 -0.353 1.00 2.30 H new ATOM 0 HA PHE A 93 -20.974 0.988 1.973 1.00 3.14 H new ATOM 0 HB2 PHE A 93 -19.184 -0.767 1.015 1.00 3.52 H new ATOM 0 HB3 PHE A 93 -18.095 0.133 2.052 1.00 3.52 H new ATOM 0 HD1 PHE A 93 -21.352 -1.683 2.092 1.00 64.24 H new ATOM 0 HD2 PHE A 93 -18.007 -0.325 4.353 1.00 63.22 H new ATOM 0 HE1 PHE A 93 -22.143 -2.968 4.030 1.00 21.44 H new ATOM 0 HE2 PHE A 93 -18.794 -1.612 6.293 1.00 42.44 H new ATOM 0 HZ PHE A 93 -20.867 -2.931 6.136 1.00 21.12 H new ATOM 1557 N ARG A 94 -18.192 2.779 1.993 1.00 2.00 N ATOM 1558 CA ARG A 94 -17.517 3.886 2.660 1.00 22.54 C ATOM 1559 C ARG A 94 -18.356 5.158 2.588 1.00 34.41 C ATOM 1560 O ARG A 94 -18.317 5.991 3.494 1.00 40.24 O ATOM 1561 CB ARG A 94 -16.145 4.130 2.028 1.00 14.13 C ATOM 1562 CG ARG A 94 -15.014 3.387 2.720 1.00 35.03 C ATOM 1563 CD ARG A 94 -15.288 1.892 2.785 1.00 5.41 C ATOM 1564 NE ARG A 94 -14.081 1.105 2.548 1.00 23.24 N ATOM 1565 CZ ARG A 94 -14.092 -0.200 2.302 1.00 64.51 C ATOM 1566 NH1 ARG A 94 -15.240 -0.861 2.260 1.00 54.14 N ATOM 1567 NH2 ARG A 94 -12.952 -0.848 2.097 1.00 45.34 N ATOM 0 H ARG A 94 -17.700 2.415 1.177 1.00 2.00 H new ATOM 0 HA ARG A 94 -17.384 3.619 3.708 1.00 22.54 H new ATOM 0 HB2 ARG A 94 -16.178 3.830 0.981 1.00 14.13 H new ATOM 0 HB3 ARG A 94 -15.931 5.199 2.046 1.00 14.13 H new ATOM 0 HG2 ARG A 94 -14.080 3.564 2.186 1.00 35.03 H new ATOM 0 HG3 ARG A 94 -14.883 3.778 3.729 1.00 35.03 H new ATOM 0 HD2 ARG A 94 -15.699 1.641 3.763 1.00 5.41 H new ATOM 0 HD3 ARG A 94 -16.044 1.629 2.045 1.00 5.41 H new ATOM 0 HE ARG A 94 -13.181 1.584 2.573 1.00 23.24 H new ATOM 0 HH11 ARG A 94 -16.119 -0.367 2.417 1.00 54.14 H new ATOM 0 HH12 ARG A 94 -15.245 -1.863 2.071 1.00 54.14 H new ATOM 0 HH21 ARG A 94 -12.066 -0.344 2.128 1.00 45.34 H new ATOM 0 HH22 ARG A 94 -12.962 -1.850 1.908 1.00 45.34 H new ATOM 1581 N ILE A 95 -19.114 5.300 1.506 1.00 61.43 N ATOM 1582 CA ILE A 95 -19.963 6.469 1.316 1.00 3.30 C ATOM 1583 C ILE A 95 -21.259 6.342 2.108 1.00 34.23 C ATOM 1584 O ILE A 95 -21.883 7.342 2.465 1.00 3.52 O ATOM 1585 CB ILE A 95 -20.302 6.684 -0.171 1.00 22.41 C ATOM 1586 CG1 ILE A 95 -19.069 7.175 -0.932 1.00 23.00 C ATOM 1587 CG2 ILE A 95 -21.449 7.672 -0.315 1.00 40.34 C ATOM 1588 CD1 ILE A 95 -19.222 7.112 -2.436 1.00 23.44 C ATOM 0 H ILE A 95 -19.157 4.620 0.747 1.00 61.43 H new ATOM 0 HA ILE A 95 -19.401 7.329 1.680 1.00 3.30 H new ATOM 0 HB ILE A 95 -20.614 5.731 -0.599 1.00 22.41 H new ATOM 0 HG12 ILE A 95 -18.857 8.203 -0.639 1.00 23.00 H new ATOM 0 HG13 ILE A 95 -18.208 6.576 -0.637 1.00 23.00 H new ATOM 0 HG21 ILE A 95 -21.677 7.814 -1.371 1.00 40.34 H new ATOM 0 HG22 ILE A 95 -22.330 7.284 0.197 1.00 40.34 H new ATOM 0 HG23 ILE A 95 -21.164 8.627 0.126 1.00 40.34 H new ATOM 0 HD11 ILE A 95 -18.310 7.475 -2.910 1.00 23.44 H new ATOM 0 HD12 ILE A 95 -19.403 6.081 -2.740 1.00 23.44 H new ATOM 0 HD13 ILE A 95 -20.063 7.734 -2.743 1.00 23.44 H new ATOM 1600 N LEU A 96 -21.660 5.105 2.382 1.00 3.10 N ATOM 1601 CA LEU A 96 -22.882 4.846 3.135 1.00 71.43 C ATOM 1602 C LEU A 96 -22.613 4.873 4.636 1.00 74.31 C ATOM 1603 O LEU A 96 -23.538 4.996 5.441 1.00 64.01 O ATOM 1604 CB LEU A 96 -23.473 3.492 2.735 1.00 1.42 C ATOM 1605 CG LEU A 96 -24.620 3.533 1.725 1.00 61.32 C ATOM 1606 CD1 LEU A 96 -25.799 4.313 2.286 1.00 24.33 C ATOM 1607 CD2 LEU A 96 -24.152 4.142 0.411 1.00 32.30 C ATOM 0 H LEU A 96 -21.157 4.266 2.094 1.00 3.10 H new ATOM 0 HA LEU A 96 -23.599 5.633 2.899 1.00 71.43 H new ATOM 0 HB2 LEU A 96 -22.674 2.877 2.322 1.00 1.42 H new ATOM 0 HB3 LEU A 96 -23.827 2.992 3.637 1.00 1.42 H new ATOM 0 HG LEU A 96 -24.946 2.511 1.533 1.00 61.32 H new ATOM 0 HD11 LEU A 96 -26.605 4.331 1.553 1.00 24.33 H new ATOM 0 HD12 LEU A 96 -26.150 3.834 3.200 1.00 24.33 H new ATOM 0 HD13 LEU A 96 -25.487 5.334 2.508 1.00 24.33 H new ATOM 0 HD21 LEU A 96 -24.981 4.163 -0.296 1.00 32.30 H new ATOM 0 HD22 LEU A 96 -23.799 5.158 0.586 1.00 32.30 H new ATOM 0 HD23 LEU A 96 -23.340 3.541 0.000 1.00 32.30 H new ATOM 1619 N LEU A 97 -21.343 4.759 5.006 1.00 23.22 N ATOM 1620 CA LEU A 97 -20.951 4.773 6.411 1.00 31.55 C ATOM 1621 C LEU A 97 -21.706 5.855 7.177 1.00 73.44 C ATOM 1622 O LEU A 97 -22.150 6.854 6.611 1.00 2.43 O ATOM 1623 CB LEU A 97 -19.444 4.999 6.539 1.00 2.30 C ATOM 1624 CG LEU A 97 -18.646 3.864 7.181 1.00 31.31 C ATOM 1625 CD1 LEU A 97 -17.925 3.050 6.118 1.00 51.14 C ATOM 1626 CD2 LEU A 97 -17.655 4.415 8.196 1.00 15.20 C ATOM 0 H LEU A 97 -20.566 4.656 4.353 1.00 23.22 H new ATOM 0 HA LEU A 97 -21.205 3.805 6.842 1.00 31.55 H new ATOM 0 HB2 LEU A 97 -19.039 5.183 5.544 1.00 2.30 H new ATOM 0 HB3 LEU A 97 -19.281 5.905 7.122 1.00 2.30 H new ATOM 0 HG LEU A 97 -19.342 3.207 7.703 1.00 31.31 H new ATOM 0 HD11 LEU A 97 -17.362 2.247 6.594 1.00 51.14 H new ATOM 0 HD12 LEU A 97 -18.654 2.623 5.429 1.00 51.14 H new ATOM 0 HD13 LEU A 97 -17.241 3.695 5.567 1.00 51.14 H new ATOM 0 HD21 LEU A 97 -17.096 3.592 8.642 1.00 15.20 H new ATOM 0 HD22 LEU A 97 -16.964 5.095 7.698 1.00 15.20 H new ATOM 0 HD23 LEU A 97 -18.194 4.953 8.976 1.00 15.20 H new ATOM 1638 N PRO A 98 -21.855 5.654 8.494 1.00 30.54 N ATOM 1639 CA PRO A 98 -22.554 6.603 9.366 1.00 22.41 C ATOM 1640 C PRO A 98 -21.775 7.900 9.553 1.00 42.13 C ATOM 1641 O PRO A 98 -22.355 8.985 9.582 1.00 14.40 O ATOM 1642 CB PRO A 98 -22.664 5.849 10.694 1.00 12.51 C ATOM 1643 CG PRO A 98 -21.534 4.879 10.674 1.00 2.25 C ATOM 1644 CD PRO A 98 -21.352 4.484 9.235 1.00 50.40 C ATOM 0 HA PRO A 98 -23.515 6.906 8.951 1.00 22.41 H new ATOM 0 HB2 PRO A 98 -22.587 6.529 11.543 1.00 12.51 H new ATOM 0 HB3 PRO A 98 -23.623 5.338 10.781 1.00 12.51 H new ATOM 0 HG2 PRO A 98 -20.625 5.330 11.073 1.00 2.25 H new ATOM 0 HG3 PRO A 98 -21.756 4.009 11.292 1.00 2.25 H new ATOM 0 HD2 PRO A 98 -20.307 4.281 9.003 1.00 50.40 H new ATOM 0 HD3 PRO A 98 -21.914 3.582 8.992 1.00 50.40 H new ATOM 1652 N TYR A 99 -20.458 7.781 9.678 1.00 43.00 N ATOM 1653 CA TYR A 99 -19.599 8.945 9.864 1.00 73.13 C ATOM 1654 C TYR A 99 -19.497 9.757 8.577 1.00 40.45 C ATOM 1655 O TYR A 99 -19.529 10.987 8.602 1.00 13.13 O ATOM 1656 CB TYR A 99 -18.205 8.509 10.317 1.00 0.22 C ATOM 1657 CG TYR A 99 -18.193 7.824 11.665 1.00 72.32 C ATOM 1658 CD1 TYR A 99 -18.221 8.561 12.842 1.00 43.21 C ATOM 1659 CD2 TYR A 99 -18.155 6.438 11.761 1.00 75.02 C ATOM 1660 CE1 TYR A 99 -18.209 7.939 14.075 1.00 33.02 C ATOM 1661 CE2 TYR A 99 -18.145 5.807 12.990 1.00 53.11 C ATOM 1662 CZ TYR A 99 -18.172 6.562 14.144 1.00 63.10 C ATOM 1663 OH TYR A 99 -18.162 5.938 15.371 1.00 43.34 O ATOM 0 H TYR A 99 -19.962 6.890 9.654 1.00 43.00 H new ATOM 0 HA TYR A 99 -20.044 9.574 10.635 1.00 73.13 H new ATOM 0 HB2 TYR A 99 -17.785 7.834 9.572 1.00 0.22 H new ATOM 0 HB3 TYR A 99 -17.555 9.383 10.357 1.00 0.22 H new ATOM 0 HD1 TYR A 99 -18.253 9.639 12.792 1.00 43.21 H new ATOM 0 HD2 TYR A 99 -18.133 5.844 10.859 1.00 75.02 H new ATOM 0 HE1 TYR A 99 -18.228 8.528 14.980 1.00 33.02 H new ATOM 0 HE2 TYR A 99 -18.116 4.729 13.047 1.00 53.11 H new ATOM 0 HH TYR A 99 -18.136 4.967 15.244 1.00 43.34 H new ATOM 1673 N GLU A 100 -19.374 9.059 7.452 1.00 50.21 N ATOM 1674 CA GLU A 100 -19.267 9.715 6.154 1.00 2.31 C ATOM 1675 C GLU A 100 -20.555 10.458 5.812 1.00 72.23 C ATOM 1676 O GLU A 100 -20.527 11.626 5.425 1.00 43.23 O ATOM 1677 CB GLU A 100 -18.951 8.689 5.064 1.00 53.34 C ATOM 1678 CG GLU A 100 -17.477 8.333 4.972 1.00 71.25 C ATOM 1679 CD GLU A 100 -17.075 7.254 5.959 1.00 41.51 C ATOM 1680 OE1 GLU A 100 -17.125 7.519 7.178 1.00 3.34 O ATOM 1681 OE2 GLU A 100 -16.710 6.147 5.513 1.00 74.23 O ATOM 0 H GLU A 100 -19.346 8.040 7.413 1.00 50.21 H new ATOM 0 HA GLU A 100 -18.454 10.439 6.207 1.00 2.31 H new ATOM 0 HB2 GLU A 100 -19.524 7.781 5.254 1.00 53.34 H new ATOM 0 HB3 GLU A 100 -19.282 9.080 4.102 1.00 53.34 H new ATOM 0 HG2 GLU A 100 -17.251 7.997 3.960 1.00 71.25 H new ATOM 0 HG3 GLU A 100 -16.879 9.226 5.153 1.00 71.25 H new ATOM 1688 N ARG A 101 -21.684 9.771 5.957 1.00 65.34 N ATOM 1689 CA ARG A 101 -22.982 10.363 5.661 1.00 13.53 C ATOM 1690 C ARG A 101 -23.318 11.465 6.663 1.00 64.22 C ATOM 1691 O ARG A 101 -23.967 12.453 6.320 1.00 13.31 O ATOM 1692 CB ARG A 101 -24.073 9.291 5.682 1.00 21.15 C ATOM 1693 CG ARG A 101 -24.323 8.704 7.062 1.00 71.31 C ATOM 1694 CD ARG A 101 -25.387 9.486 7.816 1.00 73.13 C ATOM 1695 NE ARG A 101 -26.595 8.695 8.035 1.00 54.22 N ATOM 1696 CZ ARG A 101 -27.688 9.170 8.622 1.00 0.04 C ATOM 1697 NH1 ARG A 101 -27.724 10.426 9.047 1.00 20.51 N ATOM 1698 NH2 ARG A 101 -28.748 8.389 8.786 1.00 62.52 N ATOM 0 H ARG A 101 -21.725 8.804 6.278 1.00 65.34 H new ATOM 0 HA ARG A 101 -22.934 10.803 4.665 1.00 13.53 H new ATOM 0 HB2 ARG A 101 -25.001 9.722 5.306 1.00 21.15 H new ATOM 0 HB3 ARG A 101 -23.795 8.488 5.000 1.00 21.15 H new ATOM 0 HG2 ARG A 101 -24.635 7.664 6.965 1.00 71.31 H new ATOM 0 HG3 ARG A 101 -23.395 8.707 7.633 1.00 71.31 H new ATOM 0 HD2 ARG A 101 -24.986 9.810 8.777 1.00 73.13 H new ATOM 0 HD3 ARG A 101 -25.640 10.387 7.256 1.00 73.13 H new ATOM 0 HE ARG A 101 -26.600 7.725 7.720 1.00 54.22 H new ATOM 0 HH11 ARG A 101 -26.911 11.030 8.923 1.00 20.51 H new ATOM 0 HH12 ARG A 101 -28.565 10.788 9.497 1.00 20.51 H new ATOM 0 HH21 ARG A 101 -28.724 7.422 8.461 1.00 62.52 H new ATOM 0 HH22 ARG A 101 -29.586 8.755 9.237 1.00 62.52 H new ATOM 1712 N HIS A 102 -22.871 11.287 7.902 1.00 63.00 N ATOM 1713 CA HIS A 102 -23.123 12.266 8.954 1.00 72.34 C ATOM 1714 C HIS A 102 -22.402 13.577 8.660 1.00 44.43 C ATOM 1715 O HIS A 102 -22.985 14.656 8.769 1.00 62.51 O ATOM 1716 CB HIS A 102 -22.676 11.717 10.309 1.00 62.54 C ATOM 1717 CG HIS A 102 -22.765 12.717 11.419 1.00 1.24 C ATOM 1718 ND1 HIS A 102 -23.959 13.101 11.993 1.00 42.24 N ATOM 1719 CD2 HIS A 102 -21.799 13.413 12.064 1.00 60.21 C ATOM 1720 CE1 HIS A 102 -23.724 13.991 12.940 1.00 23.13 C ATOM 1721 NE2 HIS A 102 -22.421 14.197 13.004 1.00 4.22 N ATOM 0 H HIS A 102 -22.333 10.474 8.202 1.00 63.00 H new ATOM 0 HA HIS A 102 -24.195 12.461 8.985 1.00 72.34 H new ATOM 0 HB2 HIS A 102 -23.289 10.851 10.561 1.00 62.54 H new ATOM 0 HB3 HIS A 102 -21.647 11.367 10.228 1.00 62.54 H new ATOM 0 HD2 HIS A 102 -20.737 13.361 11.874 1.00 60.21 H new ATOM 0 HE1 HIS A 102 -24.470 14.469 13.557 1.00 23.13 H new ATOM 0 HE2 HIS A 102 -21.953 14.835 13.647 1.00 4.22 H new ATOM 1729 N MET A 103 -21.130 13.477 8.287 1.00 22.02 N ATOM 1730 CA MET A 103 -20.329 14.656 7.977 1.00 33.14 C ATOM 1731 C MET A 103 -20.960 15.459 6.844 1.00 32.03 C ATOM 1732 O MET A 103 -21.050 16.685 6.915 1.00 2.05 O ATOM 1733 CB MET A 103 -18.905 14.246 7.596 1.00 14.13 C ATOM 1734 CG MET A 103 -17.834 14.912 8.444 1.00 21.25 C ATOM 1735 SD MET A 103 -17.980 14.504 10.195 1.00 75.23 S ATOM 1736 CE MET A 103 -17.314 15.987 10.945 1.00 1.31 C ATOM 0 H MET A 103 -20.632 12.592 8.192 1.00 22.02 H new ATOM 0 HA MET A 103 -20.292 15.284 8.867 1.00 33.14 H new ATOM 0 HB2 MET A 103 -18.810 13.164 7.689 1.00 14.13 H new ATOM 0 HB3 MET A 103 -18.733 14.492 6.548 1.00 14.13 H new ATOM 0 HG2 MET A 103 -16.851 14.608 8.085 1.00 21.25 H new ATOM 0 HG3 MET A 103 -17.898 15.993 8.320 1.00 21.25 H new ATOM 0 HE1 MET A 103 -17.337 15.888 12.030 1.00 1.31 H new ATOM 0 HE2 MET A 103 -16.285 16.131 10.615 1.00 1.31 H new ATOM 0 HE3 MET A 103 -17.914 16.847 10.647 1.00 1.31 H new ATOM 1746 N ILE A 104 -21.395 14.761 5.801 1.00 32.40 N ATOM 1747 CA ILE A 104 -22.018 15.410 4.654 1.00 31.41 C ATOM 1748 C ILE A 104 -23.445 15.842 4.975 1.00 3.20 C ATOM 1749 O ILE A 104 -23.971 16.778 4.373 1.00 4.42 O ATOM 1750 CB ILE A 104 -22.039 14.482 3.425 1.00 32.31 C ATOM 1751 CG1 ILE A 104 -22.919 13.260 3.696 1.00 31.35 C ATOM 1752 CG2 ILE A 104 -20.626 14.053 3.061 1.00 63.03 C ATOM 1753 CD1 ILE A 104 -22.981 12.290 2.537 1.00 53.31 C ATOM 0 H ILE A 104 -21.328 13.746 5.726 1.00 32.40 H new ATOM 0 HA ILE A 104 -21.417 16.290 4.425 1.00 31.41 H new ATOM 0 HB ILE A 104 -22.460 15.030 2.582 1.00 32.31 H new ATOM 0 HG12 ILE A 104 -22.541 12.739 4.576 1.00 31.35 H new ATOM 0 HG13 ILE A 104 -23.929 13.595 3.933 1.00 31.35 H new ATOM 0 HG21 ILE A 104 -20.658 13.398 2.191 1.00 63.03 H new ATOM 0 HG22 ILE A 104 -20.026 14.934 2.831 1.00 63.03 H new ATOM 0 HG23 ILE A 104 -20.180 13.520 3.901 1.00 63.03 H new ATOM 0 HD11 ILE A 104 -23.622 11.449 2.800 1.00 53.31 H new ATOM 0 HD12 ILE A 104 -23.387 12.795 1.661 1.00 53.31 H new ATOM 0 HD13 ILE A 104 -21.978 11.926 2.313 1.00 53.31 H new ATOM 1765 N SER A 105 -24.065 15.155 5.929 1.00 52.13 N ATOM 1766 CA SER A 105 -25.432 15.467 6.329 1.00 33.21 C ATOM 1767 C SER A 105 -25.541 16.909 6.814 1.00 2.22 C ATOM 1768 O SER A 105 -26.550 17.577 6.587 1.00 25.44 O ATOM 1769 CB SER A 105 -25.894 14.510 7.430 1.00 13.42 C ATOM 1770 OG SER A 105 -26.798 13.545 6.921 1.00 15.31 O ATOM 0 H SER A 105 -23.643 14.379 6.439 1.00 52.13 H new ATOM 0 HA SER A 105 -26.076 15.346 5.458 1.00 33.21 H new ATOM 0 HB2 SER A 105 -25.030 14.009 7.867 1.00 13.42 H new ATOM 0 HB3 SER A 105 -26.373 15.075 8.230 1.00 13.42 H new ATOM 0 HG SER A 105 -26.296 12.813 6.507 1.00 15.31 H new ATOM 1776 N GLN A 106 -24.494 17.382 7.483 1.00 51.31 N ATOM 1777 CA GLN A 106 -24.472 18.745 8.001 1.00 3.10 C ATOM 1778 C GLN A 106 -24.671 19.758 6.878 1.00 30.31 C ATOM 1779 O GLN A 106 -25.398 20.738 7.036 1.00 22.12 O ATOM 1780 CB GLN A 106 -23.150 19.018 8.721 1.00 61.20 C ATOM 1781 CG GLN A 106 -23.151 20.306 9.528 1.00 33.23 C ATOM 1782 CD GLN A 106 -21.787 20.965 9.578 1.00 30.00 C ATOM 1783 OE1 GLN A 106 -20.880 20.490 10.262 1.00 1.10 O ATOM 1784 NE2 GLN A 106 -21.634 22.066 8.851 1.00 33.32 N ATOM 0 H GLN A 106 -23.651 16.842 7.679 1.00 51.31 H new ATOM 0 HA GLN A 106 -25.293 18.850 8.710 1.00 3.10 H new ATOM 0 HB2 GLN A 106 -22.929 18.183 9.386 1.00 61.20 H new ATOM 0 HB3 GLN A 106 -22.347 19.061 7.985 1.00 61.20 H new ATOM 0 HG2 GLN A 106 -23.870 21.001 9.095 1.00 33.23 H new ATOM 0 HG3 GLN A 106 -23.485 20.094 10.544 1.00 33.23 H new ATOM 0 HE21 GLN A 106 -22.413 22.425 8.299 1.00 33.32 H new ATOM 0 HE22 GLN A 106 -20.738 22.553 8.845 1.00 33.32 H new ATOM 1793 N GLU A 107 -24.020 19.513 5.745 1.00 54.21 N ATOM 1794 CA GLU A 107 -24.126 20.405 4.596 1.00 11.44 C ATOM 1795 C GLU A 107 -24.891 19.738 3.457 1.00 30.43 C ATOM 1796 O GLU A 107 -24.700 20.070 2.288 1.00 34.02 O ATOM 1797 CB GLU A 107 -22.734 20.821 4.116 1.00 53.42 C ATOM 1798 CG GLU A 107 -22.690 22.216 3.515 1.00 44.23 C ATOM 1799 CD GLU A 107 -21.305 22.598 3.028 1.00 21.25 C ATOM 1800 OE1 GLU A 107 -20.315 22.092 3.598 1.00 53.32 O ATOM 1801 OE2 GLU A 107 -21.212 23.402 2.078 1.00 45.33 O ATOM 0 H GLU A 107 -23.414 18.705 5.598 1.00 54.21 H new ATOM 0 HA GLU A 107 -24.676 21.293 4.907 1.00 11.44 H new ATOM 0 HB2 GLU A 107 -22.040 20.774 4.955 1.00 53.42 H new ATOM 0 HB3 GLU A 107 -22.385 20.103 3.373 1.00 53.42 H new ATOM 0 HG2 GLU A 107 -23.392 22.271 2.683 1.00 44.23 H new ATOM 0 HG3 GLU A 107 -23.021 22.939 4.260 1.00 44.23 H new ATOM 1808 N GLY A 108 -25.758 18.792 3.808 1.00 1.33 N ATOM 1809 CA GLY A 108 -26.538 18.092 2.805 1.00 31.21 C ATOM 1810 C GLY A 108 -27.833 17.535 3.362 1.00 30.15 C ATOM 1811 O GLY A 108 -28.279 16.461 2.958 1.00 75.02 O ATOM 0 H GLY A 108 -25.933 18.499 4.769 1.00 1.33 H new ATOM 0 HA2 GLY A 108 -26.762 18.772 1.984 1.00 31.21 H new ATOM 0 HA3 GLY A 108 -25.944 17.277 2.391 1.00 31.21 H new ATOM 1815 N ILE A 109 -28.437 18.265 4.294 1.00 24.13 N ATOM 1816 CA ILE A 109 -29.687 17.837 4.908 1.00 34.30 C ATOM 1817 C ILE A 109 -30.802 17.737 3.872 1.00 11.03 C ATOM 1818 O ILE A 109 -31.789 17.028 4.072 1.00 41.32 O ATOM 1819 CB ILE A 109 -30.125 18.802 6.026 1.00 73.43 C ATOM 1820 CG1 ILE A 109 -30.112 20.245 5.518 1.00 73.25 C ATOM 1821 CG2 ILE A 109 -29.219 18.653 7.239 1.00 51.33 C ATOM 1822 CD1 ILE A 109 -31.101 21.144 6.226 1.00 74.31 C ATOM 0 H ILE A 109 -28.080 19.156 4.640 1.00 24.13 H new ATOM 0 HA ILE A 109 -29.506 16.853 5.340 1.00 34.30 H new ATOM 0 HB ILE A 109 -31.143 18.551 6.324 1.00 73.43 H new ATOM 0 HG12 ILE A 109 -29.109 20.655 5.639 1.00 73.25 H new ATOM 0 HG13 ILE A 109 -30.331 20.248 4.450 1.00 73.25 H new ATOM 0 HG21 ILE A 109 -29.541 19.341 8.020 1.00 51.33 H new ATOM 0 HG22 ILE A 109 -29.274 17.630 7.611 1.00 51.33 H new ATOM 0 HG23 ILE A 109 -28.191 18.881 6.956 1.00 51.33 H new ATOM 0 HD11 ILE A 109 -31.036 22.151 5.814 1.00 74.31 H new ATOM 0 HD12 ILE A 109 -32.110 20.758 6.084 1.00 74.31 H new ATOM 0 HD13 ILE A 109 -30.870 21.172 7.291 1.00 74.31 H new ATOM 1834 N LYS A 110 -30.638 18.451 2.764 1.00 64.44 N ATOM 1835 CA LYS A 110 -31.628 18.441 1.693 1.00 4.32 C ATOM 1836 C LYS A 110 -31.864 17.023 1.183 1.00 11.31 C ATOM 1837 O LYS A 110 -32.927 16.718 0.645 1.00 74.34 O ATOM 1838 CB LYS A 110 -31.172 19.340 0.541 1.00 23.41 C ATOM 1839 CG LYS A 110 -31.659 20.773 0.658 1.00 10.44 C ATOM 1840 CD LYS A 110 -30.907 21.531 1.740 1.00 50.35 C ATOM 1841 CE LYS A 110 -29.481 21.843 1.312 1.00 0.23 C ATOM 1842 NZ LYS A 110 -28.766 22.669 2.325 1.00 35.41 N ATOM 0 H LYS A 110 -29.828 19.045 2.584 1.00 64.44 H new ATOM 0 HA LYS A 110 -32.566 18.824 2.095 1.00 4.32 H new ATOM 0 HB2 LYS A 110 -30.083 19.338 0.499 1.00 23.41 H new ATOM 0 HB3 LYS A 110 -31.528 18.920 -0.400 1.00 23.41 H new ATOM 0 HG2 LYS A 110 -31.532 21.281 -0.298 1.00 10.44 H new ATOM 0 HG3 LYS A 110 -32.726 20.779 0.883 1.00 10.44 H new ATOM 0 HD2 LYS A 110 -31.431 22.459 1.967 1.00 50.35 H new ATOM 0 HD3 LYS A 110 -30.892 20.941 2.656 1.00 50.35 H new ATOM 0 HE2 LYS A 110 -28.937 20.912 1.154 1.00 0.23 H new ATOM 0 HE3 LYS A 110 -29.495 22.370 0.358 1.00 0.23 H new ATOM 0 HZ1 LYS A 110 -27.798 22.860 1.996 1.00 35.41 H new ATOM 0 HZ2 LYS A 110 -29.270 23.569 2.458 1.00 35.41 H new ATOM 0 HZ3 LYS A 110 -28.730 22.156 3.229 1.00 35.41 H new ATOM 1856 N GLU A 111 -30.867 16.162 1.358 1.00 4.11 N ATOM 1857 CA GLU A 111 -30.968 14.776 0.915 1.00 11.45 C ATOM 1858 C GLU A 111 -31.985 14.010 1.756 1.00 20.23 C ATOM 1859 O GLU A 111 -32.568 13.025 1.302 1.00 61.30 O ATOM 1860 CB GLU A 111 -29.603 14.091 0.996 1.00 23.40 C ATOM 1861 CG GLU A 111 -29.172 13.756 2.414 1.00 14.13 C ATOM 1862 CD GLU A 111 -29.657 12.392 2.865 1.00 75.23 C ATOM 1863 OE1 GLU A 111 -29.603 11.445 2.053 1.00 34.50 O ATOM 1864 OE2 GLU A 111 -30.091 12.272 4.030 1.00 71.02 O ATOM 0 H GLU A 111 -29.980 16.399 1.803 1.00 4.11 H new ATOM 0 HA GLU A 111 -31.305 14.776 -0.122 1.00 11.45 H new ATOM 0 HB2 GLU A 111 -29.631 13.174 0.408 1.00 23.40 H new ATOM 0 HB3 GLU A 111 -28.854 14.739 0.541 1.00 23.40 H new ATOM 0 HG2 GLU A 111 -28.084 13.789 2.476 1.00 14.13 H new ATOM 0 HG3 GLU A 111 -29.554 14.517 3.095 1.00 14.13 H new ATOM 1871 N THR A 112 -32.193 14.469 2.987 1.00 61.43 N ATOM 1872 CA THR A 112 -33.137 13.827 3.892 1.00 20.55 C ATOM 1873 C THR A 112 -34.570 13.990 3.399 1.00 31.03 C ATOM 1874 O THR A 112 -35.322 13.019 3.318 1.00 42.14 O ATOM 1875 CB THR A 112 -33.028 14.401 5.317 1.00 2.15 C ATOM 1876 OG1 THR A 112 -31.660 14.407 5.740 1.00 44.32 O ATOM 1877 CG2 THR A 112 -33.862 13.587 6.295 1.00 62.52 C ATOM 0 H THR A 112 -31.720 15.283 3.379 1.00 61.43 H new ATOM 0 HA THR A 112 -32.882 12.767 3.914 1.00 20.55 H new ATOM 0 HB THR A 112 -33.408 15.422 5.302 1.00 2.15 H new ATOM 0 HG1 THR A 112 -31.157 13.737 5.232 1.00 44.32 H new ATOM 0 HG21 THR A 112 -33.769 14.012 7.294 1.00 62.52 H new ATOM 0 HG22 THR A 112 -34.908 13.609 5.988 1.00 62.52 H new ATOM 0 HG23 THR A 112 -33.508 12.556 6.305 1.00 62.52 H new ATOM 1885 N GLN A 113 -34.941 15.223 3.071 1.00 11.44 N ATOM 1886 CA GLN A 113 -36.285 15.513 2.586 1.00 73.41 C ATOM 1887 C GLN A 113 -36.553 14.797 1.266 1.00 40.21 C ATOM 1888 O GLN A 113 -37.704 14.563 0.898 1.00 43.32 O ATOM 1889 CB GLN A 113 -36.473 17.020 2.410 1.00 53.43 C ATOM 1890 CG GLN A 113 -37.930 17.448 2.341 1.00 35.04 C ATOM 1891 CD GLN A 113 -38.158 18.836 2.906 1.00 14.22 C ATOM 1892 OE1 GLN A 113 -37.460 19.786 2.550 1.00 14.12 O ATOM 1893 NE2 GLN A 113 -39.140 18.961 3.792 1.00 3.41 N ATOM 0 H GLN A 113 -34.330 16.037 3.132 1.00 11.44 H new ATOM 0 HA GLN A 113 -36.998 15.150 3.327 1.00 73.41 H new ATOM 0 HB2 GLN A 113 -35.990 17.537 3.239 1.00 53.43 H new ATOM 0 HB3 GLN A 113 -35.966 17.337 1.498 1.00 53.43 H new ATOM 0 HG2 GLN A 113 -38.263 17.423 1.304 1.00 35.04 H new ATOM 0 HG3 GLN A 113 -38.542 16.732 2.890 1.00 35.04 H new ATOM 0 HE21 GLN A 113 -39.693 18.147 4.058 1.00 3.41 H new ATOM 0 HE22 GLN A 113 -39.340 19.871 4.206 1.00 3.41 H new ATOM 1902 N ALA A 114 -35.483 14.452 0.558 1.00 44.43 N ATOM 1903 CA ALA A 114 -35.602 13.762 -0.721 1.00 11.24 C ATOM 1904 C ALA A 114 -36.228 12.383 -0.543 1.00 64.23 C ATOM 1905 O ALA A 114 -36.856 11.852 -1.459 1.00 70.03 O ATOM 1906 CB ALA A 114 -34.239 13.644 -1.386 1.00 51.22 C ATOM 0 H ALA A 114 -34.523 14.639 0.848 1.00 44.43 H new ATOM 0 HA ALA A 114 -36.257 14.350 -1.364 1.00 11.24 H new ATOM 0 HB1 ALA A 114 -34.343 13.127 -2.340 1.00 51.22 H new ATOM 0 HB2 ALA A 114 -33.830 14.640 -1.556 1.00 51.22 H new ATOM 0 HB3 ALA A 114 -33.566 13.081 -0.739 1.00 51.22 H new ATOM 1912 N LYS A 115 -36.051 11.806 0.641 1.00 40.14 N ATOM 1913 CA LYS A 115 -36.598 10.488 0.939 1.00 12.04 C ATOM 1914 C LYS A 115 -36.139 9.462 -0.091 1.00 64.33 C ATOM 1915 O LYS A 115 -36.782 9.275 -1.124 1.00 61.41 O ATOM 1916 CB LYS A 115 -38.127 10.544 0.973 1.00 72.52 C ATOM 1917 CG LYS A 115 -38.779 9.201 1.256 1.00 65.11 C ATOM 1918 CD LYS A 115 -39.867 9.320 2.309 1.00 13.41 C ATOM 1919 CE LYS A 115 -41.130 9.945 1.737 1.00 54.34 C ATOM 1920 NZ LYS A 115 -42.150 10.201 2.791 1.00 1.14 N ATOM 0 H LYS A 115 -35.533 12.231 1.410 1.00 40.14 H new ATOM 0 HA LYS A 115 -36.230 10.182 1.918 1.00 12.04 H new ATOM 0 HB2 LYS A 115 -38.439 11.258 1.735 1.00 72.52 H new ATOM 0 HB3 LYS A 115 -38.490 10.920 0.016 1.00 72.52 H new ATOM 0 HG2 LYS A 115 -39.204 8.801 0.336 1.00 65.11 H new ATOM 0 HG3 LYS A 115 -38.022 8.492 1.592 1.00 65.11 H new ATOM 0 HD2 LYS A 115 -40.097 8.333 2.709 1.00 13.41 H new ATOM 0 HD3 LYS A 115 -39.505 9.924 3.141 1.00 13.41 H new ATOM 0 HE2 LYS A 115 -40.878 10.882 1.240 1.00 54.34 H new ATOM 0 HE3 LYS A 115 -41.550 9.285 0.978 1.00 54.34 H new ATOM 0 HZ1 LYS A 115 -42.995 10.627 2.360 1.00 1.14 H new ATOM 0 HZ2 LYS A 115 -42.410 9.304 3.248 1.00 1.14 H new ATOM 0 HZ3 LYS A 115 -41.759 10.851 3.502 1.00 1.14 H new ATOM 1934 N ARG A 116 -35.023 8.799 0.197 1.00 35.20 N ATOM 1935 CA ARG A 116 -34.479 7.791 -0.705 1.00 3.30 C ATOM 1936 C ARG A 116 -34.077 8.415 -2.038 1.00 40.42 C ATOM 1937 O ARG A 116 -32.984 8.167 -2.547 1.00 23.43 O ATOM 1938 CB ARG A 116 -35.502 6.678 -0.938 1.00 50.35 C ATOM 1939 CG ARG A 116 -34.885 5.292 -1.029 1.00 44.41 C ATOM 1940 CD ARG A 116 -35.951 4.209 -1.077 1.00 10.52 C ATOM 1941 NE ARG A 116 -35.490 2.960 -0.477 1.00 1.42 N ATOM 1942 CZ ARG A 116 -35.271 2.807 0.824 1.00 30.04 C ATOM 1943 NH1 ARG A 116 -35.471 3.819 1.657 1.00 23.15 N ATOM 1944 NH2 ARG A 116 -34.852 1.639 1.295 1.00 41.12 N ATOM 0 H ARG A 116 -34.478 8.942 1.048 1.00 35.20 H new ATOM 0 HA ARG A 116 -33.590 7.365 -0.240 1.00 3.30 H new ATOM 0 HB2 ARG A 116 -36.230 6.690 -0.127 1.00 50.35 H new ATOM 0 HB3 ARG A 116 -36.048 6.885 -1.859 1.00 50.35 H new ATOM 0 HG2 ARG A 116 -34.260 5.229 -1.920 1.00 44.41 H new ATOM 0 HG3 ARG A 116 -34.234 5.125 -0.171 1.00 44.41 H new ATOM 0 HD2 ARG A 116 -36.843 4.555 -0.554 1.00 10.52 H new ATOM 0 HD3 ARG A 116 -36.238 4.029 -2.113 1.00 10.52 H new ATOM 0 HE ARG A 116 -35.327 2.162 -1.091 1.00 1.42 H new ATOM 0 HH11 ARG A 116 -35.794 4.718 1.299 1.00 23.15 H new ATOM 0 HH12 ARG A 116 -35.302 3.699 2.656 1.00 23.15 H new ATOM 0 HH21 ARG A 116 -34.698 0.858 0.658 1.00 41.12 H new ATOM 0 HH22 ARG A 116 -34.684 1.523 2.294 1.00 41.12 H new TER 1958 ARG A 116