USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=26 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 105 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 112 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 81 GLN : amide:sc= -0.0211 K(o=-0.1,f=-1.4) USER MOD Set 2.3: A 87 GLN : amide:sc= -0.0789 X(o=-0.1,f=-0.025) USER MOD Set 3.1: A 74 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 78 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Set 4.1: A 70 THR OG1 : rot 147:sc= 0.611 USER MOD Set 4.2: A 72 GLN :FLIP amide:sc= -0.122 F(o=-0.45,f=0.49) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 1 GLN N :NH3+ -147:sc= -0.182 (180deg=-1.08) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0152 USER MOD Single : A 4 ASN : amide:sc= -0.409 X(o=-0.41,f=-0.82) USER MOD Single : A 8 GLN : amide:sc= -0.0507 K(o=-0.051,f=-0.67) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -58:sc= 1.18 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 17 ASN : amide:sc= -0.0793 X(o=-0.079,f=-0.32) USER MOD Single : A 18 LYS NZ :NH3+ 173:sc= -0.721 (180deg=-0.906) 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 153:sc= -3.27 (180deg=-4.83!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 31 CYS SG : rot 110:sc= -0.654 USER MOD Single : A 32 LYS NZ :NH3+ 164:sc= -0.0493 (180deg=-0.208) USER MOD Single : A 33 LYS NZ :NH3+ -160:sc= -0.0404 (180deg=-0.355) USER MOD Single : A 35 ASN : amide:sc=-0.00358 K(o=-0.0036,f=-0.88) USER MOD Single : A 39 GLN : amide:sc= -0.4 X(o=-0.4,f=-0.88) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.583 K(o=-0.58,f=-2.3) USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0771) USER MOD Single : A 50 ASN : amide:sc= -1.87 K(o=-1.9,f=-7.1!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 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= -1.7 K(o=-1.7,f=-2.9!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= -2.14! 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 90 SER OG : rot 180:sc= -0.196 USER MOD Single : A 92 TYR OH : 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 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 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 5.956 1.183 -6.433 1.00 11.25 N ATOM 2 CA GLN A 1 5.559 1.775 -5.161 1.00 13.14 C ATOM 3 C GLN A 1 5.291 3.269 -5.315 1.00 61.42 C ATOM 4 O GLN A 1 6.198 4.044 -5.617 1.00 24.13 O ATOM 5 CB GLN A 1 6.643 1.546 -4.106 1.00 62.35 C ATOM 6 CG GLN A 1 7.019 0.084 -3.929 1.00 24.42 C ATOM 7 CD GLN A 1 6.620 -0.461 -2.572 1.00 0.04 C ATOM 8 OE1 GLN A 1 6.966 0.107 -1.535 1.00 41.35 O ATOM 9 NE2 GLN A 1 5.887 -1.568 -2.570 1.00 61.31 N ATOM 0 H1 GLN A 1 5.608 0.204 -6.484 1.00 11.25 H new ATOM 0 H2 GLN A 1 5.551 1.736 -7.215 1.00 11.25 H new ATOM 0 H3 GLN A 1 6.993 1.186 -6.508 1.00 11.25 H new ATOM 0 HA GLN A 1 4.638 1.291 -4.836 1.00 13.14 H new ATOM 0 HB2 GLN A 1 7.533 2.111 -4.383 1.00 62.35 H new ATOM 0 HB3 GLN A 1 6.298 1.942 -3.151 1.00 62.35 H new ATOM 0 HG2 GLN A 1 6.540 -0.507 -4.709 1.00 24.42 H new ATOM 0 HG3 GLN A 1 8.095 -0.029 -4.059 1.00 24.42 H new ATOM 0 HE21 GLN A 1 5.622 -2.006 -3.452 1.00 61.31 H new ATOM 0 HE22 GLN A 1 5.588 -1.980 -1.686 1.00 61.31 H new ATOM 18 N SER A 2 4.040 3.665 -5.107 1.00 14.20 N ATOM 19 CA SER A 2 3.651 5.066 -5.227 1.00 65.44 C ATOM 20 C SER A 2 2.518 5.400 -4.263 1.00 10.14 C ATOM 21 O SER A 2 2.220 4.633 -3.346 1.00 60.32 O ATOM 22 CB SER A 2 3.223 5.376 -6.663 1.00 10.42 C ATOM 23 OG SER A 2 1.880 4.985 -6.890 1.00 41.12 O ATOM 0 H SER A 2 3.278 3.036 -4.854 1.00 14.20 H new ATOM 0 HA SER A 2 4.514 5.681 -4.971 1.00 65.44 H new ATOM 0 HB2 SER A 2 3.332 6.443 -6.856 1.00 10.42 H new ATOM 0 HB3 SER A 2 3.879 4.857 -7.362 1.00 10.42 H new ATOM 0 HG SER A 2 1.630 5.195 -7.814 1.00 41.12 H new ATOM 29 N LEU A 3 1.889 6.551 -4.475 1.00 21.20 N ATOM 30 CA LEU A 3 0.787 6.989 -3.625 1.00 25.11 C ATOM 31 C LEU A 3 -0.455 7.292 -4.457 1.00 3.14 C ATOM 32 O LEU A 3 -1.461 6.590 -4.366 1.00 64.33 O ATOM 33 CB LEU A 3 1.195 8.228 -2.826 1.00 43.11 C ATOM 34 CG LEU A 3 2.409 8.067 -1.910 1.00 33.52 C ATOM 35 CD1 LEU A 3 3.113 9.401 -1.716 1.00 74.40 C ATOM 36 CD2 LEU A 3 1.990 7.483 -0.568 1.00 60.54 C ATOM 0 H LEU A 3 2.123 7.198 -5.228 1.00 21.20 H new ATOM 0 HA LEU A 3 0.550 6.180 -2.934 1.00 25.11 H new ATOM 0 HB2 LEU A 3 1.399 9.037 -3.527 1.00 43.11 H new ATOM 0 HB3 LEU A 3 0.345 8.540 -2.218 1.00 43.11 H new ATOM 0 HG LEU A 3 3.108 7.377 -2.383 1.00 33.52 H new ATOM 0 HD11 LEU A 3 3.974 9.266 -1.061 1.00 74.40 H new ATOM 0 HD12 LEU A 3 3.447 9.780 -2.682 1.00 74.40 H new ATOM 0 HD13 LEU A 3 2.423 10.114 -1.265 1.00 74.40 H new ATOM 0 HD21 LEU A 3 2.866 7.375 0.071 1.00 60.54 H new ATOM 0 HD22 LEU A 3 1.272 8.149 -0.090 1.00 60.54 H new ATOM 0 HD23 LEU A 3 1.532 6.506 -0.723 1.00 60.54 H new ATOM 48 N ASN A 4 -0.376 8.342 -5.268 1.00 23.11 N ATOM 49 CA ASN A 4 -1.493 8.737 -6.117 1.00 53.24 C ATOM 50 C ASN A 4 -1.205 8.414 -7.580 1.00 74.24 C ATOM 51 O ASN A 4 -0.056 8.255 -7.992 1.00 51.14 O ATOM 52 CB ASN A 4 -1.776 10.233 -5.960 1.00 75.52 C ATOM 53 CG ASN A 4 -0.508 11.046 -5.791 1.00 12.53 C ATOM 54 OD1 ASN A 4 0.399 10.983 -6.621 1.00 12.32 O ATOM 55 ND2 ASN A 4 -0.439 11.816 -4.711 1.00 14.41 N ATOM 0 H ASN A 4 0.450 8.934 -5.355 1.00 23.11 H new ATOM 0 HA ASN A 4 -2.372 8.173 -5.805 1.00 53.24 H new ATOM 0 HB2 ASN A 4 -2.320 10.591 -6.834 1.00 75.52 H new ATOM 0 HB3 ASN A 4 -2.422 10.389 -5.096 1.00 75.52 H new ATOM 0 HD21 ASN A 4 0.390 12.386 -4.543 1.00 14.41 H new ATOM 0 HD22 ASN A 4 -1.215 11.837 -4.049 1.00 14.41 H new ATOM 62 N PRO A 5 -2.274 8.314 -8.385 1.00 64.15 N ATOM 63 CA PRO A 5 -2.162 8.010 -9.815 1.00 64.11 C ATOM 64 C PRO A 5 -1.550 9.161 -10.606 1.00 52.05 C ATOM 65 O PRO A 5 -0.909 8.948 -11.635 1.00 55.03 O ATOM 66 CB PRO A 5 -3.613 7.778 -10.243 1.00 42.12 C ATOM 67 CG PRO A 5 -4.425 8.552 -9.263 1.00 31.42 C ATOM 68 CD PRO A 5 -3.673 8.491 -7.962 1.00 61.32 C ATOM 0 HA PRO A 5 -1.507 7.158 -10.001 1.00 64.11 H new ATOM 0 HB2 PRO A 5 -3.786 8.125 -11.262 1.00 42.12 H new ATOM 0 HB3 PRO A 5 -3.868 6.719 -10.220 1.00 42.12 H new ATOM 0 HG2 PRO A 5 -4.554 9.583 -9.591 1.00 31.42 H new ATOM 0 HG3 PRO A 5 -5.422 8.124 -9.158 1.00 31.42 H new ATOM 0 HD2 PRO A 5 -3.804 9.402 -7.379 1.00 61.32 H new ATOM 0 HD3 PRO A 5 -4.013 7.663 -7.340 1.00 61.32 H new ATOM 76 N ALA A 6 -1.752 10.381 -10.119 1.00 71.13 N ATOM 77 CA ALA A 6 -1.218 11.565 -10.780 1.00 53.41 C ATOM 78 C ALA A 6 -1.680 11.639 -12.232 1.00 2.24 C ATOM 79 O ALA A 6 -1.020 12.251 -13.073 1.00 72.42 O ATOM 80 CB ALA A 6 0.301 11.571 -10.706 1.00 44.04 C ATOM 0 H ALA A 6 -2.282 10.575 -9.269 1.00 71.13 H new ATOM 0 HA ALA A 6 -1.599 12.444 -10.260 1.00 53.41 H new ATOM 0 HB1 ALA A 6 0.686 12.461 -11.204 1.00 44.04 H new ATOM 0 HB2 ALA A 6 0.614 11.575 -9.662 1.00 44.04 H new ATOM 0 HB3 ALA A 6 0.693 10.681 -11.199 1.00 44.04 H new ATOM 86 N LEU A 7 -2.815 11.013 -12.519 1.00 33.41 N ATOM 87 CA LEU A 7 -3.365 11.007 -13.870 1.00 72.31 C ATOM 88 C LEU A 7 -4.559 11.950 -13.976 1.00 51.14 C ATOM 89 O LEU A 7 -4.739 12.627 -14.988 1.00 65.24 O ATOM 90 CB LEU A 7 -3.784 9.589 -14.265 1.00 41.54 C ATOM 91 CG LEU A 7 -3.487 9.180 -15.708 1.00 72.24 C ATOM 92 CD1 LEU A 7 -2.024 8.798 -15.865 1.00 25.34 C ATOM 93 CD2 LEU A 7 -4.389 8.029 -16.132 1.00 42.43 C ATOM 0 H LEU A 7 -3.373 10.503 -11.834 1.00 33.41 H new ATOM 0 HA LEU A 7 -2.590 11.354 -14.553 1.00 72.31 H new ATOM 0 HB2 LEU A 7 -3.285 8.885 -13.599 1.00 41.54 H new ATOM 0 HB3 LEU A 7 -4.855 9.487 -14.092 1.00 41.54 H new ATOM 0 HG LEU A 7 -3.690 10.033 -16.356 1.00 72.24 H new ATOM 0 HD11 LEU A 7 -1.832 8.510 -16.899 1.00 25.34 H new ATOM 0 HD12 LEU A 7 -1.396 9.649 -15.603 1.00 25.34 H new ATOM 0 HD13 LEU A 7 -1.794 7.961 -15.206 1.00 25.34 H new ATOM 0 HD21 LEU A 7 -4.164 7.751 -17.162 1.00 42.43 H new ATOM 0 HD22 LEU A 7 -4.218 7.173 -15.479 1.00 42.43 H new ATOM 0 HD23 LEU A 7 -5.432 8.338 -16.059 1.00 42.43 H new ATOM 105 N GLN A 8 -5.370 11.990 -12.924 1.00 53.43 N ATOM 106 CA GLN A 8 -6.546 12.852 -12.900 1.00 10.45 C ATOM 107 C GLN A 8 -6.903 13.245 -11.470 1.00 1.32 C ATOM 108 O GLN A 8 -8.070 13.212 -11.081 1.00 2.44 O ATOM 109 CB GLN A 8 -7.734 12.150 -13.560 1.00 23.24 C ATOM 110 CG GLN A 8 -7.684 12.167 -15.079 1.00 5.52 C ATOM 111 CD GLN A 8 -8.980 11.702 -15.711 1.00 54.20 C ATOM 112 OE1 GLN A 8 -9.664 10.827 -15.180 1.00 35.12 O ATOM 113 NE2 GLN A 8 -9.326 12.287 -16.852 1.00 72.10 N ATOM 0 H GLN A 8 -5.235 11.436 -12.078 1.00 53.43 H new ATOM 0 HA GLN A 8 -6.312 13.758 -13.460 1.00 10.45 H new ATOM 0 HB2 GLN A 8 -7.770 11.116 -13.218 1.00 23.24 H new ATOM 0 HB3 GLN A 8 -8.657 12.627 -13.230 1.00 23.24 H new ATOM 0 HG2 GLN A 8 -7.460 13.178 -15.420 1.00 5.52 H new ATOM 0 HG3 GLN A 8 -6.869 11.528 -15.419 1.00 5.52 H new ATOM 0 HE21 GLN A 8 -8.729 13.008 -17.257 1.00 72.10 H new ATOM 0 HE22 GLN A 8 -10.189 12.015 -17.323 1.00 72.10 H new ATOM 122 N GLU A 9 -5.890 13.616 -10.693 1.00 10.13 N ATOM 123 CA GLU A 9 -6.098 14.014 -9.305 1.00 73.04 C ATOM 124 C GLU A 9 -5.915 15.520 -9.138 1.00 22.42 C ATOM 125 O GLU A 9 -5.432 15.987 -8.106 1.00 62.02 O ATOM 126 CB GLU A 9 -5.131 13.266 -8.386 1.00 64.32 C ATOM 127 CG GLU A 9 -3.668 13.486 -8.734 1.00 21.41 C ATOM 128 CD GLU A 9 -2.729 12.966 -7.663 1.00 31.33 C ATOM 129 OE1 GLU A 9 -3.204 12.690 -6.541 1.00 13.51 O ATOM 130 OE2 GLU A 9 -1.520 12.834 -7.945 1.00 40.34 O ATOM 0 H GLU A 9 -4.918 13.649 -11.001 1.00 10.13 H new ATOM 0 HA GLU A 9 -7.121 13.757 -9.029 1.00 73.04 H new ATOM 0 HB2 GLU A 9 -5.303 13.582 -7.357 1.00 64.32 H new ATOM 0 HB3 GLU A 9 -5.350 12.199 -8.432 1.00 64.32 H new ATOM 0 HG2 GLU A 9 -3.445 12.991 -9.679 1.00 21.41 H new ATOM 0 HG3 GLU A 9 -3.490 14.551 -8.882 1.00 21.41 H new ATOM 137 N LYS A 10 -6.303 16.274 -10.160 1.00 13.41 N ATOM 138 CA LYS A 10 -6.183 17.727 -10.128 1.00 14.10 C ATOM 139 C LYS A 10 -6.825 18.298 -8.868 1.00 1.44 C ATOM 140 O LYS A 10 -7.529 17.593 -8.144 1.00 51.33 O ATOM 141 CB LYS A 10 -6.836 18.341 -11.369 1.00 35.25 C ATOM 142 CG LYS A 10 -5.946 18.319 -12.598 1.00 45.35 C ATOM 143 CD LYS A 10 -5.879 16.932 -13.215 1.00 54.11 C ATOM 144 CE LYS A 10 -5.809 17.000 -14.733 1.00 25.41 C ATOM 145 NZ LYS A 10 -4.778 16.075 -15.282 1.00 1.33 N ATOM 0 H LYS A 10 -6.704 15.903 -11.022 1.00 13.41 H new ATOM 0 HA LYS A 10 -5.123 17.979 -10.121 1.00 14.10 H new ATOM 0 HB2 LYS A 10 -7.758 17.802 -11.589 1.00 35.25 H new ATOM 0 HB3 LYS A 10 -7.114 19.372 -11.150 1.00 35.25 H new ATOM 0 HG2 LYS A 10 -6.324 19.028 -13.335 1.00 45.35 H new ATOM 0 HG3 LYS A 10 -4.942 18.646 -12.327 1.00 45.35 H new ATOM 0 HD2 LYS A 10 -5.005 16.404 -12.833 1.00 54.11 H new ATOM 0 HD3 LYS A 10 -6.755 16.357 -12.916 1.00 54.11 H new ATOM 0 HE2 LYS A 10 -6.783 16.749 -15.153 1.00 25.41 H new ATOM 0 HE3 LYS A 10 -5.582 18.021 -15.041 1.00 25.41 H new ATOM 0 HZ1 LYS A 10 -4.761 16.150 -16.319 1.00 1.33 H new ATOM 0 HZ2 LYS A 10 -3.845 16.330 -14.901 1.00 1.33 H new ATOM 0 HZ3 LYS A 10 -5.008 15.098 -15.010 1.00 1.33 H new ATOM 159 N ILE A 11 -6.578 19.579 -8.612 1.00 31.33 N ATOM 160 CA ILE A 11 -7.134 20.244 -7.440 1.00 52.12 C ATOM 161 C ILE A 11 -7.385 21.723 -7.715 1.00 73.23 C ATOM 162 O ILE A 11 -6.649 22.358 -8.470 1.00 0.22 O ATOM 163 CB ILE A 11 -6.202 20.111 -6.222 1.00 3.33 C ATOM 164 CG1 ILE A 11 -6.918 20.573 -4.951 1.00 51.00 C ATOM 165 CG2 ILE A 11 -4.928 20.914 -6.440 1.00 1.34 C ATOM 166 CD1 ILE A 11 -8.141 19.749 -4.613 1.00 64.41 C ATOM 0 H ILE A 11 -5.997 20.176 -9.200 1.00 31.33 H new ATOM 0 HA ILE A 11 -8.081 19.752 -7.218 1.00 52.12 H new ATOM 0 HB ILE A 11 -5.932 19.062 -6.103 1.00 3.33 H new ATOM 0 HG12 ILE A 11 -6.220 20.532 -4.115 1.00 51.00 H new ATOM 0 HG13 ILE A 11 -7.213 21.616 -5.069 1.00 51.00 H new ATOM 0 HG21 ILE A 11 -4.279 20.810 -5.570 1.00 1.34 H new ATOM 0 HG22 ILE A 11 -4.411 20.543 -7.325 1.00 1.34 H new ATOM 0 HG23 ILE A 11 -5.180 21.965 -6.581 1.00 1.34 H new ATOM 0 HD11 ILE A 11 -8.598 20.133 -3.701 1.00 64.41 H new ATOM 0 HD12 ILE A 11 -8.858 19.810 -5.431 1.00 64.41 H new ATOM 0 HD13 ILE A 11 -7.849 18.710 -4.463 1.00 64.41 H new ATOM 178 N SER A 12 -8.429 22.265 -7.097 1.00 12.34 N ATOM 179 CA SER A 12 -8.779 23.669 -7.276 1.00 52.50 C ATOM 180 C SER A 12 -9.188 23.947 -8.719 1.00 54.23 C ATOM 181 O SER A 12 -8.792 23.230 -9.639 1.00 54.30 O ATOM 182 CB SER A 12 -7.601 24.564 -6.887 1.00 1.41 C ATOM 183 OG SER A 12 -6.855 24.950 -8.028 1.00 42.13 O ATOM 0 H SER A 12 -9.047 21.753 -6.468 1.00 12.34 H new ATOM 0 HA SER A 12 -9.626 23.892 -6.627 1.00 52.50 H new ATOM 0 HB2 SER A 12 -7.969 25.451 -6.372 1.00 1.41 H new ATOM 0 HB3 SER A 12 -6.954 24.035 -6.187 1.00 1.41 H new ATOM 0 HG SER A 12 -6.538 24.150 -8.497 1.00 42.13 H new ATOM 189 N THR A 13 -9.985 24.994 -8.911 1.00 12.10 N ATOM 190 CA THR A 13 -10.450 25.367 -10.241 1.00 12.32 C ATOM 191 C THR A 13 -10.440 26.881 -10.422 1.00 70.11 C ATOM 192 O THR A 13 -9.882 27.395 -11.391 1.00 23.23 O ATOM 193 CB THR A 13 -11.872 24.839 -10.507 1.00 54.34 C ATOM 194 OG1 THR A 13 -11.958 23.457 -10.145 1.00 24.32 O ATOM 195 CG2 THR A 13 -12.247 25.009 -11.972 1.00 62.31 C ATOM 0 H THR A 13 -10.322 25.599 -8.162 1.00 12.10 H new ATOM 0 HA THR A 13 -9.763 24.914 -10.955 1.00 12.32 H new ATOM 0 HB THR A 13 -12.569 25.417 -9.900 1.00 54.34 H new ATOM 0 HG1 THR A 13 -12.866 23.130 -10.316 1.00 24.32 H new ATOM 0 HG21 THR A 13 -13.255 24.629 -12.136 1.00 62.31 H new ATOM 0 HG22 THR A 13 -12.210 26.066 -12.237 1.00 62.31 H new ATOM 0 HG23 THR A 13 -11.545 24.454 -12.594 1.00 62.31 H new ATOM 203 N GLU A 14 -11.061 27.589 -9.484 1.00 24.15 N ATOM 204 CA GLU A 14 -11.122 29.045 -9.541 1.00 72.34 C ATOM 205 C GLU A 14 -10.691 29.661 -8.214 1.00 23.34 C ATOM 206 O GLU A 14 -10.736 30.879 -8.037 1.00 73.14 O ATOM 207 CB GLU A 14 -12.539 29.504 -9.893 1.00 22.22 C ATOM 208 CG GLU A 14 -12.576 30.691 -10.840 1.00 74.15 C ATOM 209 CD GLU A 14 -13.422 30.428 -12.072 1.00 1.15 C ATOM 210 OE1 GLU A 14 -14.643 30.219 -11.918 1.00 35.42 O ATOM 211 OE2 GLU A 14 -12.863 30.432 -13.188 1.00 24.51 O ATOM 0 H GLU A 14 -11.529 27.178 -8.676 1.00 24.15 H new ATOM 0 HA GLU A 14 -10.435 29.382 -10.317 1.00 72.34 H new ATOM 0 HB2 GLU A 14 -13.080 28.672 -10.345 1.00 22.22 H new ATOM 0 HB3 GLU A 14 -13.066 29.765 -8.975 1.00 22.22 H new ATOM 0 HG2 GLU A 14 -12.969 31.560 -10.312 1.00 74.15 H new ATOM 0 HG3 GLU A 14 -11.560 30.938 -11.147 1.00 74.15 H new ATOM 218 N LEU A 15 -10.273 28.811 -7.282 1.00 64.22 N ATOM 219 CA LEU A 15 -9.833 29.270 -5.969 1.00 50.12 C ATOM 220 C LEU A 15 -11.028 29.573 -5.070 1.00 45.13 C ATOM 221 O LEU A 15 -10.881 29.732 -3.859 1.00 62.03 O ATOM 222 CB LEU A 15 -8.957 30.516 -6.110 1.00 11.20 C ATOM 223 CG LEU A 15 -7.715 30.567 -5.220 1.00 2.51 C ATOM 224 CD1 LEU A 15 -8.111 30.601 -3.752 1.00 21.30 C ATOM 225 CD2 LEU A 15 -6.807 29.379 -5.503 1.00 1.45 C ATOM 0 H LEU A 15 -10.230 27.800 -7.411 1.00 64.22 H new ATOM 0 HA LEU A 15 -9.249 28.473 -5.509 1.00 50.12 H new ATOM 0 HB2 LEU A 15 -8.638 30.596 -7.149 1.00 11.20 H new ATOM 0 HB3 LEU A 15 -9.569 31.392 -5.896 1.00 11.20 H new ATOM 0 HG LEU A 15 -7.166 31.481 -5.447 1.00 2.51 H new ATOM 0 HD11 LEU A 15 -7.214 30.637 -3.134 1.00 21.30 H new ATOM 0 HD12 LEU A 15 -8.720 31.484 -3.560 1.00 21.30 H new ATOM 0 HD13 LEU A 15 -8.683 29.706 -3.509 1.00 21.30 H new ATOM 0 HD21 LEU A 15 -5.928 29.432 -4.861 1.00 1.45 H new ATOM 0 HD22 LEU A 15 -7.347 28.453 -5.304 1.00 1.45 H new ATOM 0 HD23 LEU A 15 -6.495 29.400 -6.547 1.00 1.45 H new ATOM 237 N ASN A 16 -12.210 29.649 -5.672 1.00 51.50 N ATOM 238 CA ASN A 16 -13.431 29.932 -4.925 1.00 62.54 C ATOM 239 C ASN A 16 -14.175 28.642 -4.592 1.00 41.02 C ATOM 240 O ASN A 16 -14.610 28.440 -3.460 1.00 32.34 O ATOM 241 CB ASN A 16 -14.340 30.865 -5.727 1.00 44.43 C ATOM 242 CG ASN A 16 -15.291 31.647 -4.842 1.00 43.30 C ATOM 243 OD1 ASN A 16 -14.865 32.458 -4.019 1.00 54.21 O ATOM 244 ND2 ASN A 16 -16.586 31.406 -5.007 1.00 40.14 N ATOM 0 H ASN A 16 -12.349 29.519 -6.674 1.00 51.50 H new ATOM 0 HA ASN A 16 -13.152 30.422 -3.992 1.00 62.54 H new ATOM 0 HB2 ASN A 16 -13.727 31.560 -6.301 1.00 44.43 H new ATOM 0 HB3 ASN A 16 -14.914 30.280 -6.445 1.00 44.43 H new ATOM 0 HD21 ASN A 16 -17.273 31.902 -4.439 1.00 40.14 H new ATOM 0 HD22 ASN A 16 -16.894 30.725 -5.701 1.00 40.14 H new ATOM 251 N ASN A 17 -14.316 27.773 -5.588 1.00 32.34 N ATOM 252 CA ASN A 17 -15.007 26.502 -5.400 1.00 55.25 C ATOM 253 C ASN A 17 -14.114 25.498 -4.679 1.00 31.03 C ATOM 254 O ASN A 17 -14.594 24.508 -4.126 1.00 30.00 O ATOM 255 CB ASN A 17 -15.446 25.933 -6.751 1.00 74.21 C ATOM 256 CG ASN A 17 -15.898 27.013 -7.715 1.00 15.24 C ATOM 257 OD1 ASN A 17 -16.593 27.954 -7.329 1.00 21.43 O ATOM 258 ND2 ASN A 17 -15.506 26.883 -8.976 1.00 64.43 N ATOM 0 H ASN A 17 -13.962 27.925 -6.532 1.00 32.34 H new ATOM 0 HA ASN A 17 -15.888 26.683 -4.785 1.00 55.25 H new ATOM 0 HB2 ASN A 17 -14.619 25.378 -7.194 1.00 74.21 H new ATOM 0 HB3 ASN A 17 -16.260 25.224 -6.596 1.00 74.21 H new ATOM 0 HD21 ASN A 17 -15.780 27.579 -9.670 1.00 64.43 H new ATOM 0 HD22 ASN A 17 -14.931 26.087 -9.252 1.00 64.43 H new ATOM 265 N LYS A 18 -12.812 25.760 -4.687 1.00 44.11 N ATOM 266 CA LYS A 18 -11.850 24.882 -4.032 1.00 64.33 C ATOM 267 C LYS A 18 -12.263 24.600 -2.591 1.00 43.42 C ATOM 268 O LYS A 18 -12.112 23.482 -2.101 1.00 21.05 O ATOM 269 CB LYS A 18 -10.454 25.509 -4.061 1.00 22.42 C ATOM 270 CG LYS A 18 -9.328 24.490 -4.015 1.00 33.40 C ATOM 271 CD LYS A 18 -8.990 24.096 -2.587 1.00 12.02 C ATOM 272 CE LYS A 18 -8.371 22.708 -2.523 1.00 1.31 C ATOM 273 NZ LYS A 18 -6.899 22.747 -2.747 1.00 72.23 N ATOM 0 H LYS A 18 -12.398 26.574 -5.141 1.00 44.11 H new ATOM 0 HA LYS A 18 -11.829 23.938 -4.576 1.00 64.33 H new ATOM 0 HB2 LYS A 18 -10.353 26.109 -4.965 1.00 22.42 H new ATOM 0 HB3 LYS A 18 -10.352 26.189 -3.215 1.00 22.42 H new ATOM 0 HG2 LYS A 18 -9.616 23.603 -4.580 1.00 33.40 H new ATOM 0 HG3 LYS A 18 -8.443 24.903 -4.499 1.00 33.40 H new ATOM 0 HD2 LYS A 18 -8.299 24.824 -2.162 1.00 12.02 H new ATOM 0 HD3 LYS A 18 -9.894 24.121 -1.978 1.00 12.02 H new ATOM 0 HE2 LYS A 18 -8.579 22.262 -1.550 1.00 1.31 H new ATOM 0 HE3 LYS A 18 -8.836 22.068 -3.273 1.00 1.31 H new ATOM 0 HZ1 LYS A 18 -6.497 21.803 -2.579 1.00 72.23 H new ATOM 0 HZ2 LYS A 18 -6.704 23.037 -3.727 1.00 72.23 H new ATOM 0 HZ3 LYS A 18 -6.466 23.429 -2.092 1.00 72.23 H new ATOM 287 N GLN A 19 -12.785 25.622 -1.920 1.00 71.20 N ATOM 288 CA GLN A 19 -13.221 25.483 -0.535 1.00 65.44 C ATOM 289 C GLN A 19 -14.334 24.447 -0.416 1.00 52.44 C ATOM 290 O GLN A 19 -14.307 23.591 0.468 1.00 72.13 O ATOM 291 CB GLN A 19 -13.700 26.830 0.008 1.00 22.45 C ATOM 292 CG GLN A 19 -12.589 27.671 0.616 1.00 64.25 C ATOM 293 CD GLN A 19 -13.091 28.614 1.691 1.00 75.31 C ATOM 294 OE1 GLN A 19 -13.933 29.475 1.434 1.00 74.33 O ATOM 295 NE2 GLN A 19 -12.577 28.456 2.905 1.00 60.22 N ATOM 0 H GLN A 19 -12.916 26.554 -2.312 1.00 71.20 H new ATOM 0 HA GLN A 19 -12.370 25.144 0.056 1.00 65.44 H new ATOM 0 HB2 GLN A 19 -14.169 27.392 -0.800 1.00 22.45 H new ATOM 0 HB3 GLN A 19 -14.467 26.656 0.763 1.00 22.45 H new ATOM 0 HG2 GLN A 19 -11.831 27.012 1.041 1.00 64.25 H new ATOM 0 HG3 GLN A 19 -12.104 28.249 -0.171 1.00 64.25 H new ATOM 0 HE21 GLN A 19 -11.881 27.729 3.074 1.00 60.22 H new ATOM 0 HE22 GLN A 19 -12.878 29.061 3.669 1.00 60.22 H new ATOM 304 N TYR A 20 -15.312 24.533 -1.311 1.00 71.53 N ATOM 305 CA TYR A 20 -16.437 23.605 -1.305 1.00 21.22 C ATOM 306 C TYR A 20 -15.997 22.212 -1.747 1.00 12.33 C ATOM 307 O TYR A 20 -16.338 21.213 -1.115 1.00 74.14 O ATOM 308 CB TYR A 20 -17.551 24.115 -2.221 1.00 21.44 C ATOM 309 CG TYR A 20 -18.658 24.834 -1.484 1.00 51.54 C ATOM 310 CD1 TYR A 20 -18.405 26.008 -0.785 1.00 51.31 C ATOM 311 CD2 TYR A 20 -19.957 24.341 -1.487 1.00 63.30 C ATOM 312 CE1 TYR A 20 -19.413 26.669 -0.110 1.00 53.34 C ATOM 313 CE2 TYR A 20 -20.971 24.996 -0.816 1.00 73.44 C ATOM 314 CZ TYR A 20 -20.695 26.159 -0.129 1.00 43.34 C ATOM 315 OH TYR A 20 -21.702 26.814 0.541 1.00 34.11 O ATOM 0 H TYR A 20 -15.349 25.236 -2.050 1.00 71.53 H new ATOM 0 HA TYR A 20 -16.816 23.540 -0.285 1.00 21.22 H new ATOM 0 HB2 TYR A 20 -17.121 24.789 -2.962 1.00 21.44 H new ATOM 0 HB3 TYR A 20 -17.976 23.272 -2.766 1.00 21.44 H new ATOM 0 HD1 TYR A 20 -17.403 26.411 -0.769 1.00 51.31 H new ATOM 0 HD2 TYR A 20 -20.178 23.430 -2.023 1.00 63.30 H new ATOM 0 HE1 TYR A 20 -19.199 27.580 0.429 1.00 53.34 H new ATOM 0 HE2 TYR A 20 -21.975 24.599 -0.829 1.00 73.44 H new ATOM 0 HH TYR A 20 -22.543 26.324 0.427 1.00 34.11 H new ATOM 325 N GLU A 21 -15.237 22.157 -2.836 1.00 21.11 N ATOM 326 CA GLU A 21 -14.750 20.887 -3.363 1.00 12.40 C ATOM 327 C GLU A 21 -13.883 20.168 -2.334 1.00 33.51 C ATOM 328 O GLU A 21 -14.043 18.969 -2.101 1.00 23.43 O ATOM 329 CB GLU A 21 -13.952 21.116 -4.648 1.00 62.12 C ATOM 330 CG GLU A 21 -14.463 20.314 -5.833 1.00 53.11 C ATOM 331 CD GLU A 21 -14.153 20.975 -7.162 1.00 63.42 C ATOM 332 OE1 GLU A 21 -14.694 22.069 -7.422 1.00 55.15 O ATOM 333 OE2 GLU A 21 -13.367 20.396 -7.942 1.00 51.31 O ATOM 0 H GLU A 21 -14.945 22.976 -3.370 1.00 21.11 H new ATOM 0 HA GLU A 21 -15.613 20.260 -3.587 1.00 12.40 H new ATOM 0 HB2 GLU A 21 -13.980 22.176 -4.899 1.00 62.12 H new ATOM 0 HB3 GLU A 21 -12.908 20.858 -4.468 1.00 62.12 H new ATOM 0 HG2 GLU A 21 -14.017 19.320 -5.813 1.00 53.11 H new ATOM 0 HG3 GLU A 21 -15.541 20.182 -5.740 1.00 53.11 H new ATOM 340 N LEU A 22 -12.965 20.907 -1.722 1.00 13.14 N ATOM 341 CA LEU A 22 -12.072 20.341 -0.717 1.00 64.43 C ATOM 342 C LEU A 22 -12.826 20.035 0.573 1.00 50.42 C ATOM 343 O LEU A 22 -12.505 19.081 1.281 1.00 4.13 O ATOM 344 CB LEU A 22 -10.918 21.304 -0.431 1.00 70.43 C ATOM 345 CG LEU A 22 -9.938 20.872 0.661 1.00 55.03 C ATOM 346 CD1 LEU A 22 -8.719 20.201 0.049 1.00 63.13 C ATOM 347 CD2 LEU A 22 -9.524 22.066 1.508 1.00 42.45 C ATOM 0 H LEU A 22 -12.819 21.900 -1.904 1.00 13.14 H new ATOM 0 HA LEU A 22 -11.669 19.407 -1.110 1.00 64.43 H new ATOM 0 HB2 LEU A 22 -10.359 21.454 -1.355 1.00 70.43 H new ATOM 0 HB3 LEU A 22 -11.338 22.270 -0.153 1.00 70.43 H new ATOM 0 HG LEU A 22 -10.438 20.150 1.307 1.00 55.03 H new ATOM 0 HD11 LEU A 22 -8.033 19.901 0.841 1.00 63.13 H new ATOM 0 HD12 LEU A 22 -9.032 19.321 -0.513 1.00 63.13 H new ATOM 0 HD13 LEU A 22 -8.217 20.900 -0.620 1.00 63.13 H new ATOM 0 HD21 LEU A 22 -8.827 21.740 2.280 1.00 42.45 H new ATOM 0 HD22 LEU A 22 -9.042 22.812 0.875 1.00 42.45 H new ATOM 0 HD23 LEU A 22 -10.406 22.503 1.977 1.00 42.45 H new ATOM 359 N PHE A 23 -13.832 20.851 0.871 1.00 72.32 N ATOM 360 CA PHE A 23 -14.634 20.667 2.075 1.00 2.31 C ATOM 361 C PHE A 23 -15.249 19.271 2.112 1.00 41.33 C ATOM 362 O PHE A 23 -15.133 18.557 3.107 1.00 71.43 O ATOM 363 CB PHE A 23 -15.737 21.725 2.145 1.00 73.02 C ATOM 364 CG PHE A 23 -16.742 21.473 3.233 1.00 63.44 C ATOM 365 CD1 PHE A 23 -16.328 21.140 4.512 1.00 23.14 C ATOM 366 CD2 PHE A 23 -18.100 21.568 2.976 1.00 42.44 C ATOM 367 CE1 PHE A 23 -17.250 20.906 5.515 1.00 50.42 C ATOM 368 CE2 PHE A 23 -19.027 21.336 3.974 1.00 1.42 C ATOM 369 CZ PHE A 23 -18.601 21.006 5.246 1.00 72.02 C ATOM 0 H PHE A 23 -14.111 21.646 0.296 1.00 72.32 H new ATOM 0 HA PHE A 23 -13.978 20.778 2.938 1.00 2.31 H new ATOM 0 HB2 PHE A 23 -15.282 22.703 2.301 1.00 73.02 H new ATOM 0 HB3 PHE A 23 -16.254 21.764 1.186 1.00 73.02 H new ATOM 0 HD1 PHE A 23 -15.273 21.062 4.728 1.00 23.14 H new ATOM 0 HD2 PHE A 23 -18.438 21.827 1.983 1.00 42.44 H new ATOM 0 HE1 PHE A 23 -16.914 20.645 6.508 1.00 50.42 H new ATOM 0 HE2 PHE A 23 -20.083 21.413 3.760 1.00 1.42 H new ATOM 0 HZ PHE A 23 -19.323 20.827 6.029 1.00 72.02 H new ATOM 379 N MET A 24 -15.903 18.891 1.019 1.00 34.24 N ATOM 380 CA MET A 24 -16.536 17.580 0.926 1.00 55.41 C ATOM 381 C MET A 24 -15.497 16.490 0.684 1.00 0.53 C ATOM 382 O MET A 24 -15.640 15.365 1.161 1.00 34.54 O ATOM 383 CB MET A 24 -17.574 17.570 -0.199 1.00 3.53 C ATOM 384 CG MET A 24 -18.985 17.881 0.273 1.00 21.24 C ATOM 385 SD MET A 24 -20.170 16.606 -0.196 1.00 55.11 S ATOM 386 CE MET A 24 -19.425 15.159 0.551 1.00 35.14 C ATOM 0 H MET A 24 -16.008 19.471 0.187 1.00 34.24 H new ATOM 0 HA MET A 24 -17.035 17.377 1.874 1.00 55.41 H new ATOM 0 HB2 MET A 24 -17.284 18.299 -0.956 1.00 3.53 H new ATOM 0 HB3 MET A 24 -17.568 16.592 -0.679 1.00 3.53 H new ATOM 0 HG2 MET A 24 -18.985 17.991 1.357 1.00 21.24 H new ATOM 0 HG3 MET A 24 -19.301 18.837 -0.144 1.00 21.24 H new ATOM 0 HE1 MET A 24 -20.200 14.427 0.779 1.00 35.14 H new ATOM 0 HE2 MET A 24 -18.705 14.722 -0.141 1.00 35.14 H new ATOM 0 HE3 MET A 24 -18.916 15.446 1.471 1.00 35.14 H new ATOM 396 N LYS A 25 -14.450 16.832 -0.060 1.00 33.25 N ATOM 397 CA LYS A 25 -13.386 15.883 -0.364 1.00 44.31 C ATOM 398 C LYS A 25 -12.694 15.414 0.912 1.00 63.24 C ATOM 399 O LYS A 25 -12.494 14.217 1.116 1.00 64.51 O ATOM 400 CB LYS A 25 -12.362 16.519 -1.307 1.00 52.55 C ATOM 401 CG LYS A 25 -11.243 15.577 -1.716 1.00 12.12 C ATOM 402 CD LYS A 25 -9.883 16.245 -1.605 1.00 51.55 C ATOM 403 CE LYS A 25 -9.497 16.487 -0.154 1.00 63.33 C ATOM 404 NZ LYS A 25 -8.022 16.610 0.014 1.00 32.30 N ATOM 0 H LYS A 25 -14.316 17.759 -0.463 1.00 33.25 H new ATOM 0 HA LYS A 25 -13.834 15.018 -0.853 1.00 44.31 H new ATOM 0 HB2 LYS A 25 -12.875 16.871 -2.202 1.00 52.55 H new ATOM 0 HB3 LYS A 25 -11.930 17.394 -0.823 1.00 52.55 H new ATOM 0 HG2 LYS A 25 -11.265 14.688 -1.085 1.00 12.12 H new ATOM 0 HG3 LYS A 25 -11.403 15.244 -2.741 1.00 12.12 H new ATOM 0 HD2 LYS A 25 -9.129 15.620 -2.084 1.00 51.55 H new ATOM 0 HD3 LYS A 25 -9.898 17.194 -2.142 1.00 51.55 H new ATOM 0 HE2 LYS A 25 -9.980 17.396 0.204 1.00 63.33 H new ATOM 0 HE3 LYS A 25 -9.866 15.667 0.462 1.00 63.33 H new ATOM 0 HZ1 LYS A 25 -7.799 16.774 1.017 1.00 32.30 H new ATOM 0 HZ2 LYS A 25 -7.562 15.733 -0.304 1.00 32.30 H new ATOM 0 HZ3 LYS A 25 -7.673 17.409 -0.553 1.00 32.30 H new ATOM 418 N SER A 26 -12.332 16.364 1.767 1.00 0.34 N ATOM 419 CA SER A 26 -11.660 16.048 3.022 1.00 34.35 C ATOM 420 C SER A 26 -12.607 15.330 3.979 1.00 34.51 C ATOM 421 O SER A 26 -12.186 14.487 4.773 1.00 61.03 O ATOM 422 CB SER A 26 -11.128 17.324 3.677 1.00 42.05 C ATOM 423 OG SER A 26 -10.988 17.159 5.077 1.00 14.51 O ATOM 0 H SER A 26 -12.493 17.360 1.614 1.00 0.34 H new ATOM 0 HA SER A 26 -10.823 15.386 2.800 1.00 34.35 H new ATOM 0 HB2 SER A 26 -10.164 17.586 3.240 1.00 42.05 H new ATOM 0 HB3 SER A 26 -11.806 18.152 3.471 1.00 42.05 H new ATOM 0 HG SER A 26 -10.645 17.988 5.471 1.00 14.51 H new ATOM 429 N LEU A 27 -13.889 15.669 3.898 1.00 32.23 N ATOM 430 CA LEU A 27 -14.898 15.057 4.756 1.00 11.33 C ATOM 431 C LEU A 27 -15.152 13.609 4.351 1.00 30.22 C ATOM 432 O LEU A 27 -15.141 12.708 5.191 1.00 50.30 O ATOM 433 CB LEU A 27 -16.203 15.853 4.690 1.00 4.52 C ATOM 434 CG LEU A 27 -17.267 15.484 5.724 1.00 54.24 C ATOM 435 CD1 LEU A 27 -18.231 16.642 5.935 1.00 63.14 C ATOM 436 CD2 LEU A 27 -18.020 14.234 5.291 1.00 4.10 C ATOM 0 H LEU A 27 -14.254 16.364 3.247 1.00 32.23 H new ATOM 0 HA LEU A 27 -14.524 15.068 5.780 1.00 11.33 H new ATOM 0 HB2 LEU A 27 -15.966 16.911 4.804 1.00 4.52 H new ATOM 0 HB3 LEU A 27 -16.632 15.727 3.696 1.00 4.52 H new ATOM 0 HG LEU A 27 -16.769 15.275 6.671 1.00 54.24 H new ATOM 0 HD11 LEU A 27 -18.981 16.361 6.674 1.00 63.14 H new ATOM 0 HD12 LEU A 27 -17.681 17.513 6.290 1.00 63.14 H new ATOM 0 HD13 LEU A 27 -18.723 16.882 4.992 1.00 63.14 H new ATOM 0 HD21 LEU A 27 -18.773 13.986 6.039 1.00 4.10 H new ATOM 0 HD22 LEU A 27 -18.506 14.416 4.332 1.00 4.10 H new ATOM 0 HD23 LEU A 27 -17.320 13.404 5.191 1.00 4.10 H new ATOM 448 N ILE A 28 -15.378 13.392 3.060 1.00 52.00 N ATOM 449 CA ILE A 28 -15.631 12.053 2.544 1.00 72.44 C ATOM 450 C ILE A 28 -14.439 11.134 2.789 1.00 2.44 C ATOM 451 O ILE A 28 -14.594 10.018 3.283 1.00 15.33 O ATOM 452 CB ILE A 28 -15.941 12.080 1.035 1.00 14.03 C ATOM 453 CG1 ILE A 28 -17.254 12.822 0.776 1.00 74.41 C ATOM 454 CG2 ILE A 28 -16.008 10.664 0.483 1.00 53.24 C ATOM 455 CD1 ILE A 28 -18.479 12.058 1.229 1.00 52.21 C ATOM 0 H ILE A 28 -15.391 14.126 2.352 1.00 52.00 H new ATOM 0 HA ILE A 28 -16.499 11.669 3.079 1.00 72.44 H new ATOM 0 HB ILE A 28 -15.138 12.611 0.523 1.00 14.03 H new ATOM 0 HG12 ILE A 28 -17.226 13.784 1.288 1.00 74.41 H new ATOM 0 HG13 ILE A 28 -17.340 13.031 -0.290 1.00 74.41 H new ATOM 0 HG21 ILE A 28 -16.228 10.699 -0.584 1.00 53.24 H new ATOM 0 HG22 ILE A 28 -15.051 10.167 0.640 1.00 53.24 H new ATOM 0 HG23 ILE A 28 -16.793 10.110 0.997 1.00 53.24 H new ATOM 0 HD11 ILE A 28 -19.373 12.644 1.014 1.00 52.21 H new ATOM 0 HD12 ILE A 28 -18.532 11.107 0.698 1.00 52.21 H new ATOM 0 HD13 ILE A 28 -18.416 11.872 2.301 1.00 52.21 H new ATOM 467 N GLU A 29 -13.248 11.614 2.443 1.00 73.24 N ATOM 468 CA GLU A 29 -12.029 10.836 2.627 1.00 70.51 C ATOM 469 C GLU A 29 -11.763 10.584 4.108 1.00 4.33 C ATOM 470 O GLU A 29 -11.238 9.538 4.487 1.00 43.14 O ATOM 471 CB GLU A 29 -10.836 11.559 1.998 1.00 30.34 C ATOM 472 CG GLU A 29 -10.478 12.861 2.694 1.00 11.14 C ATOM 473 CD GLU A 29 -9.603 12.649 3.915 1.00 52.24 C ATOM 474 OE1 GLU A 29 -8.598 11.917 3.804 1.00 4.25 O ATOM 475 OE2 GLU A 29 -9.925 13.216 4.980 1.00 4.20 O ATOM 0 H GLU A 29 -13.102 12.537 2.034 1.00 73.24 H new ATOM 0 HA GLU A 29 -12.164 9.875 2.131 1.00 70.51 H new ATOM 0 HB2 GLU A 29 -9.970 10.897 2.016 1.00 30.34 H new ATOM 0 HB3 GLU A 29 -11.058 11.765 0.951 1.00 30.34 H new ATOM 0 HG2 GLU A 29 -9.962 13.514 1.991 1.00 11.14 H new ATOM 0 HG3 GLU A 29 -11.393 13.373 2.992 1.00 11.14 H new ATOM 482 N ASN A 30 -12.128 11.553 4.942 1.00 74.12 N ATOM 483 CA ASN A 30 -11.928 11.438 6.382 1.00 52.11 C ATOM 484 C ASN A 30 -12.779 10.312 6.961 1.00 13.34 C ATOM 485 O ASN A 30 -12.266 9.410 7.624 1.00 64.24 O ATOM 486 CB ASN A 30 -12.272 12.759 7.072 1.00 4.55 C ATOM 487 CG ASN A 30 -12.384 12.613 8.578 1.00 43.13 C ATOM 488 OD1 ASN A 30 -11.571 11.938 9.209 1.00 24.02 O ATOM 489 ND2 ASN A 30 -13.395 13.247 9.160 1.00 71.21 N ATOM 0 H ASN A 30 -12.564 12.426 4.645 1.00 74.12 H new ATOM 0 HA ASN A 30 -10.878 11.205 6.561 1.00 52.11 H new ATOM 0 HB2 ASN A 30 -11.506 13.498 6.837 1.00 4.55 H new ATOM 0 HB3 ASN A 30 -13.214 13.138 6.675 1.00 4.55 H new ATOM 0 HD21 ASN A 30 -13.522 13.186 10.170 1.00 71.21 H new ATOM 0 HD22 ASN A 30 -14.045 13.795 8.597 1.00 71.21 H new ATOM 496 N CYS A 31 -14.082 10.372 6.707 1.00 3.12 N ATOM 497 CA CYS A 31 -15.005 9.358 7.204 1.00 60.34 C ATOM 498 C CYS A 31 -14.759 8.017 6.519 1.00 0.13 C ATOM 499 O CYS A 31 -14.723 6.973 7.170 1.00 25.41 O ATOM 500 CB CYS A 31 -16.451 9.801 6.979 1.00 53.11 C ATOM 501 SG CYS A 31 -17.196 10.638 8.398 1.00 30.43 S ATOM 0 H CYS A 31 -14.523 11.112 6.160 1.00 3.12 H new ATOM 0 HA CYS A 31 -14.832 9.237 8.273 1.00 60.34 H new ATOM 0 HB2 CYS A 31 -16.485 10.468 6.118 1.00 53.11 H new ATOM 0 HB3 CYS A 31 -17.053 8.927 6.729 1.00 53.11 H new ATOM 0 HG CYS A 31 -17.357 11.898 8.123 1.00 30.43 H new ATOM 507 N LYS A 32 -14.592 8.053 5.202 1.00 52.24 N ATOM 508 CA LYS A 32 -14.350 6.842 4.427 1.00 70.10 C ATOM 509 C LYS A 32 -13.044 6.178 4.850 1.00 65.22 C ATOM 510 O LYS A 32 -12.897 4.959 4.759 1.00 63.30 O ATOM 511 CB LYS A 32 -14.309 7.167 2.932 1.00 4.42 C ATOM 512 CG LYS A 32 -13.935 5.980 2.061 1.00 12.33 C ATOM 513 CD LYS A 32 -14.874 5.842 0.875 1.00 51.24 C ATOM 514 CE LYS A 32 -14.320 6.540 -0.358 1.00 72.44 C ATOM 515 NZ LYS A 32 -15.282 7.532 -0.914 1.00 31.44 N ATOM 0 H LYS A 32 -14.620 8.909 4.648 1.00 52.24 H new ATOM 0 HA LYS A 32 -15.169 6.148 4.619 1.00 70.10 H new ATOM 0 HB2 LYS A 32 -15.285 7.540 2.623 1.00 4.42 H new ATOM 0 HB3 LYS A 32 -13.592 7.971 2.763 1.00 4.42 H new ATOM 0 HG2 LYS A 32 -12.912 6.097 1.704 1.00 12.33 H new ATOM 0 HG3 LYS A 32 -13.963 5.067 2.656 1.00 12.33 H new ATOM 0 HD2 LYS A 32 -15.033 4.786 0.656 1.00 51.24 H new ATOM 0 HD3 LYS A 32 -15.846 6.265 1.128 1.00 51.24 H new ATOM 0 HE2 LYS A 32 -13.387 7.043 -0.102 1.00 72.44 H new ATOM 0 HE3 LYS A 32 -14.083 5.797 -1.120 1.00 72.44 H new ATOM 0 HZ1 LYS A 32 -14.784 8.169 -1.568 1.00 31.44 H new ATOM 0 HZ2 LYS A 32 -16.039 7.033 -1.424 1.00 31.44 H new ATOM 0 HZ3 LYS A 32 -15.696 8.087 -0.138 1.00 31.44 H new ATOM 529 N LYS A 33 -12.097 6.987 5.313 1.00 20.35 N ATOM 530 CA LYS A 33 -10.803 6.478 5.753 1.00 12.24 C ATOM 531 C LYS A 33 -10.971 5.473 6.888 1.00 11.15 C ATOM 532 O LYS A 33 -10.071 4.680 7.166 1.00 73.01 O ATOM 533 CB LYS A 33 -9.906 7.632 6.208 1.00 34.11 C ATOM 534 CG LYS A 33 -8.860 8.030 5.182 1.00 62.43 C ATOM 535 CD LYS A 33 -8.266 9.394 5.491 1.00 60.34 C ATOM 536 CE LYS A 33 -7.009 9.653 4.674 1.00 75.45 C ATOM 537 NZ LYS A 33 -5.896 8.745 5.066 1.00 2.21 N ATOM 0 H LYS A 33 -12.201 7.998 5.393 1.00 20.35 H new ATOM 0 HA LYS A 33 -10.334 5.972 4.909 1.00 12.24 H new ATOM 0 HB2 LYS A 33 -10.529 8.498 6.434 1.00 34.11 H new ATOM 0 HB3 LYS A 33 -9.405 7.349 7.134 1.00 34.11 H new ATOM 0 HG2 LYS A 33 -8.067 7.283 5.161 1.00 62.43 H new ATOM 0 HG3 LYS A 33 -9.310 8.045 4.189 1.00 62.43 H new ATOM 0 HD2 LYS A 33 -9.003 10.169 5.282 1.00 60.34 H new ATOM 0 HD3 LYS A 33 -8.030 9.457 6.553 1.00 60.34 H new ATOM 0 HE2 LYS A 33 -7.230 9.520 3.615 1.00 75.45 H new ATOM 0 HE3 LYS A 33 -6.697 10.689 4.807 1.00 75.45 H new ATOM 0 HZ1 LYS A 33 -4.991 9.151 4.755 1.00 2.21 H new ATOM 0 HZ2 LYS A 33 -5.888 8.632 6.100 1.00 2.21 H new ATOM 0 HZ3 LYS A 33 -6.031 7.817 4.617 1.00 2.21 H new ATOM 551 N ARG A 34 -12.129 5.511 7.540 1.00 4.43 N ATOM 552 CA ARG A 34 -12.414 4.604 8.645 1.00 62.41 C ATOM 553 C ARG A 34 -12.791 3.219 8.127 1.00 70.31 C ATOM 554 O ARG A 34 -13.009 2.292 8.906 1.00 0.11 O ATOM 555 CB ARG A 34 -13.544 5.161 9.512 1.00 31.31 C ATOM 556 CG ARG A 34 -13.172 5.304 10.979 1.00 74.01 C ATOM 557 CD ARG A 34 -13.754 6.574 11.579 1.00 4.44 C ATOM 558 NE ARG A 34 -13.851 6.497 13.035 1.00 52.25 N ATOM 559 CZ ARG A 34 -14.817 5.846 13.673 1.00 53.03 C ATOM 560 NH1 ARG A 34 -15.763 5.219 12.988 1.00 72.35 N ATOM 561 NH2 ARG A 34 -14.838 5.821 14.999 1.00 11.12 N ATOM 0 H ARG A 34 -12.885 6.160 7.322 1.00 4.43 H new ATOM 0 HA ARG A 34 -11.512 4.514 9.250 1.00 62.41 H new ATOM 0 HB2 ARG A 34 -13.841 6.136 9.125 1.00 31.31 H new ATOM 0 HB3 ARG A 34 -14.412 4.506 9.428 1.00 31.31 H new ATOM 0 HG2 ARG A 34 -13.535 4.439 11.534 1.00 74.01 H new ATOM 0 HG3 ARG A 34 -12.087 5.316 11.081 1.00 74.01 H new ATOM 0 HD2 ARG A 34 -13.131 7.424 11.302 1.00 4.44 H new ATOM 0 HD3 ARG A 34 -14.744 6.753 11.159 1.00 4.44 H new ATOM 0 HE ARG A 34 -13.138 6.969 13.592 1.00 52.25 H new ATOM 0 HH11 ARG A 34 -15.750 5.236 11.968 1.00 72.35 H new ATOM 0 HH12 ARG A 34 -16.504 4.720 13.481 1.00 72.35 H new ATOM 0 HH21 ARG A 34 -14.112 6.302 15.530 1.00 11.12 H new ATOM 0 HH22 ARG A 34 -15.580 5.321 15.488 1.00 11.12 H new ATOM 575 N ASN A 35 -12.866 3.087 6.807 1.00 74.25 N ATOM 576 CA ASN A 35 -13.218 1.816 6.184 1.00 35.43 C ATOM 577 C ASN A 35 -12.258 1.482 5.047 1.00 41.32 C ATOM 578 O ASN A 35 -11.665 0.405 5.018 1.00 63.53 O ATOM 579 CB ASN A 35 -14.654 1.862 5.657 1.00 11.24 C ATOM 580 CG ASN A 35 -15.630 1.152 6.575 1.00 32.22 C ATOM 581 OD1 ASN A 35 -16.479 1.783 7.205 1.00 3.13 O ATOM 582 ND2 ASN A 35 -15.513 -0.169 6.655 1.00 54.44 N ATOM 0 H ASN A 35 -12.688 3.845 6.148 1.00 74.25 H new ATOM 0 HA ASN A 35 -13.141 1.036 6.941 1.00 35.43 H new ATOM 0 HB2 ASN A 35 -14.961 2.901 5.538 1.00 11.24 H new ATOM 0 HB3 ASN A 35 -14.690 1.404 4.669 1.00 11.24 H new ATOM 0 HD21 ASN A 35 -16.142 -0.701 7.257 1.00 54.44 H new ATOM 0 HD22 ASN A 35 -14.795 -0.651 6.115 1.00 54.44 H new ATOM 589 N MET A 36 -12.110 2.415 4.112 1.00 2.51 N ATOM 590 CA MET A 36 -11.220 2.221 2.973 1.00 2.43 C ATOM 591 C MET A 36 -10.361 3.460 2.737 1.00 21.34 C ATOM 592 O MET A 36 -10.590 4.236 1.810 1.00 71.14 O ATOM 593 CB MET A 36 -12.029 1.900 1.715 1.00 10.42 C ATOM 594 CG MET A 36 -11.168 1.587 0.502 1.00 0.43 C ATOM 595 SD MET A 36 -12.131 0.974 -0.894 1.00 1.55 S ATOM 596 CE MET A 36 -11.036 -0.292 -1.530 1.00 60.01 C ATOM 0 H MET A 36 -12.595 3.312 4.121 1.00 2.51 H new ATOM 0 HA MET A 36 -10.562 1.381 3.197 1.00 2.43 H new ATOM 0 HB2 MET A 36 -12.679 1.049 1.918 1.00 10.42 H new ATOM 0 HB3 MET A 36 -12.675 2.746 1.483 1.00 10.42 H new ATOM 0 HG2 MET A 36 -10.631 2.486 0.201 1.00 0.43 H new ATOM 0 HG3 MET A 36 -10.418 0.844 0.775 1.00 0.43 H new ATOM 0 HE1 MET A 36 -11.493 -0.765 -2.399 1.00 60.01 H new ATOM 0 HE2 MET A 36 -10.087 0.160 -1.820 1.00 60.01 H new ATOM 0 HE3 MET A 36 -10.860 -1.042 -0.759 1.00 60.01 H new ATOM 606 N PRO A 37 -9.348 3.651 3.596 1.00 71.13 N ATOM 607 CA PRO A 37 -8.435 4.794 3.500 1.00 23.54 C ATOM 608 C PRO A 37 -7.517 4.703 2.286 1.00 74.33 C ATOM 609 O PRO A 37 -7.308 3.622 1.732 1.00 10.34 O ATOM 610 CB PRO A 37 -7.620 4.705 4.793 1.00 12.34 C ATOM 611 CG PRO A 37 -7.672 3.267 5.176 1.00 20.53 C ATOM 612 CD PRO A 37 -9.016 2.766 4.725 1.00 52.00 C ATOM 0 HA PRO A 37 -8.972 5.735 3.381 1.00 23.54 H new ATOM 0 HB2 PRO A 37 -6.593 5.036 4.637 1.00 12.34 H new ATOM 0 HB3 PRO A 37 -8.044 5.338 5.573 1.00 12.34 H new ATOM 0 HG2 PRO A 37 -6.867 2.707 4.700 1.00 20.53 H new ATOM 0 HG3 PRO A 37 -7.551 3.145 6.252 1.00 20.53 H new ATOM 0 HD2 PRO A 37 -8.973 1.721 4.418 1.00 52.00 H new ATOM 0 HD3 PRO A 37 -9.758 2.834 5.521 1.00 52.00 H new ATOM 620 N LEU A 38 -6.972 5.842 1.875 1.00 12.55 N ATOM 621 CA LEU A 38 -6.076 5.892 0.726 1.00 61.44 C ATOM 622 C LEU A 38 -4.630 6.085 1.170 1.00 24.43 C ATOM 623 O LEU A 38 -4.322 6.015 2.360 1.00 72.32 O ATOM 624 CB LEU A 38 -6.487 7.023 -0.218 1.00 44.22 C ATOM 625 CG LEU A 38 -6.982 6.598 -1.601 1.00 23.31 C ATOM 626 CD1 LEU A 38 -5.926 5.766 -2.313 1.00 51.43 C ATOM 627 CD2 LEU A 38 -8.286 5.822 -1.485 1.00 24.31 C ATOM 0 H LEU A 38 -7.135 6.745 2.321 1.00 12.55 H new ATOM 0 HA LEU A 38 -6.150 4.941 0.198 1.00 61.44 H new ATOM 0 HB2 LEU A 38 -7.273 7.604 0.264 1.00 44.22 H new ATOM 0 HB3 LEU A 38 -5.634 7.688 -0.348 1.00 44.22 H new ATOM 0 HG LEU A 38 -7.167 7.495 -2.191 1.00 23.31 H new ATOM 0 HD11 LEU A 38 -6.296 5.472 -3.296 1.00 51.43 H new ATOM 0 HD12 LEU A 38 -5.016 6.355 -2.429 1.00 51.43 H new ATOM 0 HD13 LEU A 38 -5.709 4.874 -1.726 1.00 51.43 H new ATOM 0 HD21 LEU A 38 -8.624 5.527 -2.479 1.00 24.31 H new ATOM 0 HD22 LEU A 38 -8.127 4.931 -0.877 1.00 24.31 H new ATOM 0 HD23 LEU A 38 -9.043 6.451 -1.016 1.00 24.31 H new ATOM 639 N GLN A 39 -3.747 6.330 0.207 1.00 74.41 N ATOM 640 CA GLN A 39 -2.334 6.534 0.500 1.00 2.43 C ATOM 641 C GLN A 39 -2.103 7.899 1.140 1.00 1.41 C ATOM 642 O GLN A 39 -1.313 8.032 2.074 1.00 4.25 O ATOM 643 CB GLN A 39 -1.503 6.410 -0.778 1.00 23.22 C ATOM 644 CG GLN A 39 -1.083 4.983 -1.094 1.00 4.43 C ATOM 645 CD GLN A 39 -2.201 3.984 -0.876 1.00 32.33 C ATOM 646 OE1 GLN A 39 -2.404 3.494 0.236 1.00 52.31 O ATOM 647 NE2 GLN A 39 -2.935 3.675 -1.939 1.00 22.35 N ATOM 0 H GLN A 39 -3.986 6.392 -0.783 1.00 74.41 H new ATOM 0 HA GLN A 39 -2.020 5.764 1.205 1.00 2.43 H new ATOM 0 HB2 GLN A 39 -2.078 6.805 -1.615 1.00 23.22 H new ATOM 0 HB3 GLN A 39 -0.611 7.030 -0.684 1.00 23.22 H new ATOM 0 HG2 GLN A 39 -0.748 4.928 -2.130 1.00 4.43 H new ATOM 0 HG3 GLN A 39 -0.232 4.712 -0.469 1.00 4.43 H new ATOM 0 HE21 GLN A 39 -2.732 4.105 -2.841 1.00 22.35 H new ATOM 0 HE22 GLN A 39 -3.702 3.008 -1.853 1.00 22.35 H new ATOM 656 N SER A 40 -2.797 8.912 0.630 1.00 34.43 N ATOM 657 CA SER A 40 -2.665 10.268 1.149 1.00 22.22 C ATOM 658 C SER A 40 -3.842 11.134 0.712 1.00 43.54 C ATOM 659 O SER A 40 -4.737 11.430 1.504 1.00 73.45 O ATOM 660 CB SER A 40 -1.352 10.893 0.673 1.00 21.42 C ATOM 661 OG SER A 40 -1.334 12.289 0.916 1.00 61.41 O ATOM 0 H SER A 40 -3.457 8.819 -0.142 1.00 34.43 H new ATOM 0 HA SER A 40 -2.660 10.215 2.238 1.00 22.22 H new ATOM 0 HB2 SER A 40 -0.514 10.421 1.186 1.00 21.42 H new ATOM 0 HB3 SER A 40 -1.221 10.704 -0.393 1.00 21.42 H new ATOM 0 HG SER A 40 -0.484 12.664 0.605 1.00 61.41 H new ATOM 667 N ILE A 41 -3.832 11.539 -0.554 1.00 71.31 N ATOM 668 CA ILE A 41 -4.898 12.370 -1.098 1.00 15.30 C ATOM 669 C ILE A 41 -5.720 11.605 -2.130 1.00 12.31 C ATOM 670 O ILE A 41 -5.352 11.501 -3.300 1.00 43.20 O ATOM 671 CB ILE A 41 -4.339 13.649 -1.749 1.00 63.33 C ATOM 672 CG1 ILE A 41 -3.174 13.305 -2.680 1.00 3.12 C ATOM 673 CG2 ILE A 41 -3.897 14.638 -0.681 1.00 24.40 C ATOM 674 CD1 ILE A 41 -3.191 14.078 -3.980 1.00 61.53 C ATOM 0 H ILE A 41 -3.097 11.305 -1.222 1.00 71.31 H new ATOM 0 HA ILE A 41 -5.538 12.648 -0.261 1.00 15.30 H new ATOM 0 HB ILE A 41 -5.128 14.113 -2.341 1.00 63.33 H new ATOM 0 HG12 ILE A 41 -2.235 13.502 -2.162 1.00 3.12 H new ATOM 0 HG13 ILE A 41 -3.199 12.238 -2.901 1.00 3.12 H new ATOM 0 HG21 ILE A 41 -3.504 15.536 -1.157 1.00 24.40 H new ATOM 0 HG22 ILE A 41 -4.749 14.902 -0.055 1.00 24.40 H new ATOM 0 HG23 ILE A 41 -3.120 14.185 -0.065 1.00 24.40 H new ATOM 0 HD11 ILE A 41 -2.337 13.783 -4.590 1.00 61.53 H new ATOM 0 HD12 ILE A 41 -4.113 13.863 -4.519 1.00 61.53 H new ATOM 0 HD13 ILE A 41 -3.135 15.146 -3.769 1.00 61.53 H new ATOM 686 N PRO A 42 -6.862 11.058 -1.689 1.00 34.22 N ATOM 687 CA PRO A 42 -7.762 10.295 -2.559 1.00 31.42 C ATOM 688 C PRO A 42 -8.467 11.178 -3.582 1.00 45.44 C ATOM 689 O PRO A 42 -9.306 12.005 -3.228 1.00 11.20 O ATOM 690 CB PRO A 42 -8.777 9.695 -1.582 1.00 5.23 C ATOM 691 CG PRO A 42 -8.770 10.620 -0.414 1.00 50.40 C ATOM 692 CD PRO A 42 -7.364 11.142 -0.307 1.00 2.02 C ATOM 0 HA PRO A 42 -7.225 9.551 -3.148 1.00 31.42 H new ATOM 0 HB2 PRO A 42 -9.768 9.631 -2.031 1.00 5.23 H new ATOM 0 HB3 PRO A 42 -8.494 8.684 -1.288 1.00 5.23 H new ATOM 0 HG2 PRO A 42 -9.479 11.435 -0.558 1.00 50.40 H new ATOM 0 HG3 PRO A 42 -9.063 10.100 0.498 1.00 50.40 H new ATOM 0 HD2 PRO A 42 -7.343 12.166 0.066 1.00 2.02 H new ATOM 0 HD3 PRO A 42 -6.763 10.541 0.376 1.00 2.02 H new ATOM 700 N GLU A 43 -8.119 10.997 -4.853 1.00 11.42 N ATOM 701 CA GLU A 43 -8.719 11.780 -5.927 1.00 71.21 C ATOM 702 C GLU A 43 -8.710 11.000 -7.239 1.00 32.34 C ATOM 703 O GLU A 43 -7.753 10.288 -7.543 1.00 22.42 O ATOM 704 CB GLU A 43 -7.972 13.103 -6.103 1.00 5.20 C ATOM 705 CG GLU A 43 -8.823 14.208 -6.706 1.00 70.31 C ATOM 706 CD GLU A 43 -8.911 15.430 -5.813 1.00 31.00 C ATOM 707 OE1 GLU A 43 -8.030 16.308 -5.920 1.00 53.50 O ATOM 708 OE2 GLU A 43 -9.862 15.508 -5.007 1.00 21.42 O ATOM 0 H GLU A 43 -7.426 10.316 -5.163 1.00 11.42 H new ATOM 0 HA GLU A 43 -9.754 11.989 -5.655 1.00 71.21 H new ATOM 0 HB2 GLU A 43 -7.599 13.432 -5.133 1.00 5.20 H new ATOM 0 HB3 GLU A 43 -7.103 12.938 -6.739 1.00 5.20 H new ATOM 0 HG2 GLU A 43 -8.406 14.497 -7.671 1.00 70.31 H new ATOM 0 HG3 GLU A 43 -9.827 13.827 -6.894 1.00 70.31 H new ATOM 715 N ILE A 44 -9.783 11.139 -8.010 1.00 42.43 N ATOM 716 CA ILE A 44 -9.899 10.449 -9.289 1.00 25.23 C ATOM 717 C ILE A 44 -10.860 11.177 -10.222 1.00 3.21 C ATOM 718 O ILE A 44 -12.032 11.366 -9.899 1.00 62.31 O ATOM 719 CB ILE A 44 -10.381 8.998 -9.103 1.00 53.13 C ATOM 720 CG1 ILE A 44 -10.543 8.314 -10.462 1.00 71.32 C ATOM 721 CG2 ILE A 44 -11.692 8.971 -8.331 1.00 23.41 C ATOM 722 CD1 ILE A 44 -9.266 8.268 -11.272 1.00 12.52 C ATOM 0 H ILE A 44 -10.584 11.723 -7.771 1.00 42.43 H new ATOM 0 HA ILE A 44 -8.904 10.439 -9.734 1.00 25.23 H new ATOM 0 HB ILE A 44 -9.632 8.452 -8.529 1.00 53.13 H new ATOM 0 HG12 ILE A 44 -10.902 7.297 -10.307 1.00 71.32 H new ATOM 0 HG13 ILE A 44 -11.308 8.838 -11.035 1.00 71.32 H new ATOM 0 HG21 ILE A 44 -12.020 7.939 -8.207 1.00 23.41 H new ATOM 0 HG22 ILE A 44 -11.547 9.425 -7.351 1.00 23.41 H new ATOM 0 HG23 ILE A 44 -12.450 9.529 -8.881 1.00 23.41 H new ATOM 0 HD11 ILE A 44 -9.456 7.769 -12.223 1.00 12.52 H new ATOM 0 HD12 ILE A 44 -8.917 9.284 -11.458 1.00 12.52 H new ATOM 0 HD13 ILE A 44 -8.504 7.718 -10.720 1.00 12.52 H new ATOM 734 N GLY A 45 -10.355 11.584 -11.383 1.00 70.51 N ATOM 735 CA GLY A 45 -11.183 12.285 -12.347 1.00 3.22 C ATOM 736 C GLY A 45 -10.967 13.785 -12.313 1.00 42.21 C ATOM 737 O GLY A 45 -10.207 14.328 -13.114 1.00 72.44 O ATOM 0 H GLY A 45 -9.388 11.441 -11.673 1.00 70.51 H new ATOM 0 HA2 GLY A 45 -10.965 11.912 -13.348 1.00 3.22 H new ATOM 0 HA3 GLY A 45 -12.232 12.067 -12.147 1.00 3.22 H new ATOM 741 N ASN A 46 -11.638 14.457 -11.384 1.00 12.43 N ATOM 742 CA ASN A 46 -11.518 15.905 -11.250 1.00 64.34 C ATOM 743 C ASN A 46 -12.394 16.421 -10.113 1.00 42.12 C ATOM 744 O ASN A 46 -12.972 17.504 -10.204 1.00 74.03 O ATOM 745 CB ASN A 46 -11.906 16.593 -12.561 1.00 23.51 C ATOM 746 CG ASN A 46 -10.929 17.685 -12.952 1.00 31.22 C ATOM 747 OD1 ASN A 46 -9.721 17.457 -13.021 1.00 12.21 O ATOM 748 ND2 ASN A 46 -11.449 18.879 -13.210 1.00 15.15 N ATOM 0 H ASN A 46 -12.271 14.023 -10.712 1.00 12.43 H new ATOM 0 HA ASN A 46 -10.479 16.139 -11.018 1.00 64.34 H new ATOM 0 HB2 ASN A 46 -11.954 15.850 -13.357 1.00 23.51 H new ATOM 0 HB3 ASN A 46 -12.904 17.020 -12.462 1.00 23.51 H new ATOM 0 HD21 ASN A 46 -10.841 19.653 -13.478 1.00 15.15 H new ATOM 0 HD22 ASN A 46 -12.456 19.022 -13.140 1.00 15.15 H new ATOM 755 N ARG A 47 -12.486 15.639 -9.043 1.00 1.14 N ATOM 756 CA ARG A 47 -13.292 16.017 -7.888 1.00 24.23 C ATOM 757 C ARG A 47 -14.764 16.138 -8.268 1.00 52.54 C ATOM 758 O ARG A 47 -15.169 17.094 -8.931 1.00 44.10 O ATOM 759 CB ARG A 47 -12.794 17.340 -7.303 1.00 30.24 C ATOM 760 CG ARG A 47 -11.310 17.341 -6.976 1.00 45.43 C ATOM 761 CD ARG A 47 -10.645 18.637 -7.413 1.00 4.51 C ATOM 762 NE ARG A 47 -10.224 18.593 -8.811 1.00 13.12 N ATOM 763 CZ ARG A 47 -10.011 19.677 -9.549 1.00 34.21 C ATOM 764 NH1 ARG A 47 -10.178 20.883 -9.025 1.00 11.22 N ATOM 765 NH2 ARG A 47 -9.630 19.555 -10.814 1.00 73.01 N ATOM 0 H ARG A 47 -12.013 14.740 -8.951 1.00 1.14 H new ATOM 0 HA ARG A 47 -13.193 15.235 -7.135 1.00 24.23 H new ATOM 0 HB2 ARG A 47 -13.002 18.142 -8.011 1.00 30.24 H new ATOM 0 HB3 ARG A 47 -13.357 17.562 -6.397 1.00 30.24 H new ATOM 0 HG2 ARG A 47 -11.172 17.204 -5.903 1.00 45.43 H new ATOM 0 HG3 ARG A 47 -10.827 16.498 -7.470 1.00 45.43 H new ATOM 0 HD2 ARG A 47 -11.338 19.466 -7.269 1.00 4.51 H new ATOM 0 HD3 ARG A 47 -9.779 18.831 -6.780 1.00 4.51 H new ATOM 0 HE ARG A 47 -10.086 17.680 -9.244 1.00 13.12 H new ATOM 0 HH11 ARG A 47 -10.471 20.981 -8.053 1.00 11.22 H new ATOM 0 HH12 ARG A 47 -10.014 21.713 -9.594 1.00 11.22 H new ATOM 0 HH21 ARG A 47 -9.500 18.629 -11.221 1.00 73.01 H new ATOM 0 HH22 ARG A 47 -9.467 20.388 -11.380 1.00 73.01 H new ATOM 779 N LYS A 48 -15.562 15.164 -7.846 1.00 22.44 N ATOM 780 CA LYS A 48 -16.990 15.160 -8.141 1.00 3.44 C ATOM 781 C LYS A 48 -17.784 14.568 -6.980 1.00 43.55 C ATOM 782 O LYS A 48 -18.961 14.238 -7.127 1.00 2.13 O ATOM 783 CB LYS A 48 -17.265 14.366 -9.419 1.00 74.21 C ATOM 784 CG LYS A 48 -16.818 15.076 -10.685 1.00 55.21 C ATOM 785 CD LYS A 48 -16.653 14.104 -11.841 1.00 45.11 C ATOM 786 CE LYS A 48 -15.777 14.688 -12.939 1.00 54.44 C ATOM 787 NZ LYS A 48 -14.458 14.003 -13.021 1.00 2.14 N ATOM 0 H LYS A 48 -15.244 14.365 -7.297 1.00 22.44 H new ATOM 0 HA LYS A 48 -17.309 16.192 -8.287 1.00 3.44 H new ATOM 0 HB2 LYS A 48 -16.758 13.403 -9.354 1.00 74.21 H new ATOM 0 HB3 LYS A 48 -18.333 14.160 -9.486 1.00 74.21 H new ATOM 0 HG2 LYS A 48 -17.548 15.840 -10.952 1.00 55.21 H new ATOM 0 HG3 LYS A 48 -15.874 15.588 -10.502 1.00 55.21 H new ATOM 0 HD2 LYS A 48 -16.212 13.176 -11.477 1.00 45.11 H new ATOM 0 HD3 LYS A 48 -17.632 13.853 -12.250 1.00 45.11 H new ATOM 0 HE2 LYS A 48 -16.290 14.603 -13.897 1.00 54.44 H new ATOM 0 HE3 LYS A 48 -15.623 15.751 -12.754 1.00 54.44 H new ATOM 0 HZ1 LYS A 48 -13.825 14.542 -13.645 1.00 2.14 H new ATOM 0 HZ2 LYS A 48 -14.039 13.943 -12.071 1.00 2.14 H new ATOM 0 HZ3 LYS A 48 -14.588 13.045 -13.404 1.00 2.14 H new ATOM 801 N ILE A 49 -17.133 14.439 -5.829 1.00 61.13 N ATOM 802 CA ILE A 49 -17.780 13.889 -4.644 1.00 42.43 C ATOM 803 C ILE A 49 -18.507 14.977 -3.861 1.00 3.04 C ATOM 804 O ILE A 49 -19.189 14.696 -2.876 1.00 45.10 O ATOM 805 CB ILE A 49 -16.763 13.197 -3.718 1.00 1.34 C ATOM 806 CG1 ILE A 49 -15.722 12.439 -4.543 1.00 63.32 C ATOM 807 CG2 ILE A 49 -17.476 12.255 -2.759 1.00 4.10 C ATOM 808 CD1 ILE A 49 -14.431 13.203 -4.738 1.00 11.22 C ATOM 0 H ILE A 49 -16.159 14.708 -5.692 1.00 61.13 H new ATOM 0 HA ILE A 49 -18.503 13.151 -4.992 1.00 42.43 H new ATOM 0 HB ILE A 49 -16.249 13.960 -3.133 1.00 1.34 H new ATOM 0 HG12 ILE A 49 -15.503 11.490 -4.053 1.00 63.32 H new ATOM 0 HG13 ILE A 49 -16.146 12.203 -5.519 1.00 63.32 H new ATOM 0 HG21 ILE A 49 -16.744 11.773 -2.111 1.00 4.10 H new ATOM 0 HG22 ILE A 49 -18.182 12.821 -2.151 1.00 4.10 H new ATOM 0 HG23 ILE A 49 -18.013 11.496 -3.327 1.00 4.10 H new ATOM 0 HD11 ILE A 49 -13.740 12.605 -5.332 1.00 11.22 H new ATOM 0 HD12 ILE A 49 -14.637 14.140 -5.256 1.00 11.22 H new ATOM 0 HD13 ILE A 49 -13.984 13.416 -3.767 1.00 11.22 H new ATOM 820 N ASN A 50 -18.357 16.220 -4.306 1.00 51.23 N ATOM 821 CA ASN A 50 -19.001 17.351 -3.647 1.00 45.04 C ATOM 822 C ASN A 50 -20.495 17.382 -3.955 1.00 64.31 C ATOM 823 O ASN A 50 -20.936 16.892 -4.996 1.00 24.45 O ATOM 824 CB ASN A 50 -18.350 18.663 -4.090 1.00 13.41 C ATOM 825 CG ASN A 50 -18.945 19.869 -3.388 1.00 32.10 C ATOM 826 OD1 ASN A 50 -19.375 19.782 -2.238 1.00 30.23 O ATOM 827 ND2 ASN A 50 -18.973 21.002 -4.080 1.00 3.13 N ATOM 0 H ASN A 50 -17.795 16.470 -5.120 1.00 51.23 H new ATOM 0 HA ASN A 50 -18.873 17.234 -2.571 1.00 45.04 H new ATOM 0 HB2 ASN A 50 -17.280 18.620 -3.889 1.00 13.41 H new ATOM 0 HB3 ASN A 50 -18.468 18.778 -5.167 1.00 13.41 H new ATOM 0 HD21 ASN A 50 -19.362 21.846 -3.661 1.00 3.13 H new ATOM 0 HD22 ASN A 50 -18.605 21.028 -5.031 1.00 3.13 H new ATOM 834 N LEU A 51 -21.269 17.961 -3.044 1.00 63.01 N ATOM 835 CA LEU A 51 -22.714 18.057 -3.218 1.00 20.14 C ATOM 836 C LEU A 51 -23.067 19.077 -4.295 1.00 45.31 C ATOM 837 O LEU A 51 -24.158 19.044 -4.863 1.00 72.45 O ATOM 838 CB LEU A 51 -23.382 18.442 -1.896 1.00 45.23 C ATOM 839 CG LEU A 51 -24.906 18.325 -1.855 1.00 44.32 C ATOM 840 CD1 LEU A 51 -25.335 16.877 -2.031 1.00 42.04 C ATOM 841 CD2 LEU A 51 -25.449 18.890 -0.550 1.00 62.55 C ATOM 0 H LEU A 51 -20.920 18.371 -2.178 1.00 63.01 H new ATOM 0 HA LEU A 51 -23.082 17.081 -3.534 1.00 20.14 H new ATOM 0 HB2 LEU A 51 -22.968 17.815 -1.107 1.00 45.23 H new ATOM 0 HB3 LEU A 51 -23.110 19.471 -1.661 1.00 45.23 H new ATOM 0 HG LEU A 51 -25.319 18.907 -2.679 1.00 44.32 H new ATOM 0 HD11 LEU A 51 -26.423 16.813 -1.999 1.00 42.04 H new ATOM 0 HD12 LEU A 51 -24.978 16.506 -2.992 1.00 42.04 H new ATOM 0 HD13 LEU A 51 -24.912 16.272 -1.229 1.00 42.04 H new ATOM 0 HD21 LEU A 51 -26.535 18.799 -0.538 1.00 62.55 H new ATOM 0 HD22 LEU A 51 -25.029 18.336 0.289 1.00 62.55 H new ATOM 0 HD23 LEU A 51 -25.172 19.941 -0.466 1.00 62.55 H new ATOM 853 N PHE A 52 -22.134 19.983 -4.573 1.00 34.11 N ATOM 854 CA PHE A 52 -22.346 21.013 -5.583 1.00 60.45 C ATOM 855 C PHE A 52 -21.735 20.598 -6.919 1.00 34.31 C ATOM 856 O PHE A 52 -22.273 20.907 -7.983 1.00 2.14 O ATOM 857 CB PHE A 52 -21.741 22.340 -5.124 1.00 4.53 C ATOM 858 CG PHE A 52 -22.736 23.464 -5.063 1.00 24.11 C ATOM 859 CD1 PHE A 52 -23.064 24.178 -6.204 1.00 13.22 C ATOM 860 CD2 PHE A 52 -23.343 23.805 -3.865 1.00 42.22 C ATOM 861 CE1 PHE A 52 -23.979 25.213 -6.150 1.00 70.13 C ATOM 862 CE2 PHE A 52 -24.259 24.839 -3.806 1.00 23.23 C ATOM 863 CZ PHE A 52 -24.578 25.543 -4.950 1.00 61.21 C ATOM 0 H PHE A 52 -21.225 20.024 -4.113 1.00 34.11 H new ATOM 0 HA PHE A 52 -23.420 21.139 -5.717 1.00 60.45 H new ATOM 0 HB2 PHE A 52 -21.296 22.205 -4.138 1.00 4.53 H new ATOM 0 HB3 PHE A 52 -20.934 22.616 -5.803 1.00 4.53 H new ATOM 0 HD1 PHE A 52 -22.600 23.923 -7.145 1.00 13.22 H new ATOM 0 HD2 PHE A 52 -23.098 23.257 -2.967 1.00 42.22 H new ATOM 0 HE1 PHE A 52 -24.225 25.763 -7.046 1.00 70.13 H new ATOM 0 HE2 PHE A 52 -24.725 25.096 -2.866 1.00 23.23 H new ATOM 0 HZ PHE A 52 -25.294 26.350 -4.907 1.00 61.21 H new ATOM 873 N TYR A 53 -20.609 19.896 -6.855 1.00 13.11 N ATOM 874 CA TYR A 53 -19.923 19.441 -8.058 1.00 61.11 C ATOM 875 C TYR A 53 -20.681 18.292 -8.716 1.00 21.21 C ATOM 876 O TYR A 53 -20.900 18.290 -9.928 1.00 61.10 O ATOM 877 CB TYR A 53 -18.498 19.000 -7.721 1.00 65.25 C ATOM 878 CG TYR A 53 -17.542 19.095 -8.890 1.00 13.23 C ATOM 879 CD1 TYR A 53 -17.635 18.216 -9.962 1.00 14.22 C ATOM 880 CD2 TYR A 53 -16.546 20.063 -8.921 1.00 54.41 C ATOM 881 CE1 TYR A 53 -16.765 18.299 -11.031 1.00 65.00 C ATOM 882 CE2 TYR A 53 -15.672 20.155 -9.987 1.00 32.43 C ATOM 883 CZ TYR A 53 -15.785 19.270 -11.039 1.00 51.11 C ATOM 884 OH TYR A 53 -14.915 19.357 -12.102 1.00 32.31 O ATOM 0 H TYR A 53 -20.152 19.630 -5.983 1.00 13.11 H new ATOM 0 HA TYR A 53 -19.882 20.274 -8.760 1.00 61.11 H new ATOM 0 HB2 TYR A 53 -18.121 19.614 -6.903 1.00 65.25 H new ATOM 0 HB3 TYR A 53 -18.520 17.971 -7.363 1.00 65.25 H new ATOM 0 HD1 TYR A 53 -18.401 17.455 -9.959 1.00 14.22 H new ATOM 0 HD2 TYR A 53 -16.453 20.756 -8.098 1.00 54.41 H new ATOM 0 HE1 TYR A 53 -16.851 17.608 -11.856 1.00 65.00 H new ATOM 0 HE2 TYR A 53 -14.905 20.915 -9.997 1.00 32.43 H new ATOM 0 HH TYR A 53 -14.287 20.095 -11.952 1.00 32.31 H new ATOM 894 N LEU A 54 -21.080 17.316 -7.908 1.00 23.22 N ATOM 895 CA LEU A 54 -21.815 16.160 -8.409 1.00 65.43 C ATOM 896 C LEU A 54 -23.163 16.579 -8.985 1.00 40.45 C ATOM 897 O LEU A 54 -23.682 15.945 -9.904 1.00 65.14 O ATOM 898 CB LEU A 54 -22.021 15.137 -7.290 1.00 53.42 C ATOM 899 CG LEU A 54 -22.443 13.735 -7.731 1.00 53.43 C ATOM 900 CD1 LEU A 54 -21.286 13.018 -8.410 1.00 14.44 C ATOM 901 CD2 LEU A 54 -22.948 12.931 -6.542 1.00 3.41 C ATOM 0 H LEU A 54 -20.907 17.302 -6.903 1.00 23.22 H new ATOM 0 HA LEU A 54 -21.227 15.704 -9.205 1.00 65.43 H new ATOM 0 HB2 LEU A 54 -21.092 15.054 -6.725 1.00 53.42 H new ATOM 0 HB3 LEU A 54 -22.777 15.524 -6.606 1.00 53.42 H new ATOM 0 HG LEU A 54 -23.256 13.831 -8.450 1.00 53.43 H new ATOM 0 HD11 LEU A 54 -21.605 12.022 -8.717 1.00 14.44 H new ATOM 0 HD12 LEU A 54 -20.971 13.584 -9.286 1.00 14.44 H new ATOM 0 HD13 LEU A 54 -20.452 12.933 -7.714 1.00 14.44 H new ATOM 0 HD21 LEU A 54 -23.244 11.936 -6.875 1.00 3.41 H new ATOM 0 HD22 LEU A 54 -22.156 12.844 -5.799 1.00 3.41 H new ATOM 0 HD23 LEU A 54 -23.807 13.436 -6.100 1.00 3.41 H new ATOM 913 N TYR A 55 -23.724 17.653 -8.441 1.00 55.11 N ATOM 914 CA TYR A 55 -25.013 18.158 -8.901 1.00 2.02 C ATOM 915 C TYR A 55 -24.863 18.917 -10.216 1.00 3.14 C ATOM 916 O TYR A 55 -25.580 18.657 -11.181 1.00 33.42 O ATOM 917 CB TYR A 55 -25.635 19.069 -7.841 1.00 43.11 C ATOM 918 CG TYR A 55 -26.710 18.395 -7.019 1.00 3.33 C ATOM 919 CD1 TYR A 55 -26.391 17.397 -6.107 1.00 32.23 C ATOM 920 CD2 TYR A 55 -28.044 18.758 -7.153 1.00 53.31 C ATOM 921 CE1 TYR A 55 -27.370 16.778 -5.354 1.00 14.10 C ATOM 922 CE2 TYR A 55 -29.030 18.146 -6.403 1.00 50.13 C ATOM 923 CZ TYR A 55 -28.688 17.156 -5.506 1.00 11.34 C ATOM 924 OH TYR A 55 -29.666 16.543 -4.757 1.00 13.45 O ATOM 0 H TYR A 55 -23.307 18.191 -7.681 1.00 55.11 H new ATOM 0 HA TYR A 55 -25.670 17.305 -9.068 1.00 2.02 H new ATOM 0 HB2 TYR A 55 -24.850 19.426 -7.174 1.00 43.11 H new ATOM 0 HB3 TYR A 55 -26.060 19.945 -8.331 1.00 43.11 H new ATOM 0 HD1 TYR A 55 -25.360 17.100 -5.984 1.00 32.23 H new ATOM 0 HD2 TYR A 55 -28.315 19.532 -7.856 1.00 53.31 H new ATOM 0 HE1 TYR A 55 -27.105 16.003 -4.650 1.00 14.10 H new ATOM 0 HE2 TYR A 55 -30.062 18.441 -6.519 1.00 50.13 H new ATOM 0 HH TYR A 55 -30.539 16.926 -4.983 1.00 13.45 H new ATOM 934 N MET A 56 -23.924 19.857 -10.245 1.00 2.34 N ATOM 935 CA MET A 56 -23.677 20.654 -11.441 1.00 72.20 C ATOM 936 C MET A 56 -23.298 19.762 -12.619 1.00 42.11 C ATOM 937 O MET A 56 -23.695 20.017 -13.757 1.00 1.11 O ATOM 938 CB MET A 56 -22.567 21.674 -11.181 1.00 15.24 C ATOM 939 CG MET A 56 -22.316 22.611 -12.351 1.00 34.00 C ATOM 940 SD MET A 56 -20.833 23.613 -12.133 1.00 71.20 S ATOM 941 CE MET A 56 -19.933 23.215 -13.630 1.00 11.23 C ATOM 0 H MET A 56 -23.322 20.085 -9.454 1.00 2.34 H new ATOM 0 HA MET A 56 -24.596 21.185 -11.690 1.00 72.20 H new ATOM 0 HB2 MET A 56 -22.826 22.265 -10.302 1.00 15.24 H new ATOM 0 HB3 MET A 56 -21.644 21.143 -10.947 1.00 15.24 H new ATOM 0 HG2 MET A 56 -22.223 22.026 -13.266 1.00 34.00 H new ATOM 0 HG3 MET A 56 -23.177 23.267 -12.478 1.00 34.00 H new ATOM 0 HE1 MET A 56 -18.989 23.759 -13.643 1.00 11.23 H new ATOM 0 HE2 MET A 56 -19.735 22.144 -13.661 1.00 11.23 H new ATOM 0 HE3 MET A 56 -20.527 23.499 -14.498 1.00 11.23 H new ATOM 951 N LEU A 57 -22.528 18.716 -12.340 1.00 4.52 N ATOM 952 CA LEU A 57 -22.094 17.787 -13.377 1.00 32.40 C ATOM 953 C LEU A 57 -23.289 17.076 -14.005 1.00 41.32 C ATOM 954 O LEU A 57 -23.412 17.009 -15.228 1.00 64.43 O ATOM 955 CB LEU A 57 -21.123 16.758 -12.794 1.00 55.12 C ATOM 956 CG LEU A 57 -20.457 15.819 -13.800 1.00 41.01 C ATOM 957 CD1 LEU A 57 -21.410 14.704 -14.202 1.00 41.24 C ATOM 958 CD2 LEU A 57 -19.991 16.593 -15.025 1.00 13.02 C ATOM 0 H LEU A 57 -22.191 18.490 -11.404 1.00 4.52 H new ATOM 0 HA LEU A 57 -21.585 18.359 -14.153 1.00 32.40 H new ATOM 0 HB2 LEU A 57 -20.342 17.291 -12.253 1.00 55.12 H new ATOM 0 HB3 LEU A 57 -21.661 16.153 -12.064 1.00 55.12 H new ATOM 0 HG LEU A 57 -19.585 15.370 -13.326 1.00 41.01 H new ATOM 0 HD11 LEU A 57 -20.918 14.046 -14.918 1.00 41.24 H new ATOM 0 HD12 LEU A 57 -21.694 14.132 -13.319 1.00 41.24 H new ATOM 0 HD13 LEU A 57 -22.302 15.134 -14.657 1.00 41.24 H new ATOM 0 HD21 LEU A 57 -19.519 15.909 -15.730 1.00 13.02 H new ATOM 0 HD22 LEU A 57 -20.847 17.071 -15.501 1.00 13.02 H new ATOM 0 HD23 LEU A 57 -19.272 17.354 -14.723 1.00 13.02 H new ATOM 970 N VAL A 58 -24.169 16.549 -13.160 1.00 12.31 N ATOM 971 CA VAL A 58 -25.356 15.847 -13.632 1.00 35.11 C ATOM 972 C VAL A 58 -26.241 16.764 -14.469 1.00 13.14 C ATOM 973 O VAL A 58 -26.657 16.405 -15.570 1.00 42.41 O ATOM 974 CB VAL A 58 -26.181 15.287 -12.458 1.00 14.22 C ATOM 975 CG1 VAL A 58 -27.442 14.605 -12.968 1.00 1.54 C ATOM 976 CG2 VAL A 58 -25.343 14.325 -11.629 1.00 52.51 C ATOM 0 H VAL A 58 -24.082 16.595 -12.145 1.00 12.31 H new ATOM 0 HA VAL A 58 -25.009 15.019 -14.250 1.00 35.11 H new ATOM 0 HB VAL A 58 -26.479 16.117 -11.818 1.00 14.22 H new ATOM 0 HG11 VAL A 58 -28.012 14.216 -12.124 1.00 1.54 H new ATOM 0 HG12 VAL A 58 -28.050 15.326 -13.515 1.00 1.54 H new ATOM 0 HG13 VAL A 58 -27.169 13.784 -13.631 1.00 1.54 H new ATOM 0 HG21 VAL A 58 -25.942 13.939 -10.804 1.00 52.51 H new ATOM 0 HG22 VAL A 58 -25.013 13.497 -12.256 1.00 52.51 H new ATOM 0 HG23 VAL A 58 -24.473 14.849 -11.232 1.00 52.51 H new ATOM 986 N GLN A 59 -26.525 17.949 -13.938 1.00 2.20 N ATOM 987 CA GLN A 59 -27.361 18.918 -14.637 1.00 1.24 C ATOM 988 C GLN A 59 -26.763 19.276 -15.993 1.00 64.41 C ATOM 989 O GLN A 59 -27.487 19.510 -16.961 1.00 4.11 O ATOM 990 CB GLN A 59 -27.529 20.182 -13.791 1.00 71.21 C ATOM 991 CG GLN A 59 -28.405 19.981 -12.565 1.00 55.53 C ATOM 992 CD GLN A 59 -29.650 20.847 -12.590 1.00 31.40 C ATOM 993 OE1 GLN A 59 -30.726 20.395 -12.984 1.00 11.45 O ATOM 994 NE2 GLN A 59 -29.510 22.098 -12.168 1.00 60.03 N ATOM 0 H GLN A 59 -26.189 18.261 -13.027 1.00 2.20 H new ATOM 0 HA GLN A 59 -28.339 18.465 -14.800 1.00 1.24 H new ATOM 0 HB2 GLN A 59 -26.546 20.529 -13.472 1.00 71.21 H new ATOM 0 HB3 GLN A 59 -27.960 20.969 -14.410 1.00 71.21 H new ATOM 0 HG2 GLN A 59 -28.697 18.933 -12.500 1.00 55.53 H new ATOM 0 HG3 GLN A 59 -27.827 20.207 -11.669 1.00 55.53 H new ATOM 0 HE21 GLN A 59 -28.599 22.430 -11.850 1.00 60.03 H new ATOM 0 HE22 GLN A 59 -30.313 22.727 -12.162 1.00 60.03 H new ATOM 1003 N LYS A 60 -25.436 19.316 -16.057 1.00 20.01 N ATOM 1004 CA LYS A 60 -24.739 19.644 -17.295 1.00 24.13 C ATOM 1005 C LYS A 60 -24.835 18.495 -18.294 1.00 5.51 C ATOM 1006 O LYS A 60 -24.915 18.716 -19.503 1.00 11.15 O ATOM 1007 CB LYS A 60 -23.270 19.963 -17.008 1.00 23.25 C ATOM 1008 CG LYS A 60 -22.881 21.392 -17.343 1.00 43.20 C ATOM 1009 CD LYS A 60 -22.306 21.499 -18.745 1.00 44.14 C ATOM 1010 CE LYS A 60 -20.797 21.307 -18.745 1.00 42.12 C ATOM 1011 NZ LYS A 60 -20.273 21.027 -20.111 1.00 31.23 N ATOM 0 H LYS A 60 -24.822 19.125 -15.265 1.00 20.01 H new ATOM 0 HA LYS A 60 -25.217 20.522 -17.730 1.00 24.13 H new ATOM 0 HB2 LYS A 60 -23.066 19.778 -15.953 1.00 23.25 H new ATOM 0 HB3 LYS A 60 -22.640 19.281 -17.579 1.00 23.25 H new ATOM 0 HG2 LYS A 60 -23.755 22.038 -17.257 1.00 43.20 H new ATOM 0 HG3 LYS A 60 -22.148 21.750 -16.620 1.00 43.20 H new ATOM 0 HD2 LYS A 60 -22.769 20.750 -19.387 1.00 44.14 H new ATOM 0 HD3 LYS A 60 -22.550 22.475 -19.166 1.00 44.14 H new ATOM 0 HE2 LYS A 60 -20.317 22.202 -18.348 1.00 42.12 H new ATOM 0 HE3 LYS A 60 -20.536 20.484 -18.080 1.00 42.12 H new ATOM 0 HZ1 LYS A 60 -19.241 20.902 -20.068 1.00 31.23 H new ATOM 0 HZ2 LYS A 60 -20.712 20.159 -20.480 1.00 31.23 H new ATOM 0 HZ3 LYS A 60 -20.500 21.824 -20.740 1.00 31.23 H new ATOM 1025 N PHE A 61 -24.827 17.269 -17.782 1.00 3.33 N ATOM 1026 CA PHE A 61 -24.913 16.086 -18.630 1.00 14.04 C ATOM 1027 C PHE A 61 -26.340 15.880 -19.131 1.00 63.42 C ATOM 1028 O PHE A 61 -26.592 15.033 -19.987 1.00 61.03 O ATOM 1029 CB PHE A 61 -24.446 14.847 -17.862 1.00 54.42 C ATOM 1030 CG PHE A 61 -23.029 14.454 -18.164 1.00 44.32 C ATOM 1031 CD1 PHE A 61 -21.988 15.342 -17.944 1.00 23.03 C ATOM 1032 CD2 PHE A 61 -22.737 13.197 -18.668 1.00 44.11 C ATOM 1033 CE1 PHE A 61 -20.682 14.983 -18.222 1.00 34.04 C ATOM 1034 CE2 PHE A 61 -21.433 12.832 -18.947 1.00 41.35 C ATOM 1035 CZ PHE A 61 -20.404 13.726 -18.723 1.00 14.31 C ATOM 0 H PHE A 61 -24.762 17.069 -16.784 1.00 3.33 H new ATOM 0 HA PHE A 61 -24.262 16.238 -19.491 1.00 14.04 H new ATOM 0 HB2 PHE A 61 -24.543 15.034 -16.793 1.00 54.42 H new ATOM 0 HB3 PHE A 61 -25.105 14.012 -18.100 1.00 54.42 H new ATOM 0 HD1 PHE A 61 -22.199 16.326 -17.551 1.00 23.03 H new ATOM 0 HD2 PHE A 61 -23.537 12.494 -18.845 1.00 44.11 H new ATOM 0 HE1 PHE A 61 -19.880 15.685 -18.048 1.00 34.04 H new ATOM 0 HE2 PHE A 61 -21.219 11.849 -19.340 1.00 41.35 H new ATOM 0 HZ PHE A 61 -19.384 13.443 -18.939 1.00 14.31 H new ATOM 1045 N GLY A 62 -27.270 16.661 -18.590 1.00 61.41 N ATOM 1046 CA GLY A 62 -28.659 16.548 -18.994 1.00 14.24 C ATOM 1047 C GLY A 62 -29.491 15.765 -17.997 1.00 40.21 C ATOM 1048 O GLY A 62 -30.560 15.257 -18.333 1.00 41.32 O ATOM 0 H GLY A 62 -27.086 17.369 -17.880 1.00 61.41 H new ATOM 0 HA2 GLY A 62 -29.082 17.546 -19.112 1.00 14.24 H new ATOM 0 HA3 GLY A 62 -28.712 16.062 -19.968 1.00 14.24 H new ATOM 1052 N GLY A 63 -28.998 15.666 -16.766 1.00 73.41 N ATOM 1053 CA GLY A 63 -29.715 14.936 -15.737 1.00 33.31 C ATOM 1054 C GLY A 63 -29.374 13.459 -15.729 1.00 70.20 C ATOM 1055 O GLY A 63 -28.917 12.915 -16.734 1.00 50.20 O ATOM 0 H GLY A 63 -28.115 16.078 -16.463 1.00 73.41 H new ATOM 0 HA2 GLY A 63 -29.482 15.365 -14.762 1.00 33.31 H new ATOM 0 HA3 GLY A 63 -30.787 15.057 -15.890 1.00 33.31 H new ATOM 1059 N ALA A 64 -29.595 12.808 -14.591 1.00 42.15 N ATOM 1060 CA ALA A 64 -29.308 11.385 -14.457 1.00 42.41 C ATOM 1061 C ALA A 64 -29.948 10.587 -15.588 1.00 1.12 C ATOM 1062 O ALA A 64 -29.412 9.566 -16.020 1.00 55.32 O ATOM 1063 CB ALA A 64 -29.792 10.874 -13.108 1.00 44.41 C ATOM 0 H ALA A 64 -29.972 13.244 -13.749 1.00 42.15 H new ATOM 0 HA ALA A 64 -28.228 11.250 -14.518 1.00 42.41 H new ATOM 0 HB1 ALA A 64 -29.571 9.810 -13.021 1.00 44.41 H new ATOM 0 HB2 ALA A 64 -29.284 11.416 -12.310 1.00 44.41 H new ATOM 0 HB3 ALA A 64 -30.868 11.029 -13.025 1.00 44.41 H new ATOM 1069 N ASP A 65 -31.096 11.058 -16.062 1.00 31.03 N ATOM 1070 CA ASP A 65 -31.809 10.388 -17.143 1.00 32.11 C ATOM 1071 C ASP A 65 -30.970 10.367 -18.417 1.00 22.25 C ATOM 1072 O ASP A 65 -30.986 9.390 -19.165 1.00 1.00 O ATOM 1073 CB ASP A 65 -33.145 11.083 -17.409 1.00 52.33 C ATOM 1074 CG ASP A 65 -34.279 10.491 -16.595 1.00 5.32 C ATOM 1075 OD1 ASP A 65 -34.568 9.289 -16.767 1.00 63.04 O ATOM 1076 OD2 ASP A 65 -34.877 11.231 -15.785 1.00 70.42 O ATOM 0 H ASP A 65 -31.553 11.901 -15.715 1.00 31.03 H new ATOM 0 HA ASP A 65 -31.998 9.359 -16.837 1.00 32.11 H new ATOM 0 HB2 ASP A 65 -33.051 12.144 -17.178 1.00 52.33 H new ATOM 0 HB3 ASP A 65 -33.385 11.008 -18.470 1.00 52.33 H new ATOM 1081 N GLN A 66 -30.239 11.451 -18.655 1.00 61.25 N ATOM 1082 CA GLN A 66 -29.395 11.557 -19.840 1.00 23.43 C ATOM 1083 C GLN A 66 -28.215 10.593 -19.755 1.00 53.42 C ATOM 1084 O GLN A 66 -27.804 10.009 -20.758 1.00 53.40 O ATOM 1085 CB GLN A 66 -28.887 12.990 -20.003 1.00 40.25 C ATOM 1086 CG GLN A 66 -28.424 13.314 -21.415 1.00 1.13 C ATOM 1087 CD GLN A 66 -29.026 14.600 -21.946 1.00 33.20 C ATOM 1088 OE1 GLN A 66 -30.148 14.965 -21.594 1.00 74.12 O ATOM 1089 NE2 GLN A 66 -28.282 15.295 -22.798 1.00 71.44 N ATOM 0 H GLN A 66 -30.214 12.267 -18.044 1.00 61.25 H new ATOM 0 HA GLN A 66 -29.996 11.291 -20.709 1.00 23.43 H new ATOM 0 HB2 GLN A 66 -29.681 13.682 -19.722 1.00 40.25 H new ATOM 0 HB3 GLN A 66 -28.061 13.155 -19.312 1.00 40.25 H new ATOM 0 HG2 GLN A 66 -27.337 13.394 -21.427 1.00 1.13 H new ATOM 0 HG3 GLN A 66 -28.691 12.491 -22.078 1.00 1.13 H new ATOM 0 HE21 GLN A 66 -27.357 14.955 -23.062 1.00 71.44 H new ATOM 0 HE22 GLN A 66 -28.635 16.169 -23.188 1.00 71.44 H new ATOM 1098 N VAL A 67 -27.674 10.432 -18.552 1.00 11.22 N ATOM 1099 CA VAL A 67 -26.542 9.539 -18.336 1.00 50.21 C ATOM 1100 C VAL A 67 -26.938 8.085 -18.564 1.00 33.34 C ATOM 1101 O VAL A 67 -26.145 7.283 -19.058 1.00 70.03 O ATOM 1102 CB VAL A 67 -25.973 9.688 -16.913 1.00 10.14 C ATOM 1103 CG1 VAL A 67 -24.679 8.902 -16.770 1.00 4.02 C ATOM 1104 CG2 VAL A 67 -25.755 11.156 -16.577 1.00 61.23 C ATOM 0 H VAL A 67 -28.001 10.908 -17.712 1.00 11.22 H new ATOM 0 HA VAL A 67 -25.775 9.821 -19.057 1.00 50.21 H new ATOM 0 HB VAL A 67 -26.697 9.281 -16.207 1.00 10.14 H new ATOM 0 HG11 VAL A 67 -24.292 9.019 -15.758 1.00 4.02 H new ATOM 0 HG12 VAL A 67 -24.871 7.847 -16.965 1.00 4.02 H new ATOM 0 HG13 VAL A 67 -23.946 9.276 -17.485 1.00 4.02 H new ATOM 0 HG21 VAL A 67 -25.353 11.242 -15.568 1.00 61.23 H new ATOM 0 HG22 VAL A 67 -25.051 11.591 -17.287 1.00 61.23 H new ATOM 0 HG23 VAL A 67 -26.705 11.688 -16.636 1.00 61.23 H new ATOM 1114 N THR A 68 -28.172 7.749 -18.200 1.00 12.23 N ATOM 1115 CA THR A 68 -28.675 6.391 -18.363 1.00 44.02 C ATOM 1116 C THR A 68 -29.244 6.180 -19.761 1.00 40.05 C ATOM 1117 O THR A 68 -29.227 5.067 -20.287 1.00 42.04 O ATOM 1118 CB THR A 68 -29.764 6.066 -17.323 1.00 64.24 C ATOM 1119 OG1 THR A 68 -30.208 4.714 -17.486 1.00 53.51 O ATOM 1120 CG2 THR A 68 -30.945 7.014 -17.462 1.00 41.14 C ATOM 0 H THR A 68 -28.842 8.400 -17.790 1.00 12.23 H new ATOM 0 HA THR A 68 -27.829 5.721 -18.213 1.00 44.02 H new ATOM 0 HB THR A 68 -29.335 6.190 -16.329 1.00 64.24 H new ATOM 0 HG1 THR A 68 -30.899 4.514 -16.821 1.00 53.51 H new ATOM 0 HG21 THR A 68 -31.701 6.765 -16.717 1.00 41.14 H new ATOM 0 HG22 THR A 68 -30.608 8.039 -17.309 1.00 41.14 H new ATOM 0 HG23 THR A 68 -31.373 6.918 -18.460 1.00 41.14 H new ATOM 1128 N ARG A 69 -29.747 7.255 -20.359 1.00 13.22 N ATOM 1129 CA ARG A 69 -30.322 7.187 -21.697 1.00 35.02 C ATOM 1130 C ARG A 69 -29.299 6.668 -22.703 1.00 11.13 C ATOM 1131 O ARG A 69 -29.613 5.829 -23.548 1.00 44.20 O ATOM 1132 CB ARG A 69 -30.825 8.565 -22.130 1.00 14.33 C ATOM 1133 CG ARG A 69 -31.579 8.552 -23.450 1.00 21.33 C ATOM 1134 CD ARG A 69 -31.046 9.607 -24.406 1.00 63.34 C ATOM 1135 NE ARG A 69 -31.118 9.170 -25.798 1.00 54.32 N ATOM 1136 CZ ARG A 69 -30.636 9.875 -26.816 1.00 14.34 C ATOM 1137 NH1 ARG A 69 -30.050 11.044 -26.597 1.00 45.05 N ATOM 1138 NH2 ARG A 69 -30.741 9.411 -28.054 1.00 44.23 N ATOM 0 H ARG A 69 -29.768 8.184 -19.938 1.00 13.22 H new ATOM 0 HA ARG A 69 -31.162 6.493 -21.669 1.00 35.02 H new ATOM 0 HB2 ARG A 69 -31.477 8.965 -21.353 1.00 14.33 H new ATOM 0 HB3 ARG A 69 -29.975 9.243 -22.213 1.00 14.33 H new ATOM 0 HG2 ARG A 69 -31.494 7.567 -23.909 1.00 21.33 H new ATOM 0 HG3 ARG A 69 -32.639 8.728 -23.267 1.00 21.33 H new ATOM 0 HD2 ARG A 69 -31.617 10.528 -24.285 1.00 63.34 H new ATOM 0 HD3 ARG A 69 -30.012 9.838 -24.151 1.00 63.34 H new ATOM 0 HE ARG A 69 -31.563 8.274 -26.000 1.00 54.32 H new ATOM 0 HH11 ARG A 69 -29.969 11.403 -25.646 1.00 45.05 H new ATOM 0 HH12 ARG A 69 -29.681 11.584 -27.380 1.00 45.05 H new ATOM 0 HH21 ARG A 69 -31.192 8.512 -28.225 1.00 44.23 H new ATOM 0 HH22 ARG A 69 -30.371 9.953 -28.835 1.00 44.23 H new ATOM 1152 N THR A 70 -28.073 7.173 -22.606 1.00 51.20 N ATOM 1153 CA THR A 70 -27.004 6.763 -23.508 1.00 31.34 C ATOM 1154 C THR A 70 -26.174 5.638 -22.900 1.00 21.11 C ATOM 1155 O THR A 70 -25.245 5.131 -23.528 1.00 51.35 O ATOM 1156 CB THR A 70 -26.076 7.942 -23.852 1.00 5.51 C ATOM 1157 OG1 THR A 70 -26.184 8.960 -22.850 1.00 53.03 O ATOM 1158 CG2 THR A 70 -26.423 8.525 -25.214 1.00 21.04 C ATOM 0 H THR A 70 -27.796 7.867 -21.912 1.00 51.20 H new ATOM 0 HA THR A 70 -27.480 6.407 -24.422 1.00 31.34 H new ATOM 0 HB THR A 70 -25.051 7.571 -23.884 1.00 5.51 H new ATOM 0 HG1 THR A 70 -25.317 9.402 -22.738 1.00 53.03 H new ATOM 0 HG21 THR A 70 -25.754 9.357 -25.435 1.00 21.04 H new ATOM 0 HG22 THR A 70 -26.311 7.756 -25.978 1.00 21.04 H new ATOM 0 HG23 THR A 70 -27.453 8.881 -25.206 1.00 21.04 H new ATOM 1166 N GLN A 71 -26.515 5.252 -21.675 1.00 12.24 N ATOM 1167 CA GLN A 71 -25.800 4.186 -20.983 1.00 10.43 C ATOM 1168 C GLN A 71 -24.335 4.558 -20.777 1.00 14.33 C ATOM 1169 O GLN A 71 -23.438 3.773 -21.081 1.00 1.13 O ATOM 1170 CB GLN A 71 -25.901 2.880 -21.772 1.00 44.00 C ATOM 1171 CG GLN A 71 -25.775 1.636 -20.908 1.00 32.23 C ATOM 1172 CD GLN A 71 -24.685 0.698 -21.389 1.00 12.53 C ATOM 1173 OE1 GLN A 71 -24.686 0.267 -22.542 1.00 45.41 O ATOM 1174 NE2 GLN A 71 -23.747 0.378 -20.505 1.00 35.41 N ATOM 0 H GLN A 71 -27.282 5.661 -21.141 1.00 12.24 H new ATOM 0 HA GLN A 71 -26.262 4.048 -20.005 1.00 10.43 H new ATOM 0 HB2 GLN A 71 -26.857 2.854 -22.295 1.00 44.00 H new ATOM 0 HB3 GLN A 71 -25.121 2.864 -22.533 1.00 44.00 H new ATOM 0 HG2 GLN A 71 -25.566 1.932 -19.880 1.00 32.23 H new ATOM 0 HG3 GLN A 71 -26.727 1.106 -20.900 1.00 32.23 H new ATOM 0 HE21 GLN A 71 -23.786 0.759 -19.560 1.00 35.41 H new ATOM 0 HE22 GLN A 71 -22.988 -0.249 -20.771 1.00 35.41 H new ATOM 1183 N GLN A 72 -24.102 5.760 -20.259 1.00 52.12 N ATOM 1184 CA GLN A 72 -22.746 6.236 -20.014 1.00 61.30 C ATOM 1185 C GLN A 72 -22.470 6.346 -18.518 1.00 63.32 C ATOM 1186 O GLN A 72 -21.437 6.873 -18.105 1.00 41.22 O ATOM 1187 CB GLN A 72 -22.529 7.593 -20.686 1.00 34.22 C ATOM 1188 CG GLN A 72 -23.649 8.587 -20.423 1.00 40.04 C ATOM 1189 CD GLN A 72 -23.417 9.921 -21.106 1.00 72.52 C ATOM 1190 OE1 GLN A 72 -24.501 10.620 -21.422 1.00 62.22 O flip ATOM 1191 NE2 GLN A 72 -22.277 10.318 -21.347 1.00 44.25 N flip ATOM 0 H GLN A 72 -24.834 6.421 -20.001 1.00 52.12 H new ATOM 0 HA GLN A 72 -22.052 5.513 -20.441 1.00 61.30 H new ATOM 0 HB2 GLN A 72 -21.588 8.017 -20.335 1.00 34.22 H new ATOM 0 HB3 GLN A 72 -22.430 7.445 -21.761 1.00 34.22 H new ATOM 0 HG2 GLN A 72 -24.593 8.165 -20.769 1.00 40.04 H new ATOM 0 HG3 GLN A 72 -23.745 8.745 -19.349 1.00 40.04 H new ATOM 0 HE21 GLN A 72 -21.473 9.748 -21.086 1.00 44.25 H new ATOM 0 HE22 GLN A 72 -22.137 11.217 -21.807 1.00 44.25 H new ATOM 1200 N TRP A 73 -23.399 5.845 -17.712 1.00 3.30 N ATOM 1201 CA TRP A 73 -23.255 5.888 -16.261 1.00 50.11 C ATOM 1202 C TRP A 73 -21.981 5.177 -15.819 1.00 70.41 C ATOM 1203 O TRP A 73 -21.284 5.637 -14.915 1.00 32.43 O ATOM 1204 CB TRP A 73 -24.471 5.248 -15.589 1.00 3.34 C ATOM 1205 CG TRP A 73 -24.784 3.878 -16.108 1.00 74.12 C ATOM 1206 CD1 TRP A 73 -25.632 3.564 -17.132 1.00 64.22 C ATOM 1207 CD2 TRP A 73 -24.256 2.637 -15.627 1.00 42.31 C ATOM 1208 NE1 TRP A 73 -25.662 2.202 -17.317 1.00 5.43 N ATOM 1209 CE2 TRP A 73 -24.826 1.612 -16.407 1.00 25.44 C ATOM 1210 CE3 TRP A 73 -23.355 2.293 -14.615 1.00 54.25 C ATOM 1211 CZ2 TRP A 73 -24.524 0.268 -16.203 1.00 62.33 C ATOM 1212 CZ3 TRP A 73 -23.057 0.959 -14.415 1.00 32.12 C ATOM 1213 CH2 TRP A 73 -23.639 -0.041 -15.206 1.00 11.42 C ATOM 0 H TRP A 73 -24.259 5.405 -18.038 1.00 3.30 H new ATOM 0 HA TRP A 73 -23.189 6.933 -15.958 1.00 50.11 H new ATOM 0 HB2 TRP A 73 -24.295 5.190 -14.515 1.00 3.34 H new ATOM 0 HB3 TRP A 73 -25.339 5.891 -15.736 1.00 3.34 H new ATOM 0 HD1 TRP A 73 -26.196 4.280 -17.711 1.00 64.22 H new ATOM 0 HE1 TRP A 73 -26.217 1.711 -18.018 1.00 5.43 H new ATOM 0 HE3 TRP A 73 -22.900 3.056 -14.001 1.00 54.25 H new ATOM 0 HZ2 TRP A 73 -24.973 -0.504 -16.811 1.00 62.33 H new ATOM 0 HZ3 TRP A 73 -22.363 0.682 -13.635 1.00 32.12 H new ATOM 0 HH2 TRP A 73 -23.384 -1.075 -15.025 1.00 11.42 H new ATOM 1224 N SER A 74 -21.682 4.053 -16.463 1.00 32.33 N ATOM 1225 CA SER A 74 -20.493 3.276 -16.133 1.00 20.12 C ATOM 1226 C SER A 74 -19.225 4.061 -16.454 1.00 61.12 C ATOM 1227 O SER A 74 -18.246 4.011 -15.710 1.00 41.13 O ATOM 1228 CB SER A 74 -20.494 1.951 -16.899 1.00 14.55 C ATOM 1229 OG SER A 74 -19.182 1.431 -17.020 1.00 41.21 O ATOM 0 H SER A 74 -22.247 3.660 -17.216 1.00 32.33 H new ATOM 0 HA SER A 74 -20.510 3.069 -15.063 1.00 20.12 H new ATOM 0 HB2 SER A 74 -21.128 1.230 -16.383 1.00 14.55 H new ATOM 0 HB3 SER A 74 -20.922 2.101 -17.890 1.00 14.55 H new ATOM 0 HG SER A 74 -19.210 0.584 -17.512 1.00 41.21 H new ATOM 1235 N MET A 75 -19.251 4.785 -17.568 1.00 54.32 N ATOM 1236 CA MET A 75 -18.105 5.582 -17.988 1.00 43.34 C ATOM 1237 C MET A 75 -17.941 6.810 -17.098 1.00 43.25 C ATOM 1238 O MET A 75 -16.841 7.109 -16.633 1.00 1.31 O ATOM 1239 CB MET A 75 -18.263 6.013 -19.448 1.00 14.22 C ATOM 1240 CG MET A 75 -17.620 5.055 -20.438 1.00 13.44 C ATOM 1241 SD MET A 75 -18.237 5.276 -22.118 1.00 25.33 S ATOM 1242 CE MET A 75 -16.731 5.732 -22.974 1.00 23.15 C ATOM 0 H MET A 75 -20.053 4.836 -18.196 1.00 54.32 H new ATOM 0 HA MET A 75 -17.211 4.965 -17.894 1.00 43.34 H new ATOM 0 HB2 MET A 75 -19.324 6.103 -19.679 1.00 14.22 H new ATOM 0 HB3 MET A 75 -17.824 7.003 -19.576 1.00 14.22 H new ATOM 0 HG2 MET A 75 -16.540 5.201 -20.430 1.00 13.44 H new ATOM 0 HG3 MET A 75 -17.806 4.030 -20.119 1.00 13.44 H new ATOM 0 HE1 MET A 75 -16.949 5.903 -24.028 1.00 23.15 H new ATOM 0 HE2 MET A 75 -16.325 6.643 -22.535 1.00 23.15 H new ATOM 0 HE3 MET A 75 -16.001 4.928 -22.880 1.00 23.15 H new ATOM 1252 N VAL A 76 -19.041 7.519 -16.866 1.00 72.41 N ATOM 1253 CA VAL A 76 -19.019 8.714 -16.031 1.00 71.33 C ATOM 1254 C VAL A 76 -18.670 8.369 -14.588 1.00 1.42 C ATOM 1255 O VAL A 76 -17.784 8.980 -13.990 1.00 73.01 O ATOM 1256 CB VAL A 76 -20.375 9.443 -16.060 1.00 12.52 C ATOM 1257 CG1 VAL A 76 -20.339 10.673 -15.166 1.00 2.45 C ATOM 1258 CG2 VAL A 76 -20.746 9.822 -17.486 1.00 33.33 C ATOM 0 H VAL A 76 -19.959 7.286 -17.245 1.00 72.41 H new ATOM 0 HA VAL A 76 -18.252 9.372 -16.439 1.00 71.33 H new ATOM 0 HB VAL A 76 -21.139 8.767 -15.677 1.00 12.52 H new ATOM 0 HG11 VAL A 76 -21.306 11.175 -15.199 1.00 2.45 H new ATOM 0 HG12 VAL A 76 -20.122 10.372 -14.141 1.00 2.45 H new ATOM 0 HG13 VAL A 76 -19.564 11.355 -15.516 1.00 2.45 H new ATOM 0 HG21 VAL A 76 -21.707 10.336 -17.487 1.00 33.33 H new ATOM 0 HG22 VAL A 76 -19.981 10.481 -17.898 1.00 33.33 H new ATOM 0 HG23 VAL A 76 -20.816 8.921 -18.096 1.00 33.33 H new ATOM 1268 N ALA A 77 -19.372 7.387 -14.033 1.00 61.53 N ATOM 1269 CA ALA A 77 -19.135 6.959 -12.660 1.00 65.43 C ATOM 1270 C ALA A 77 -17.672 6.583 -12.447 1.00 71.45 C ATOM 1271 O ALA A 77 -17.100 6.854 -11.392 1.00 70.51 O ATOM 1272 CB ALA A 77 -20.039 5.787 -12.309 1.00 33.03 C ATOM 0 H ALA A 77 -20.110 6.872 -14.513 1.00 61.53 H new ATOM 0 HA ALA A 77 -19.368 7.794 -12.000 1.00 65.43 H new ATOM 0 HB1 ALA A 77 -19.851 5.478 -11.281 1.00 33.03 H new ATOM 0 HB2 ALA A 77 -21.082 6.088 -12.413 1.00 33.03 H new ATOM 0 HB3 ALA A 77 -19.833 4.954 -12.982 1.00 33.03 H new ATOM 1278 N GLN A 78 -17.074 5.957 -13.456 1.00 60.11 N ATOM 1279 CA GLN A 78 -15.678 5.543 -13.377 1.00 72.34 C ATOM 1280 C GLN A 78 -14.758 6.752 -13.250 1.00 1.25 C ATOM 1281 O GLN A 78 -13.713 6.684 -12.601 1.00 75.23 O ATOM 1282 CB GLN A 78 -15.296 4.725 -14.612 1.00 75.14 C ATOM 1283 CG GLN A 78 -15.607 3.243 -14.480 1.00 60.34 C ATOM 1284 CD GLN A 78 -15.275 2.463 -15.737 1.00 72.42 C ATOM 1285 OE1 GLN A 78 -14.172 2.567 -16.273 1.00 64.13 O ATOM 1286 NE2 GLN A 78 -16.231 1.675 -16.215 1.00 33.51 N ATOM 0 H GLN A 78 -17.534 5.726 -14.337 1.00 60.11 H new ATOM 0 HA GLN A 78 -15.559 4.924 -12.488 1.00 72.34 H new ATOM 0 HB2 GLN A 78 -15.824 5.123 -15.479 1.00 75.14 H new ATOM 0 HB3 GLN A 78 -14.230 4.848 -14.804 1.00 75.14 H new ATOM 0 HG2 GLN A 78 -15.045 2.831 -13.642 1.00 60.34 H new ATOM 0 HG3 GLN A 78 -16.664 3.117 -14.247 1.00 60.34 H new ATOM 0 HE21 GLN A 78 -17.131 1.619 -15.739 1.00 33.51 H new ATOM 0 HE22 GLN A 78 -16.065 1.126 -17.058 1.00 33.51 H new ATOM 1295 N ARG A 79 -15.152 7.858 -13.872 1.00 13.10 N ATOM 1296 CA ARG A 79 -14.362 9.082 -13.829 1.00 2.41 C ATOM 1297 C ARG A 79 -14.153 9.544 -12.390 1.00 2.23 C ATOM 1298 O ARG A 79 -13.053 9.946 -12.009 1.00 5.40 O ATOM 1299 CB ARG A 79 -15.048 10.186 -14.635 1.00 50.45 C ATOM 1300 CG ARG A 79 -14.158 10.805 -15.701 1.00 2.54 C ATOM 1301 CD ARG A 79 -14.975 11.549 -16.746 1.00 65.21 C ATOM 1302 NE ARG A 79 -15.302 10.701 -17.889 1.00 73.21 N ATOM 1303 CZ ARG A 79 -14.423 10.352 -18.822 1.00 1.42 C ATOM 1304 NH1 ARG A 79 -13.169 10.777 -18.747 1.00 20.41 N ATOM 1305 NH2 ARG A 79 -14.797 9.578 -19.832 1.00 32.42 N ATOM 0 H ARG A 79 -16.014 7.931 -14.412 1.00 13.10 H new ATOM 0 HA ARG A 79 -13.388 8.871 -14.270 1.00 2.41 H new ATOM 0 HB2 ARG A 79 -15.939 9.777 -15.111 1.00 50.45 H new ATOM 0 HB3 ARG A 79 -15.382 10.968 -13.953 1.00 50.45 H new ATOM 0 HG2 ARG A 79 -13.452 11.491 -15.233 1.00 2.54 H new ATOM 0 HG3 ARG A 79 -13.571 10.024 -16.185 1.00 2.54 H new ATOM 0 HD2 ARG A 79 -15.895 11.917 -16.292 1.00 65.21 H new ATOM 0 HD3 ARG A 79 -14.418 12.421 -17.089 1.00 65.21 H new ATOM 0 HE ARG A 79 -16.258 10.358 -17.976 1.00 73.21 H new ATOM 0 HH11 ARG A 79 -12.878 11.373 -17.972 1.00 20.41 H new ATOM 0 HH12 ARG A 79 -12.496 10.508 -19.464 1.00 20.41 H new ATOM 0 HH21 ARG A 79 -15.761 9.250 -19.893 1.00 32.42 H new ATOM 0 HH22 ARG A 79 -14.121 9.311 -20.547 1.00 32.42 H new ATOM 1319 N LEU A 80 -15.215 9.484 -11.594 1.00 52.25 N ATOM 1320 CA LEU A 80 -15.149 9.897 -10.197 1.00 21.43 C ATOM 1321 C LEU A 80 -14.953 8.692 -9.282 1.00 60.42 C ATOM 1322 O LEU A 80 -14.816 8.838 -8.068 1.00 55.50 O ATOM 1323 CB LEU A 80 -16.423 10.647 -9.805 1.00 31.21 C ATOM 1324 CG LEU A 80 -17.736 10.051 -10.313 1.00 72.33 C ATOM 1325 CD1 LEU A 80 -18.853 10.283 -9.307 1.00 42.04 C ATOM 1326 CD2 LEU A 80 -18.103 10.644 -11.666 1.00 64.41 C ATOM 0 H LEU A 80 -16.132 9.153 -11.893 1.00 52.25 H new ATOM 0 HA LEU A 80 -14.293 10.562 -10.081 1.00 21.43 H new ATOM 0 HB2 LEU A 80 -16.469 10.701 -8.717 1.00 31.21 H new ATOM 0 HB3 LEU A 80 -16.346 11.670 -10.172 1.00 31.21 H new ATOM 0 HG LEU A 80 -17.601 8.976 -10.434 1.00 72.33 H new ATOM 0 HD11 LEU A 80 -19.780 9.852 -9.686 1.00 42.04 H new ATOM 0 HD12 LEU A 80 -18.594 9.810 -8.360 1.00 42.04 H new ATOM 0 HD13 LEU A 80 -18.987 11.354 -9.153 1.00 42.04 H new ATOM 0 HD21 LEU A 80 -19.040 10.208 -12.012 1.00 64.41 H new ATOM 0 HD22 LEU A 80 -18.218 11.724 -11.571 1.00 64.41 H new ATOM 0 HD23 LEU A 80 -17.314 10.425 -12.385 1.00 64.41 H new ATOM 1338 N GLN A 81 -14.938 7.502 -9.874 1.00 73.15 N ATOM 1339 CA GLN A 81 -14.757 6.272 -9.112 1.00 73.05 C ATOM 1340 C GLN A 81 -15.877 6.094 -8.092 1.00 4.10 C ATOM 1341 O GLN A 81 -15.622 5.819 -6.919 1.00 71.00 O ATOM 1342 CB GLN A 81 -13.402 6.281 -8.404 1.00 23.01 C ATOM 1343 CG GLN A 81 -12.978 4.917 -7.884 1.00 63.34 C ATOM 1344 CD GLN A 81 -12.225 5.000 -6.571 1.00 13.40 C ATOM 1345 OE1 GLN A 81 -11.558 5.996 -6.287 1.00 33.43 O ATOM 1346 NE2 GLN A 81 -12.329 3.953 -5.761 1.00 63.03 N ATOM 0 H GLN A 81 -15.049 7.364 -10.878 1.00 73.15 H new ATOM 0 HA GLN A 81 -14.789 5.434 -9.809 1.00 73.05 H new ATOM 0 HB2 GLN A 81 -12.643 6.649 -9.094 1.00 23.01 H new ATOM 0 HB3 GLN A 81 -13.442 6.982 -7.570 1.00 23.01 H new ATOM 0 HG2 GLN A 81 -13.861 4.292 -7.753 1.00 63.34 H new ATOM 0 HG3 GLN A 81 -12.349 4.428 -8.628 1.00 63.34 H new ATOM 0 HE21 GLN A 81 -12.893 3.149 -6.037 1.00 63.03 H new ATOM 0 HE22 GLN A 81 -11.845 3.953 -4.863 1.00 63.03 H new ATOM 1355 N ILE A 82 -17.115 6.253 -8.546 1.00 12.31 N ATOM 1356 CA ILE A 82 -18.273 6.110 -7.672 1.00 61.51 C ATOM 1357 C ILE A 82 -18.900 4.727 -7.813 1.00 62.43 C ATOM 1358 O ILE A 82 -19.416 4.166 -6.847 1.00 0.14 O ATOM 1359 CB ILE A 82 -19.341 7.178 -7.972 1.00 62.11 C ATOM 1360 CG1 ILE A 82 -20.521 7.035 -7.009 1.00 0.22 C ATOM 1361 CG2 ILE A 82 -19.811 7.066 -9.415 1.00 11.33 C ATOM 1362 CD1 ILE A 82 -21.488 8.197 -7.061 1.00 43.52 C ATOM 0 H ILE A 82 -17.342 6.481 -9.514 1.00 12.31 H new ATOM 0 HA ILE A 82 -17.916 6.243 -6.651 1.00 61.51 H new ATOM 0 HB ILE A 82 -18.898 8.164 -7.830 1.00 62.11 H new ATOM 0 HG12 ILE A 82 -21.058 6.115 -7.240 1.00 0.22 H new ATOM 0 HG13 ILE A 82 -20.140 6.935 -5.993 1.00 0.22 H new ATOM 0 HG21 ILE A 82 -20.566 7.827 -9.612 1.00 11.33 H new ATOM 0 HG22 ILE A 82 -18.964 7.212 -10.086 1.00 11.33 H new ATOM 0 HG23 ILE A 82 -20.240 6.078 -9.582 1.00 11.33 H new ATOM 0 HD11 ILE A 82 -22.299 8.028 -6.353 1.00 43.52 H new ATOM 0 HD12 ILE A 82 -20.965 9.117 -6.801 1.00 43.52 H new ATOM 0 HD13 ILE A 82 -21.898 8.285 -8.067 1.00 43.52 H new ATOM 1374 N SER A 83 -18.849 4.181 -9.024 1.00 73.23 N ATOM 1375 CA SER A 83 -19.414 2.864 -9.293 1.00 70.42 C ATOM 1376 C SER A 83 -18.420 1.991 -10.054 1.00 1.33 C ATOM 1377 O SER A 83 -18.599 1.717 -11.241 1.00 2.34 O ATOM 1378 CB SER A 83 -20.711 2.995 -10.094 1.00 11.13 C ATOM 1379 OG SER A 83 -21.282 1.724 -10.352 1.00 42.14 O ATOM 0 H SER A 83 -18.422 4.630 -9.834 1.00 73.23 H new ATOM 0 HA SER A 83 -19.632 2.388 -8.337 1.00 70.42 H new ATOM 0 HB2 SER A 83 -21.422 3.611 -9.543 1.00 11.13 H new ATOM 0 HB3 SER A 83 -20.510 3.505 -11.036 1.00 11.13 H new ATOM 0 HG SER A 83 -22.110 1.835 -10.864 1.00 42.14 H new ATOM 1385 N ASP A 84 -17.372 1.558 -9.361 1.00 40.54 N ATOM 1386 CA ASP A 84 -16.349 0.716 -9.970 1.00 3.22 C ATOM 1387 C ASP A 84 -16.676 -0.761 -9.777 1.00 24.34 C ATOM 1388 O ASP A 84 -15.894 -1.508 -9.187 1.00 73.53 O ATOM 1389 CB ASP A 84 -14.977 1.030 -9.371 1.00 1.42 C ATOM 1390 CG ASP A 84 -14.260 2.140 -10.115 1.00 75.11 C ATOM 1391 OD1 ASP A 84 -14.946 2.954 -10.769 1.00 24.14 O ATOM 1392 OD2 ASP A 84 -13.015 2.194 -10.045 1.00 24.31 O ATOM 0 H ASP A 84 -17.209 1.776 -8.378 1.00 40.54 H new ATOM 0 HA ASP A 84 -16.327 0.928 -11.039 1.00 3.22 H new ATOM 0 HB2 ASP A 84 -15.097 1.316 -8.326 1.00 1.42 H new ATOM 0 HB3 ASP A 84 -14.362 0.130 -9.387 1.00 1.42 H new ATOM 1397 N TYR A 85 -17.835 -1.175 -10.276 1.00 22.53 N ATOM 1398 CA TYR A 85 -18.267 -2.563 -10.155 1.00 2.20 C ATOM 1399 C TYR A 85 -18.590 -2.909 -8.705 1.00 3.34 C ATOM 1400 O TYR A 85 -19.205 -2.118 -7.990 1.00 31.44 O ATOM 1401 CB TYR A 85 -17.185 -3.504 -10.687 1.00 23.13 C ATOM 1402 CG TYR A 85 -16.550 -3.031 -11.975 1.00 10.22 C ATOM 1403 CD1 TYR A 85 -17.278 -2.993 -13.158 1.00 30.02 C ATOM 1404 CD2 TYR A 85 -15.223 -2.622 -12.009 1.00 65.45 C ATOM 1405 CE1 TYR A 85 -16.702 -2.562 -14.337 1.00 73.04 C ATOM 1406 CE2 TYR A 85 -14.639 -2.188 -13.184 1.00 31.50 C ATOM 1407 CZ TYR A 85 -15.383 -2.160 -14.345 1.00 61.32 C ATOM 1408 OH TYR A 85 -14.805 -1.730 -15.518 1.00 21.24 O ATOM 0 H TYR A 85 -18.492 -0.570 -10.768 1.00 22.53 H new ATOM 0 HA TYR A 85 -19.172 -2.688 -10.749 1.00 2.20 H new ATOM 0 HB2 TYR A 85 -16.409 -3.617 -9.930 1.00 23.13 H new ATOM 0 HB3 TYR A 85 -17.620 -4.490 -10.847 1.00 23.13 H new ATOM 0 HD1 TYR A 85 -18.312 -3.306 -13.155 1.00 30.02 H new ATOM 0 HD2 TYR A 85 -14.638 -2.644 -11.102 1.00 65.45 H new ATOM 0 HE1 TYR A 85 -17.282 -2.540 -15.248 1.00 73.04 H new ATOM 0 HE2 TYR A 85 -13.606 -1.873 -13.193 1.00 31.50 H new ATOM 0 HH TYR A 85 -13.872 -1.482 -15.351 1.00 21.24 H new ATOM 1418 N GLN A 86 -18.169 -4.095 -8.278 1.00 64.02 N ATOM 1419 CA GLN A 86 -18.413 -4.546 -6.913 1.00 64.44 C ATOM 1420 C GLN A 86 -17.970 -3.492 -5.904 1.00 60.11 C ATOM 1421 O GLN A 86 -18.582 -3.336 -4.848 1.00 1.11 O ATOM 1422 CB GLN A 86 -17.678 -5.862 -6.650 1.00 10.02 C ATOM 1423 CG GLN A 86 -16.167 -5.749 -6.768 1.00 63.21 C ATOM 1424 CD GLN A 86 -15.484 -7.101 -6.833 1.00 22.11 C ATOM 1425 OE1 GLN A 86 -15.390 -7.712 -7.898 1.00 14.00 O ATOM 1426 NE2 GLN A 86 -15.002 -7.576 -5.691 1.00 24.44 N ATOM 0 H GLN A 86 -17.657 -4.761 -8.857 1.00 64.02 H new ATOM 0 HA GLN A 86 -19.485 -4.706 -6.796 1.00 64.44 H new ATOM 0 HB2 GLN A 86 -17.931 -6.216 -5.651 1.00 10.02 H new ATOM 0 HB3 GLN A 86 -18.034 -6.614 -7.354 1.00 10.02 H new ATOM 0 HG2 GLN A 86 -15.918 -5.177 -7.662 1.00 63.21 H new ATOM 0 HG3 GLN A 86 -15.780 -5.192 -5.915 1.00 63.21 H new ATOM 0 HE21 GLN A 86 -15.102 -7.036 -4.831 1.00 24.44 H new ATOM 0 HE22 GLN A 86 -14.532 -8.481 -5.673 1.00 24.44 H new ATOM 1435 N GLN A 87 -16.903 -2.772 -6.237 1.00 33.41 N ATOM 1436 CA GLN A 87 -16.379 -1.734 -5.358 1.00 42.32 C ATOM 1437 C GLN A 87 -17.454 -0.703 -5.032 1.00 11.42 C ATOM 1438 O GLN A 87 -17.393 -0.031 -4.001 1.00 20.32 O ATOM 1439 CB GLN A 87 -15.176 -1.046 -6.008 1.00 35.15 C ATOM 1440 CG GLN A 87 -13.895 -1.169 -5.198 1.00 54.43 C ATOM 1441 CD GLN A 87 -13.091 0.116 -5.181 1.00 40.20 C ATOM 1442 OE1 GLN A 87 -12.521 0.519 -6.195 1.00 51.15 O ATOM 1443 NE2 GLN A 87 -13.040 0.768 -4.025 1.00 74.21 N ATOM 0 H GLN A 87 -16.385 -2.889 -7.108 1.00 33.41 H new ATOM 0 HA GLN A 87 -16.061 -2.206 -4.429 1.00 42.32 H new ATOM 0 HB2 GLN A 87 -15.013 -1.474 -6.997 1.00 35.15 H new ATOM 0 HB3 GLN A 87 -15.405 0.010 -6.152 1.00 35.15 H new ATOM 0 HG2 GLN A 87 -14.142 -1.452 -4.175 1.00 54.43 H new ATOM 0 HG3 GLN A 87 -13.283 -1.971 -5.612 1.00 54.43 H new ATOM 0 HE21 GLN A 87 -13.527 0.398 -3.209 1.00 74.21 H new ATOM 0 HE22 GLN A 87 -12.513 1.639 -3.953 1.00 74.21 H new ATOM 1452 N LEU A 88 -18.438 -0.581 -5.916 1.00 70.20 N ATOM 1453 CA LEU A 88 -19.528 0.369 -5.722 1.00 61.03 C ATOM 1454 C LEU A 88 -20.179 0.180 -4.356 1.00 60.40 C ATOM 1455 O LEU A 88 -20.689 1.130 -3.765 1.00 15.24 O ATOM 1456 CB LEU A 88 -20.575 0.206 -6.826 1.00 3.32 C ATOM 1457 CG LEU A 88 -21.902 0.933 -6.604 1.00 43.04 C ATOM 1458 CD1 LEU A 88 -21.664 2.415 -6.361 1.00 55.31 C ATOM 1459 CD2 LEU A 88 -22.827 0.728 -7.795 1.00 34.54 C ATOM 0 H LEU A 88 -18.504 -1.128 -6.774 1.00 70.20 H new ATOM 0 HA LEU A 88 -19.112 1.376 -5.769 1.00 61.03 H new ATOM 0 HB2 LEU A 88 -20.143 0.557 -7.763 1.00 3.32 H new ATOM 0 HB3 LEU A 88 -20.782 -0.857 -6.949 1.00 3.32 H new ATOM 0 HG LEU A 88 -22.382 0.513 -5.720 1.00 43.04 H new ATOM 0 HD11 LEU A 88 -22.619 2.916 -6.205 1.00 55.31 H new ATOM 0 HD12 LEU A 88 -21.039 2.543 -5.477 1.00 55.31 H new ATOM 0 HD13 LEU A 88 -21.163 2.850 -7.226 1.00 55.31 H new ATOM 0 HD21 LEU A 88 -23.767 1.252 -7.620 1.00 34.54 H new ATOM 0 HD22 LEU A 88 -22.354 1.121 -8.695 1.00 34.54 H new ATOM 0 HD23 LEU A 88 -23.024 -0.336 -7.924 1.00 34.54 H new ATOM 1471 N GLU A 89 -20.155 -1.054 -3.860 1.00 41.34 N ATOM 1472 CA GLU A 89 -20.742 -1.366 -2.563 1.00 20.42 C ATOM 1473 C GLU A 89 -19.948 -0.714 -1.435 1.00 1.21 C ATOM 1474 O GLU A 89 -20.521 -0.213 -0.467 1.00 44.12 O ATOM 1475 CB GLU A 89 -20.795 -2.881 -2.354 1.00 21.32 C ATOM 1476 CG GLU A 89 -21.858 -3.322 -1.361 1.00 42.04 C ATOM 1477 CD GLU A 89 -21.713 -4.777 -0.959 1.00 51.14 C ATOM 1478 OE1 GLU A 89 -20.737 -5.103 -0.252 1.00 71.43 O ATOM 1479 OE2 GLU A 89 -22.577 -5.589 -1.352 1.00 41.01 O ATOM 0 H GLU A 89 -19.736 -1.852 -4.337 1.00 41.34 H new ATOM 0 HA GLU A 89 -21.757 -0.968 -2.547 1.00 20.42 H new ATOM 0 HB2 GLU A 89 -20.982 -3.365 -3.312 1.00 21.32 H new ATOM 0 HB3 GLU A 89 -19.821 -3.226 -2.007 1.00 21.32 H new ATOM 0 HG2 GLU A 89 -21.801 -2.696 -0.471 1.00 42.04 H new ATOM 0 HG3 GLU A 89 -22.845 -3.166 -1.797 1.00 42.04 H new ATOM 1486 N SER A 90 -18.625 -0.724 -1.567 1.00 73.52 N ATOM 1487 CA SER A 90 -17.751 -0.138 -0.558 1.00 34.11 C ATOM 1488 C SER A 90 -17.865 1.383 -0.559 1.00 0.43 C ATOM 1489 O SER A 90 -17.931 2.012 0.498 1.00 15.10 O ATOM 1490 CB SER A 90 -16.300 -0.553 -0.807 1.00 1.44 C ATOM 1491 OG SER A 90 -15.998 -1.772 -0.150 1.00 50.33 O ATOM 0 H SER A 90 -18.135 -1.132 -2.363 1.00 73.52 H new ATOM 0 HA SER A 90 -18.064 -0.508 0.418 1.00 34.11 H new ATOM 0 HB2 SER A 90 -16.128 -0.661 -1.878 1.00 1.44 H new ATOM 0 HB3 SER A 90 -15.629 0.230 -0.454 1.00 1.44 H new ATOM 0 HG SER A 90 -15.065 -2.016 -0.326 1.00 50.33 H new ATOM 1497 N ILE A 91 -17.886 1.968 -1.752 1.00 14.04 N ATOM 1498 CA ILE A 91 -17.993 3.415 -1.891 1.00 0.12 C ATOM 1499 C ILE A 91 -19.350 3.916 -1.406 1.00 64.55 C ATOM 1500 O ILE A 91 -19.439 4.936 -0.724 1.00 2.24 O ATOM 1501 CB ILE A 91 -17.787 3.857 -3.352 1.00 32.22 C ATOM 1502 CG1 ILE A 91 -16.516 3.225 -3.924 1.00 54.42 C ATOM 1503 CG2 ILE A 91 -17.718 5.374 -3.442 1.00 31.13 C ATOM 1504 CD1 ILE A 91 -15.262 3.595 -3.163 1.00 54.13 C ATOM 0 H ILE A 91 -17.830 1.462 -2.636 1.00 14.04 H new ATOM 0 HA ILE A 91 -17.207 3.850 -1.274 1.00 0.12 H new ATOM 0 HB ILE A 91 -18.637 3.516 -3.943 1.00 32.22 H new ATOM 0 HG12 ILE A 91 -16.626 2.141 -3.921 1.00 54.42 H new ATOM 0 HG13 ILE A 91 -16.404 3.531 -4.964 1.00 54.42 H new ATOM 0 HG21 ILE A 91 -17.572 5.671 -4.481 1.00 31.13 H new ATOM 0 HG22 ILE A 91 -18.648 5.803 -3.069 1.00 31.13 H new ATOM 0 HG23 ILE A 91 -16.884 5.737 -2.841 1.00 31.13 H new ATOM 0 HD11 ILE A 91 -14.401 3.112 -3.624 1.00 54.13 H new ATOM 0 HD12 ILE A 91 -15.127 4.676 -3.187 1.00 54.13 H new ATOM 0 HD13 ILE A 91 -15.353 3.264 -2.129 1.00 54.13 H new ATOM 1516 N TYR A 92 -20.403 3.190 -1.763 1.00 33.51 N ATOM 1517 CA TYR A 92 -21.756 3.560 -1.365 1.00 73.33 C ATOM 1518 C TYR A 92 -21.940 3.416 0.142 1.00 4.05 C ATOM 1519 O TYR A 92 -22.595 4.240 0.781 1.00 24.25 O ATOM 1520 CB TYR A 92 -22.781 2.694 -2.100 1.00 32.33 C ATOM 1521 CG TYR A 92 -24.135 3.350 -2.245 1.00 55.21 C ATOM 1522 CD1 TYR A 92 -24.253 4.646 -2.732 1.00 3.34 C ATOM 1523 CD2 TYR A 92 -25.298 2.674 -1.897 1.00 31.32 C ATOM 1524 CE1 TYR A 92 -25.488 5.250 -2.865 1.00 41.13 C ATOM 1525 CE2 TYR A 92 -26.538 3.269 -2.029 1.00 2.14 C ATOM 1526 CZ TYR A 92 -26.627 4.557 -2.513 1.00 14.52 C ATOM 1527 OH TYR A 92 -27.860 5.155 -2.646 1.00 22.02 O ATOM 0 H TYR A 92 -20.346 2.342 -2.327 1.00 33.51 H new ATOM 0 HA TYR A 92 -21.913 4.605 -1.633 1.00 73.33 H new ATOM 0 HB2 TYR A 92 -22.396 2.452 -3.091 1.00 32.33 H new ATOM 0 HB3 TYR A 92 -22.899 1.752 -1.565 1.00 32.33 H new ATOM 0 HD1 TYR A 92 -23.363 5.191 -3.011 1.00 3.34 H new ATOM 0 HD2 TYR A 92 -25.232 1.665 -1.517 1.00 31.32 H new ATOM 0 HE1 TYR A 92 -25.561 6.259 -3.243 1.00 41.13 H new ATOM 0 HE2 TYR A 92 -27.432 2.729 -1.755 1.00 2.14 H new ATOM 0 HH TYR A 92 -28.559 4.532 -2.356 1.00 22.02 H new ATOM 1537 N PHE A 93 -21.355 2.363 0.705 1.00 14.42 N ATOM 1538 CA PHE A 93 -21.453 2.110 2.138 1.00 74.31 C ATOM 1539 C PHE A 93 -20.741 3.200 2.933 1.00 30.22 C ATOM 1540 O PHE A 93 -21.304 3.770 3.868 1.00 74.13 O ATOM 1541 CB PHE A 93 -20.856 0.742 2.477 1.00 14.32 C ATOM 1542 CG PHE A 93 -21.021 0.358 3.920 1.00 70.33 C ATOM 1543 CD1 PHE A 93 -20.089 0.752 4.866 1.00 12.33 C ATOM 1544 CD2 PHE A 93 -22.108 -0.398 4.329 1.00 3.03 C ATOM 1545 CE1 PHE A 93 -20.238 0.399 6.194 1.00 30.11 C ATOM 1546 CE2 PHE A 93 -22.262 -0.754 5.656 1.00 70.00 C ATOM 1547 CZ PHE A 93 -21.326 -0.354 6.590 1.00 73.03 C ATOM 0 H PHE A 93 -20.809 1.672 0.191 1.00 14.42 H new ATOM 0 HA PHE A 93 -22.508 2.117 2.412 1.00 74.31 H new ATOM 0 HB2 PHE A 93 -21.327 -0.016 1.851 1.00 14.32 H new ATOM 0 HB3 PHE A 93 -19.795 0.746 2.229 1.00 14.32 H new ATOM 0 HD1 PHE A 93 -19.236 1.342 4.563 1.00 12.33 H new ATOM 0 HD2 PHE A 93 -22.843 -0.713 3.603 1.00 3.03 H new ATOM 0 HE1 PHE A 93 -19.504 0.712 6.922 1.00 30.11 H new ATOM 0 HE2 PHE A 93 -23.113 -1.344 5.962 1.00 70.00 H new ATOM 0 HZ PHE A 93 -21.445 -0.629 7.627 1.00 73.03 H new ATOM 1557 N ARG A 94 -19.499 3.483 2.556 1.00 43.34 N ATOM 1558 CA ARG A 94 -18.708 4.503 3.234 1.00 40.21 C ATOM 1559 C ARG A 94 -19.334 5.883 3.058 1.00 54.33 C ATOM 1560 O ARG A 94 -19.272 6.723 3.956 1.00 12.21 O ATOM 1561 CB ARG A 94 -17.276 4.509 2.697 1.00 44.21 C ATOM 1562 CG ARG A 94 -16.333 3.597 3.465 1.00 12.02 C ATOM 1563 CD ARG A 94 -15.911 2.400 2.628 1.00 62.11 C ATOM 1564 NE ARG A 94 -16.729 1.222 2.905 1.00 50.33 N ATOM 1565 CZ ARG A 94 -16.349 -0.019 2.624 1.00 23.24 C ATOM 1566 NH1 ARG A 94 -15.169 -0.244 2.063 1.00 41.23 N ATOM 1567 NH2 ARG A 94 -17.149 -1.039 2.906 1.00 32.24 N ATOM 0 H ARG A 94 -19.018 3.020 1.784 1.00 43.34 H new ATOM 0 HA ARG A 94 -18.689 4.264 4.297 1.00 40.21 H new ATOM 0 HB2 ARG A 94 -17.288 4.206 1.650 1.00 44.21 H new ATOM 0 HB3 ARG A 94 -16.889 5.528 2.729 1.00 44.21 H new ATOM 0 HG2 ARG A 94 -15.450 4.159 3.770 1.00 12.02 H new ATOM 0 HG3 ARG A 94 -16.821 3.251 4.376 1.00 12.02 H new ATOM 0 HD2 ARG A 94 -15.986 2.653 1.570 1.00 62.11 H new ATOM 0 HD3 ARG A 94 -14.864 2.169 2.827 1.00 62.11 H new ATOM 0 HE ARG A 94 -17.642 1.360 3.338 1.00 50.33 H new ATOM 0 HH11 ARG A 94 -14.550 0.537 1.846 1.00 41.23 H new ATOM 0 HH12 ARG A 94 -14.880 -1.198 1.848 1.00 41.23 H new ATOM 0 HH21 ARG A 94 -18.057 -0.870 3.339 1.00 32.24 H new ATOM 0 HH22 ARG A 94 -16.856 -1.992 2.690 1.00 32.24 H new ATOM 1581 N ILE A 95 -19.937 6.110 1.895 1.00 24.12 N ATOM 1582 CA ILE A 95 -20.574 7.387 1.602 1.00 54.40 C ATOM 1583 C ILE A 95 -21.924 7.501 2.302 1.00 54.22 C ATOM 1584 O ILE A 95 -22.397 8.602 2.588 1.00 1.21 O ATOM 1585 CB ILE A 95 -20.776 7.582 0.088 1.00 61.45 C ATOM 1586 CG1 ILE A 95 -19.431 7.824 -0.601 1.00 71.21 C ATOM 1587 CG2 ILE A 95 -21.728 8.738 -0.176 1.00 51.51 C ATOM 1588 CD1 ILE A 95 -19.490 7.688 -2.106 1.00 40.05 C ATOM 0 H ILE A 95 -19.997 5.426 1.141 1.00 24.12 H new ATOM 0 HA ILE A 95 -19.907 8.165 1.974 1.00 54.40 H new ATOM 0 HB ILE A 95 -21.216 6.674 -0.324 1.00 61.45 H new ATOM 0 HG12 ILE A 95 -19.077 8.823 -0.348 1.00 71.21 H new ATOM 0 HG13 ILE A 95 -18.699 7.118 -0.209 1.00 71.21 H new ATOM 0 HG21 ILE A 95 -21.860 8.862 -1.251 1.00 51.51 H new ATOM 0 HG22 ILE A 95 -22.693 8.528 0.286 1.00 51.51 H new ATOM 0 HG23 ILE A 95 -21.315 9.654 0.247 1.00 51.51 H new ATOM 0 HD11 ILE A 95 -18.502 7.873 -2.527 1.00 40.05 H new ATOM 0 HD12 ILE A 95 -19.813 6.681 -2.368 1.00 40.05 H new ATOM 0 HD13 ILE A 95 -20.197 8.413 -2.509 1.00 40.05 H new ATOM 1600 N LEU A 96 -22.540 6.357 2.576 1.00 34.25 N ATOM 1601 CA LEU A 96 -23.836 6.327 3.245 1.00 35.24 C ATOM 1602 C LEU A 96 -23.666 6.239 4.759 1.00 73.44 C ATOM 1603 O LEU A 96 -24.629 6.386 5.512 1.00 14.52 O ATOM 1604 CB LEU A 96 -24.664 5.142 2.744 1.00 51.21 C ATOM 1605 CG LEU A 96 -25.427 5.362 1.437 1.00 33.12 C ATOM 1606 CD1 LEU A 96 -26.169 4.097 1.033 1.00 44.11 C ATOM 1607 CD2 LEU A 96 -26.395 6.529 1.574 1.00 22.54 C ATOM 0 H LEU A 96 -22.163 5.438 2.345 1.00 34.25 H new ATOM 0 HA LEU A 96 -24.360 7.254 3.010 1.00 35.24 H new ATOM 0 HB2 LEU A 96 -23.999 4.289 2.614 1.00 51.21 H new ATOM 0 HB3 LEU A 96 -25.381 4.872 3.519 1.00 51.21 H new ATOM 0 HG LEU A 96 -24.707 5.603 0.655 1.00 33.12 H new ATOM 0 HD11 LEU A 96 -26.706 4.272 0.101 1.00 44.11 H new ATOM 0 HD12 LEU A 96 -25.455 3.285 0.893 1.00 44.11 H new ATOM 0 HD13 LEU A 96 -26.878 3.826 1.815 1.00 44.11 H new ATOM 0 HD21 LEU A 96 -26.929 6.671 0.634 1.00 22.54 H new ATOM 0 HD22 LEU A 96 -27.110 6.317 2.369 1.00 22.54 H new ATOM 0 HD23 LEU A 96 -25.840 7.435 1.816 1.00 22.54 H new ATOM 1619 N LEU A 97 -22.436 5.999 5.197 1.00 24.13 N ATOM 1620 CA LEU A 97 -22.138 5.893 6.622 1.00 41.35 C ATOM 1621 C LEU A 97 -22.860 6.981 7.411 1.00 64.03 C ATOM 1622 O LEU A 97 -23.192 8.045 6.888 1.00 71.24 O ATOM 1623 CB LEU A 97 -20.630 5.993 6.856 1.00 24.31 C ATOM 1624 CG LEU A 97 -19.838 4.695 6.691 1.00 2.03 C ATOM 1625 CD1 LEU A 97 -18.343 4.969 6.758 1.00 54.44 C ATOM 1626 CD2 LEU A 97 -20.244 3.684 7.753 1.00 21.25 C ATOM 0 H LEU A 97 -21.628 5.874 4.587 1.00 24.13 H new ATOM 0 HA LEU A 97 -22.490 4.922 6.971 1.00 41.35 H new ATOM 0 HB2 LEU A 97 -20.224 6.733 6.167 1.00 24.31 H new ATOM 0 HB3 LEU A 97 -20.463 6.371 7.865 1.00 24.31 H new ATOM 0 HG LEU A 97 -20.066 4.275 5.711 1.00 2.03 H new ATOM 0 HD11 LEU A 97 -17.796 4.034 6.639 1.00 54.44 H new ATOM 0 HD12 LEU A 97 -18.063 5.657 5.961 1.00 54.44 H new ATOM 0 HD13 LEU A 97 -18.097 5.412 7.723 1.00 54.44 H new ATOM 0 HD21 LEU A 97 -19.670 2.767 7.620 1.00 21.25 H new ATOM 0 HD22 LEU A 97 -20.046 4.096 8.742 1.00 21.25 H new ATOM 0 HD23 LEU A 97 -21.307 3.464 7.658 1.00 21.25 H new ATOM 1638 N PRO A 98 -23.106 6.711 8.701 1.00 15.01 N ATOM 1639 CA PRO A 98 -23.789 7.655 9.591 1.00 45.40 C ATOM 1640 C PRO A 98 -22.931 8.875 9.909 1.00 44.31 C ATOM 1641 O PRO A 98 -23.437 9.994 10.007 1.00 25.52 O ATOM 1642 CB PRO A 98 -24.038 6.833 10.857 1.00 32.43 C ATOM 1643 CG PRO A 98 -22.983 5.781 10.840 1.00 4.53 C ATOM 1644 CD PRO A 98 -22.738 5.463 9.391 1.00 14.31 C ATOM 0 HA PRO A 98 -24.697 8.055 9.141 1.00 45.40 H new ATOM 0 HB2 PRO A 98 -23.965 7.452 11.751 1.00 32.43 H new ATOM 0 HB3 PRO A 98 -25.035 6.393 10.854 1.00 32.43 H new ATOM 0 HG2 PRO A 98 -22.071 6.135 11.321 1.00 4.53 H new ATOM 0 HG3 PRO A 98 -23.307 4.894 11.385 1.00 4.53 H new ATOM 0 HD2 PRO A 98 -21.697 5.195 9.209 1.00 14.31 H new ATOM 0 HD3 PRO A 98 -23.347 4.624 9.055 1.00 14.31 H new ATOM 1652 N TYR A 99 -21.631 8.653 10.068 1.00 3.21 N ATOM 1653 CA TYR A 99 -20.703 9.735 10.377 1.00 63.41 C ATOM 1654 C TYR A 99 -20.535 10.667 9.181 1.00 73.10 C ATOM 1655 O TYR A 99 -20.555 11.889 9.326 1.00 64.32 O ATOM 1656 CB TYR A 99 -19.344 9.166 10.789 1.00 3.41 C ATOM 1657 CG TYR A 99 -19.437 8.045 11.799 1.00 73.23 C ATOM 1658 CD1 TYR A 99 -19.702 8.309 13.137 1.00 23.01 C ATOM 1659 CD2 TYR A 99 -19.260 6.721 11.415 1.00 53.31 C ATOM 1660 CE1 TYR A 99 -19.787 7.288 14.063 1.00 35.44 C ATOM 1661 CE2 TYR A 99 -19.346 5.694 12.334 1.00 63.40 C ATOM 1662 CZ TYR A 99 -19.609 5.982 13.657 1.00 73.31 C ATOM 1663 OH TYR A 99 -19.694 4.961 14.576 1.00 63.23 O ATOM 0 H TYR A 99 -21.196 7.734 9.988 1.00 3.21 H new ATOM 0 HA TYR A 99 -21.116 10.309 11.206 1.00 63.41 H new ATOM 0 HB2 TYR A 99 -18.828 8.801 9.901 1.00 3.41 H new ATOM 0 HB3 TYR A 99 -18.735 9.968 11.205 1.00 3.41 H new ATOM 0 HD1 TYR A 99 -19.844 9.330 13.458 1.00 23.01 H new ATOM 0 HD2 TYR A 99 -19.052 6.492 10.380 1.00 53.31 H new ATOM 0 HE1 TYR A 99 -19.992 7.511 15.100 1.00 35.44 H new ATOM 0 HE2 TYR A 99 -19.208 4.670 12.018 1.00 63.40 H new ATOM 0 HH TYR A 99 -19.545 4.103 14.126 1.00 63.23 H new ATOM 1673 N GLU A 100 -20.372 10.080 8.000 1.00 65.24 N ATOM 1674 CA GLU A 100 -20.200 10.857 6.778 1.00 55.50 C ATOM 1675 C GLU A 100 -21.469 11.639 6.448 1.00 32.32 C ATOM 1676 O GLU A 100 -21.418 12.836 6.167 1.00 0.21 O ATOM 1677 CB GLU A 100 -19.835 9.940 5.609 1.00 34.55 C ATOM 1678 CG GLU A 100 -19.320 10.683 4.389 1.00 3.51 C ATOM 1679 CD GLU A 100 -20.423 11.030 3.408 1.00 64.43 C ATOM 1680 OE1 GLU A 100 -21.191 11.973 3.689 1.00 75.22 O ATOM 1681 OE2 GLU A 100 -20.517 10.358 2.359 1.00 32.25 O ATOM 0 H GLU A 100 -20.355 9.069 7.863 1.00 65.24 H new ATOM 0 HA GLU A 100 -19.388 11.566 6.941 1.00 55.50 H new ATOM 0 HB2 GLU A 100 -19.076 9.230 5.939 1.00 34.55 H new ATOM 0 HB3 GLU A 100 -20.713 9.359 5.326 1.00 34.55 H new ATOM 0 HG2 GLU A 100 -18.823 11.598 4.709 1.00 3.51 H new ATOM 0 HG3 GLU A 100 -18.570 10.072 3.886 1.00 3.51 H new ATOM 1688 N ARG A 101 -22.606 10.952 6.484 1.00 32.34 N ATOM 1689 CA ARG A 101 -23.888 11.580 6.188 1.00 71.31 C ATOM 1690 C ARG A 101 -24.214 12.661 7.214 1.00 31.21 C ATOM 1691 O ARG A 101 -24.799 13.692 6.881 1.00 43.14 O ATOM 1692 CB ARG A 101 -25.001 10.530 6.165 1.00 12.45 C ATOM 1693 CG ARG A 101 -25.366 10.000 7.542 1.00 13.55 C ATOM 1694 CD ARG A 101 -26.434 8.921 7.459 1.00 52.13 C ATOM 1695 NE ARG A 101 -27.394 9.014 8.556 1.00 41.43 N ATOM 1696 CZ ARG A 101 -28.513 8.302 8.615 1.00 33.34 C ATOM 1697 NH1 ARG A 101 -28.812 7.448 7.646 1.00 22.43 N ATOM 1698 NH2 ARG A 101 -29.336 8.442 9.647 1.00 55.34 N ATOM 0 H ARG A 101 -22.666 9.960 6.715 1.00 32.34 H new ATOM 0 HA ARG A 101 -23.818 12.046 5.205 1.00 71.31 H new ATOM 0 HB2 ARG A 101 -25.889 10.964 5.705 1.00 12.45 H new ATOM 0 HB3 ARG A 101 -24.690 9.697 5.535 1.00 12.45 H new ATOM 0 HG2 ARG A 101 -24.476 9.596 8.025 1.00 13.55 H new ATOM 0 HG3 ARG A 101 -25.723 10.820 8.166 1.00 13.55 H new ATOM 0 HD2 ARG A 101 -26.961 9.005 6.508 1.00 52.13 H new ATOM 0 HD3 ARG A 101 -25.960 7.940 7.475 1.00 52.13 H new ATOM 0 HE ARG A 101 -27.194 9.661 9.318 1.00 41.43 H new ATOM 0 HH11 ARG A 101 -28.181 7.336 6.852 1.00 22.43 H new ATOM 0 HH12 ARG A 101 -29.673 6.903 7.694 1.00 22.43 H new ATOM 0 HH21 ARG A 101 -29.109 9.097 10.395 1.00 55.34 H new ATOM 0 HH22 ARG A 101 -30.196 7.895 9.692 1.00 55.34 H new ATOM 1712 N HIS A 102 -23.833 12.417 8.464 1.00 3.50 N ATOM 1713 CA HIS A 102 -24.084 13.370 9.539 1.00 14.34 C ATOM 1714 C HIS A 102 -23.215 14.613 9.378 1.00 3.53 C ATOM 1715 O HIS A 102 -23.661 15.732 9.633 1.00 22.31 O ATOM 1716 CB HIS A 102 -23.819 12.720 10.898 1.00 41.44 C ATOM 1717 CG HIS A 102 -23.929 13.672 12.049 1.00 54.02 C ATOM 1718 ND1 HIS A 102 -22.842 14.091 12.786 1.00 30.11 N ATOM 1719 CD2 HIS A 102 -25.007 14.289 12.587 1.00 33.45 C ATOM 1720 CE1 HIS A 102 -23.246 14.922 13.730 1.00 55.55 C ATOM 1721 NE2 HIS A 102 -24.556 15.060 13.630 1.00 34.34 N ATOM 0 H HIS A 102 -23.350 11.568 8.757 1.00 3.50 H new ATOM 0 HA HIS A 102 -25.130 13.671 9.487 1.00 14.34 H new ATOM 0 HB2 HIS A 102 -24.525 11.903 11.044 1.00 41.44 H new ATOM 0 HB3 HIS A 102 -22.821 12.282 10.894 1.00 41.44 H new ATOM 0 HD2 HIS A 102 -26.031 14.193 12.257 1.00 33.45 H new ATOM 0 HE1 HIS A 102 -22.613 15.406 14.459 1.00 55.55 H new ATOM 0 HE2 HIS A 102 -25.138 15.644 14.230 1.00 34.34 H new ATOM 1729 N MET A 103 -21.972 14.409 8.955 1.00 43.43 N ATOM 1730 CA MET A 103 -21.040 15.514 8.760 1.00 51.35 C ATOM 1731 C MET A 103 -21.494 16.412 7.613 1.00 11.10 C ATOM 1732 O MET A 103 -21.478 17.638 7.729 1.00 61.12 O ATOM 1733 CB MET A 103 -19.634 14.980 8.479 1.00 51.52 C ATOM 1734 CG MET A 103 -18.528 15.846 9.060 1.00 51.42 C ATOM 1735 SD MET A 103 -18.271 15.556 10.821 1.00 63.55 S ATOM 1736 CE MET A 103 -16.499 15.784 10.946 1.00 64.31 C ATOM 0 H MET A 103 -21.587 13.489 8.741 1.00 43.43 H new ATOM 0 HA MET A 103 -21.020 16.105 9.675 1.00 51.35 H new ATOM 0 HB2 MET A 103 -19.548 13.973 8.887 1.00 51.52 H new ATOM 0 HB3 MET A 103 -19.493 14.900 7.401 1.00 51.52 H new ATOM 0 HG2 MET A 103 -17.599 15.650 8.524 1.00 51.42 H new ATOM 0 HG3 MET A 103 -18.773 16.896 8.901 1.00 51.42 H new ATOM 0 HE1 MET A 103 -16.185 15.637 11.979 1.00 64.31 H new ATOM 0 HE2 MET A 103 -15.993 15.061 10.307 1.00 64.31 H new ATOM 0 HE3 MET A 103 -16.239 16.794 10.628 1.00 64.31 H new ATOM 1746 N ILE A 104 -21.898 15.795 6.508 1.00 21.51 N ATOM 1747 CA ILE A 104 -22.357 16.539 5.342 1.00 62.22 C ATOM 1748 C ILE A 104 -23.794 17.016 5.524 1.00 24.44 C ATOM 1749 O ILE A 104 -24.262 17.897 4.804 1.00 12.23 O ATOM 1750 CB ILE A 104 -22.269 15.688 4.061 1.00 41.22 C ATOM 1751 CG1 ILE A 104 -23.290 14.550 4.107 1.00 32.03 C ATOM 1752 CG2 ILE A 104 -20.861 15.138 3.886 1.00 34.53 C ATOM 1753 CD1 ILE A 104 -24.334 14.629 3.015 1.00 44.41 C ATOM 0 H ILE A 104 -21.917 14.781 6.396 1.00 21.51 H new ATOM 0 HA ILE A 104 -21.700 17.403 5.241 1.00 62.22 H new ATOM 0 HB ILE A 104 -22.499 16.322 3.205 1.00 41.22 H new ATOM 0 HG12 ILE A 104 -22.765 13.598 4.028 1.00 32.03 H new ATOM 0 HG13 ILE A 104 -23.789 14.559 5.076 1.00 32.03 H new ATOM 0 HG21 ILE A 104 -20.815 14.539 2.977 1.00 34.53 H new ATOM 0 HG22 ILE A 104 -20.154 15.964 3.812 1.00 34.53 H new ATOM 0 HG23 ILE A 104 -20.604 14.516 4.744 1.00 34.53 H new ATOM 0 HD11 ILE A 104 -25.024 13.790 3.110 1.00 44.41 H new ATOM 0 HD12 ILE A 104 -24.886 15.565 3.106 1.00 44.41 H new ATOM 0 HD13 ILE A 104 -23.846 14.589 2.041 1.00 44.41 H new ATOM 1765 N SER A 105 -24.488 16.428 6.494 1.00 62.13 N ATOM 1766 CA SER A 105 -25.873 16.791 6.770 1.00 4.24 C ATOM 1767 C SER A 105 -25.965 18.222 7.291 1.00 13.22 C ATOM 1768 O SER A 105 -26.947 18.921 7.043 1.00 13.22 O ATOM 1769 CB SER A 105 -26.482 15.825 7.789 1.00 43.43 C ATOM 1770 OG SER A 105 -27.524 16.446 8.520 1.00 14.42 O ATOM 0 H SER A 105 -24.114 15.699 7.101 1.00 62.13 H new ATOM 0 HA SER A 105 -26.433 16.725 5.837 1.00 4.24 H new ATOM 0 HB2 SER A 105 -26.869 14.945 7.275 1.00 43.43 H new ATOM 0 HB3 SER A 105 -25.708 15.479 8.475 1.00 43.43 H new ATOM 0 HG SER A 105 -27.898 15.808 9.163 1.00 14.42 H new ATOM 1776 N GLN A 106 -24.935 18.650 8.014 1.00 32.11 N ATOM 1777 CA GLN A 106 -24.900 19.997 8.571 1.00 53.12 C ATOM 1778 C GLN A 106 -25.088 21.043 7.477 1.00 50.20 C ATOM 1779 O GLN A 106 -25.735 22.068 7.690 1.00 3.04 O ATOM 1780 CB GLN A 106 -23.577 20.236 9.300 1.00 11.20 C ATOM 1781 CG GLN A 106 -23.750 20.696 10.739 1.00 63.33 C ATOM 1782 CD GLN A 106 -23.598 19.563 11.735 1.00 1.42 C ATOM 1783 OE1 GLN A 106 -24.579 19.094 12.313 1.00 3.01 O ATOM 1784 NE2 GLN A 106 -22.364 19.118 11.942 1.00 73.31 N ATOM 0 H GLN A 106 -24.114 18.084 8.228 1.00 32.11 H new ATOM 0 HA GLN A 106 -25.720 20.090 9.283 1.00 53.12 H new ATOM 0 HB2 GLN A 106 -22.994 19.315 9.289 1.00 11.20 H new ATOM 0 HB3 GLN A 106 -23.001 20.984 8.755 1.00 11.20 H new ATOM 0 HG2 GLN A 106 -23.015 21.470 10.960 1.00 63.33 H new ATOM 0 HG3 GLN A 106 -24.735 21.148 10.856 1.00 63.33 H new ATOM 0 HE21 GLN A 106 -21.580 19.536 11.441 1.00 73.31 H new ATOM 0 HE22 GLN A 106 -22.200 18.358 12.602 1.00 73.31 H new ATOM 1793 N GLU A 107 -24.518 20.777 6.306 1.00 23.20 N ATOM 1794 CA GLU A 107 -24.622 21.697 5.179 1.00 20.25 C ATOM 1795 C GLU A 107 -25.439 21.080 4.047 1.00 2.44 C ATOM 1796 O GLU A 107 -25.306 21.470 2.888 1.00 21.11 O ATOM 1797 CB GLU A 107 -23.229 22.075 4.671 1.00 54.21 C ATOM 1798 CG GLU A 107 -23.107 23.533 4.259 1.00 31.40 C ATOM 1799 CD GLU A 107 -23.302 24.486 5.422 1.00 21.11 C ATOM 1800 OE1 GLU A 107 -23.070 24.068 6.576 1.00 42.10 O ATOM 1801 OE2 GLU A 107 -23.686 25.649 5.179 1.00 74.30 O ATOM 0 H GLU A 107 -23.980 19.932 6.113 1.00 23.20 H new ATOM 0 HA GLU A 107 -25.132 22.597 5.523 1.00 20.25 H new ATOM 0 HB2 GLU A 107 -22.497 21.864 5.451 1.00 54.21 H new ATOM 0 HB3 GLU A 107 -22.978 21.443 3.819 1.00 54.21 H new ATOM 0 HG2 GLU A 107 -22.125 23.701 3.817 1.00 31.40 H new ATOM 0 HG3 GLU A 107 -23.845 23.752 3.487 1.00 31.40 H new ATOM 1808 N GLY A 108 -26.285 20.115 4.394 1.00 64.55 N ATOM 1809 CA GLY A 108 -27.110 19.459 3.396 1.00 30.22 C ATOM 1810 C GLY A 108 -28.136 18.529 4.013 1.00 22.21 C ATOM 1811 O GLY A 108 -28.271 17.379 3.595 1.00 73.42 O ATOM 0 H GLY A 108 -26.414 19.776 5.347 1.00 64.55 H new ATOM 0 HA2 GLY A 108 -27.621 20.214 2.798 1.00 30.22 H new ATOM 0 HA3 GLY A 108 -26.472 18.893 2.717 1.00 30.22 H new ATOM 1815 N ILE A 109 -28.859 19.026 5.011 1.00 44.21 N ATOM 1816 CA ILE A 109 -29.877 18.231 5.686 1.00 5.14 C ATOM 1817 C ILE A 109 -30.917 17.716 4.698 1.00 60.40 C ATOM 1818 O ILE A 109 -31.583 16.711 4.948 1.00 71.20 O ATOM 1819 CB ILE A 109 -30.587 19.043 6.786 1.00 71.33 C ATOM 1820 CG1 ILE A 109 -31.030 20.402 6.241 1.00 51.03 C ATOM 1821 CG2 ILE A 109 -29.672 19.221 7.988 1.00 62.31 C ATOM 1822 CD1 ILE A 109 -32.004 21.126 7.143 1.00 14.40 C ATOM 0 H ILE A 109 -28.759 19.975 5.370 1.00 44.21 H new ATOM 0 HA ILE A 109 -29.365 17.385 6.144 1.00 5.14 H new ATOM 0 HB ILE A 109 -31.473 18.495 7.107 1.00 71.33 H new ATOM 0 HG12 ILE A 109 -30.151 21.029 6.092 1.00 51.03 H new ATOM 0 HG13 ILE A 109 -31.490 20.260 5.263 1.00 51.03 H new ATOM 0 HG21 ILE A 109 -30.188 19.797 8.756 1.00 62.31 H new ATOM 0 HG22 ILE A 109 -29.402 18.244 8.387 1.00 62.31 H new ATOM 0 HG23 ILE A 109 -28.769 19.751 7.683 1.00 62.31 H new ATOM 0 HD11 ILE A 109 -32.275 22.082 6.694 1.00 14.40 H new ATOM 0 HD12 ILE A 109 -32.900 20.519 7.272 1.00 14.40 H new ATOM 0 HD13 ILE A 109 -31.540 21.300 8.114 1.00 14.40 H new ATOM 1834 N LYS A 110 -31.051 18.409 3.573 1.00 44.33 N ATOM 1835 CA LYS A 110 -32.007 18.021 2.543 1.00 15.21 C ATOM 1836 C LYS A 110 -31.744 16.597 2.064 1.00 2.22 C ATOM 1837 O LYS A 110 -32.652 15.914 1.593 1.00 61.24 O ATOM 1838 CB LYS A 110 -31.936 18.990 1.360 1.00 32.24 C ATOM 1839 CG LYS A 110 -33.056 20.016 1.347 1.00 44.25 C ATOM 1840 CD LYS A 110 -33.001 20.918 2.568 1.00 21.35 C ATOM 1841 CE LYS A 110 -34.193 21.861 2.619 1.00 1.10 C ATOM 1842 NZ LYS A 110 -33.965 22.993 3.559 1.00 2.22 N ATOM 0 H LYS A 110 -30.509 19.244 3.351 1.00 44.33 H new ATOM 0 HA LYS A 110 -33.006 18.060 2.977 1.00 15.21 H new ATOM 0 HB2 LYS A 110 -30.978 19.510 1.384 1.00 32.24 H new ATOM 0 HB3 LYS A 110 -31.966 18.420 0.432 1.00 32.24 H new ATOM 0 HG2 LYS A 110 -32.986 20.621 0.443 1.00 44.25 H new ATOM 0 HG3 LYS A 110 -34.018 19.505 1.314 1.00 44.25 H new ATOM 0 HD2 LYS A 110 -32.979 20.308 3.471 1.00 21.35 H new ATOM 0 HD3 LYS A 110 -32.078 21.497 2.552 1.00 21.35 H new ATOM 0 HE2 LYS A 110 -34.390 22.252 1.621 1.00 1.10 H new ATOM 0 HE3 LYS A 110 -35.081 21.308 2.925 1.00 1.10 H new ATOM 0 HZ1 LYS A 110 -34.800 23.613 3.565 1.00 2.22 H new ATOM 0 HZ2 LYS A 110 -33.802 22.622 4.517 1.00 2.22 H new ATOM 0 HZ3 LYS A 110 -33.133 23.536 3.253 1.00 2.22 H new ATOM 1856 N GLU A 111 -30.496 16.157 2.190 1.00 22.32 N ATOM 1857 CA GLU A 111 -30.115 14.813 1.770 1.00 4.43 C ATOM 1858 C GLU A 111 -30.604 13.771 2.772 1.00 62.04 C ATOM 1859 O GLU A 111 -30.818 12.610 2.422 1.00 31.44 O ATOM 1860 CB GLU A 111 -28.595 14.715 1.616 1.00 14.12 C ATOM 1861 CG GLU A 111 -28.136 14.596 0.173 1.00 54.33 C ATOM 1862 CD GLU A 111 -26.653 14.864 0.008 1.00 10.52 C ATOM 1863 OE1 GLU A 111 -26.129 15.751 0.715 1.00 53.33 O ATOM 1864 OE2 GLU A 111 -26.016 14.189 -0.826 1.00 72.54 O ATOM 0 H GLU A 111 -29.732 16.710 2.579 1.00 22.32 H new ATOM 0 HA GLU A 111 -30.584 14.614 0.807 1.00 4.43 H new ATOM 0 HB2 GLU A 111 -28.135 15.596 2.063 1.00 14.12 H new ATOM 0 HB3 GLU A 111 -28.237 13.851 2.175 1.00 14.12 H new ATOM 0 HG2 GLU A 111 -28.364 13.596 -0.195 1.00 54.33 H new ATOM 0 HG3 GLU A 111 -28.699 15.298 -0.442 1.00 54.33 H new ATOM 1871 N THR A 112 -30.778 14.194 4.020 1.00 52.01 N ATOM 1872 CA THR A 112 -31.240 13.299 5.073 1.00 60.51 C ATOM 1873 C THR A 112 -32.675 12.848 4.822 1.00 44.41 C ATOM 1874 O THR A 112 -32.978 11.657 4.873 1.00 71.11 O ATOM 1875 CB THR A 112 -31.159 13.970 6.457 1.00 72.02 C ATOM 1876 OG1 THR A 112 -29.882 14.596 6.624 1.00 72.20 O ATOM 1877 CG2 THR A 112 -31.380 12.952 7.566 1.00 41.22 C ATOM 0 H THR A 112 -30.606 15.152 4.326 1.00 52.01 H new ATOM 0 HA THR A 112 -30.582 12.430 5.060 1.00 60.51 H new ATOM 0 HB THR A 112 -31.943 14.725 6.517 1.00 72.02 H new ATOM 0 HG1 THR A 112 -29.839 15.022 7.506 1.00 72.20 H new ATOM 0 HG21 THR A 112 -31.318 13.449 8.534 1.00 41.22 H new ATOM 0 HG22 THR A 112 -32.365 12.499 7.453 1.00 41.22 H new ATOM 0 HG23 THR A 112 -30.615 12.177 7.507 1.00 41.22 H new ATOM 1885 N GLN A 113 -33.552 13.809 4.550 1.00 33.14 N ATOM 1886 CA GLN A 113 -34.956 13.510 4.291 1.00 23.44 C ATOM 1887 C GLN A 113 -35.106 12.633 3.052 1.00 3.33 C ATOM 1888 O GLN A 113 -36.109 11.939 2.889 1.00 42.42 O ATOM 1889 CB GLN A 113 -35.751 14.804 4.114 1.00 2.43 C ATOM 1890 CG GLN A 113 -37.025 14.854 4.942 1.00 70.22 C ATOM 1891 CD GLN A 113 -37.449 16.270 5.276 1.00 54.42 C ATOM 1892 OE1 GLN A 113 -37.957 16.997 4.421 1.00 72.53 O ATOM 1893 NE2 GLN A 113 -37.243 16.672 6.525 1.00 72.53 N ATOM 0 H GLN A 113 -33.316 14.800 4.503 1.00 33.14 H new ATOM 0 HA GLN A 113 -35.350 12.965 5.149 1.00 23.44 H new ATOM 0 HB2 GLN A 113 -35.118 15.649 4.385 1.00 2.43 H new ATOM 0 HB3 GLN A 113 -36.007 14.922 3.061 1.00 2.43 H new ATOM 0 HG2 GLN A 113 -37.828 14.358 4.397 1.00 70.22 H new ATOM 0 HG3 GLN A 113 -36.875 14.296 5.866 1.00 70.22 H new ATOM 0 HE21 GLN A 113 -36.819 16.037 7.202 1.00 72.53 H new ATOM 0 HE22 GLN A 113 -37.509 17.615 6.807 1.00 72.53 H new ATOM 1902 N ALA A 114 -34.102 12.671 2.182 1.00 20.41 N ATOM 1903 CA ALA A 114 -34.122 11.879 0.959 1.00 62.44 C ATOM 1904 C ALA A 114 -33.933 10.396 1.261 1.00 31.03 C ATOM 1905 O ALA A 114 -34.388 9.535 0.508 1.00 64.12 O ATOM 1906 CB ALA A 114 -33.046 12.364 -0.002 1.00 13.21 C ATOM 0 H ALA A 114 -33.265 13.242 2.302 1.00 20.41 H new ATOM 0 HA ALA A 114 -35.098 12.006 0.490 1.00 62.44 H new ATOM 0 HB1 ALA A 114 -33.073 11.763 -0.911 1.00 13.21 H new ATOM 0 HB2 ALA A 114 -33.226 13.409 -0.252 1.00 13.21 H new ATOM 0 HB3 ALA A 114 -32.068 12.267 0.468 1.00 13.21 H new ATOM 1912 N LYS A 115 -33.259 10.104 2.369 1.00 52.04 N ATOM 1913 CA LYS A 115 -33.010 8.725 2.772 1.00 12.32 C ATOM 1914 C LYS A 115 -33.779 8.384 4.045 1.00 61.54 C ATOM 1915 O LYS A 115 -34.270 9.272 4.742 1.00 60.44 O ATOM 1916 CB LYS A 115 -31.513 8.499 2.992 1.00 3.11 C ATOM 1917 CG LYS A 115 -30.687 8.618 1.723 1.00 43.40 C ATOM 1918 CD LYS A 115 -29.914 9.926 1.681 1.00 13.33 C ATOM 1919 CE LYS A 115 -28.603 9.775 0.926 1.00 4.04 C ATOM 1920 NZ LYS A 115 -28.718 10.236 -0.485 1.00 13.52 N ATOM 0 H LYS A 115 -32.876 10.804 3.004 1.00 52.04 H new ATOM 0 HA LYS A 115 -33.356 8.070 1.972 1.00 12.32 H new ATOM 0 HB2 LYS A 115 -31.148 9.222 3.722 1.00 3.11 H new ATOM 0 HB3 LYS A 115 -31.363 7.509 3.422 1.00 3.11 H new ATOM 0 HG2 LYS A 115 -29.991 7.781 1.661 1.00 43.40 H new ATOM 0 HG3 LYS A 115 -31.342 8.553 0.854 1.00 43.40 H new ATOM 0 HD2 LYS A 115 -30.523 10.694 1.205 1.00 13.33 H new ATOM 0 HD3 LYS A 115 -29.713 10.264 2.698 1.00 13.33 H new ATOM 0 HE2 LYS A 115 -27.825 10.346 1.432 1.00 4.04 H new ATOM 0 HE3 LYS A 115 -28.293 8.730 0.942 1.00 4.04 H new ATOM 0 HZ1 LYS A 115 -27.803 10.116 -0.965 1.00 13.52 H new ATOM 0 HZ2 LYS A 115 -29.443 9.674 -0.976 1.00 13.52 H new ATOM 0 HZ3 LYS A 115 -28.989 11.240 -0.501 1.00 13.52 H new ATOM 1934 N ARG A 116 -33.878 7.092 4.342 1.00 41.01 N ATOM 1935 CA ARG A 116 -34.586 6.634 5.531 1.00 75.22 C ATOM 1936 C ARG A 116 -33.614 6.381 6.679 1.00 34.04 C ATOM 1937 O ARG A 116 -33.353 7.269 7.491 1.00 33.23 O ATOM 1938 CB ARG A 116 -35.371 5.357 5.222 1.00 14.54 C ATOM 1939 CG ARG A 116 -34.519 4.246 4.631 1.00 54.40 C ATOM 1940 CD ARG A 116 -34.575 2.988 5.483 1.00 52.01 C ATOM 1941 NE ARG A 116 -33.996 1.836 4.797 1.00 41.33 N ATOM 1942 CZ ARG A 116 -33.692 0.695 5.405 1.00 75.15 C ATOM 1943 NH1 ARG A 116 -33.913 0.553 6.704 1.00 3.13 N ATOM 1944 NH2 ARG A 116 -33.168 -0.308 4.712 1.00 71.11 N ATOM 0 H ARG A 116 -33.477 6.345 3.776 1.00 41.01 H new ATOM 0 HA ARG A 116 -35.282 7.417 5.833 1.00 75.22 H new ATOM 0 HB2 ARG A 116 -35.838 4.997 6.139 1.00 14.54 H new ATOM 0 HB3 ARG A 116 -36.176 5.595 4.527 1.00 14.54 H new ATOM 0 HG2 ARG A 116 -34.864 4.019 3.622 1.00 54.40 H new ATOM 0 HG3 ARG A 116 -33.486 4.584 4.546 1.00 54.40 H new ATOM 0 HD2 ARG A 116 -34.041 3.159 6.418 1.00 52.01 H new ATOM 0 HD3 ARG A 116 -35.611 2.772 5.743 1.00 52.01 H new ATOM 0 HE ARG A 116 -33.815 1.912 3.796 1.00 41.33 H new ATOM 0 HH11 ARG A 116 -34.318 1.321 7.239 1.00 3.13 H new ATOM 0 HH12 ARG A 116 -33.679 -0.324 7.168 1.00 3.13 H new ATOM 0 HH21 ARG A 116 -32.998 -0.203 3.712 1.00 71.11 H new ATOM 0 HH22 ARG A 116 -32.935 -1.184 5.180 1.00 71.11 H new TER 1958 ARG A 116